XRD 12 ID = 10048<br><br />
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####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_topas_cif_out
_audit_block_doi                 10.5517/ccdc.csd.cc28xj0r
_database_code_depnum_ccdc_archive 'CCDC 2112774'
loop_
_audit_author_name
_audit_author_address
'Jian Li'
;Stockholm University
Sweden
;
_audit_update_record             
;
2021-09-28 deposited with the CCDC.	2021-10-04 downloaded from the CCDC.
;
_chemical_name_mineral           ??
_cell_length_a                   43.4612(6)
_cell_length_b                   43.4612(6)
_cell_length_c                   24.9754(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     47175(2)
_symmetry_space_group_name_H-M   I41/amd
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, z '
'-x+1/2, -y+1/2, z+1/2 '
'-x+1/2, y, -z-1/4 '
'-y, -x, -z '
'-y, x+1/2, z+1/4 '
'-y+1/2, -x, z-1/4 '
'-y+1/2, x+1/2, -z+1/2 '
'y, -x, -z '
'y, x+1/2, z+1/4 '
'y+1/2, -x, z-1/4 '
'y+1/2, x+1/2, -z+1/2 '
'x, -y+1/2, -z+1/4 '
'-x, -y+1/2, -z+1/4 '
'x+1/2, -y+1/2, z+1/2 '
'x+1/2, y, -z-1/4 '
'x+1/2, y+1/2, z+1/2 '
'-x+1/2, y+1/2, z+1/2 '
'-x, -y, z '
'-x, y+1/2, -z+1/4 '
'-y+1/2, -x+1/2, -z+1/2 '
'-y+1/2, x, z-1/4 '
'-y, -x+1/2, z+1/4 '
'-y, x, -z '
'y+1/2, -x+1/2, -z+1/2 '
'y+1/2, x, z-1/4 '
'y, -x+1/2, z+1/4 '
'y, x, -z '
'x+1/2, -y, -z-1/4 '
'-x+1/2, -y, -z-1/4 '
'x, -y, z '
'x, y+1/2, -z+1/4 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Si01 Si 32 0.2493(3) 0.8597(3) 0.7470(6) 1 0.568(7)
Si03 Si 32 0.1910(4) 0.7718(3) 0.8054(6) 1 0.568(7)
Si04 Si 32 0.0945(3) 0.7727(3) 0.9151(7) 1 0.568(7)
Si05 Si 32 0.0603(3) 0.2519(3) 0.7506(7) 1 0.568(7)
Si06 Si 32 0.1205(3) 0.7728(4) 0.8005(8) 1 0.568(7)
Si08 Si 32 0.0352(3) 0.3089(4) 0.6936(7) 1 0.568(7)
Si09 Si 32 0.3444(3) 0.8045(3) 0.6800(6) 1 0.568(7)
Si11 Si 32 0.1909(4) 0.8454(4) 0.8077(6) 1 0.568(7)
Si12 Si 32 0.1212(3) 0.8436(4) 0.7997(7) 1 0.568(7)
Si13 Si 32 0.0618(3) 0.8627(3) 0.7467(6) 1 0.568(7)
Si14 Si 32 0.2702(3) 0.8034(3) 0.6773(6) 1 0.568(7)
Si15 Si 32 0.0367(3) 0.8050(4) 0.6832(5) 1 0.568(7)
Si16 Si 32 0.0940(3) 0.8429(4) 0.9141(7) 1 0.568(7)
Si17 Si 32 0.0352(4) 0.9074(3) 0.6685(7) 1 0.568(7)
Si18 Si 32 0.0354(3) 0.3797(4) 0.6974(8) 1 0.568(7)
Si19 Si 32 0.0342(3) 0.7723(3) 0.8575(7) 1 0.568(7)
Si20 Si 32 0.0361(3) 0.4662(4) 0.6433(7) 1 0.568(7)
Si21 Si 32 0.0342(3) 0.8448(3) 0.8561(6) 1 0.568(7)
Si02 Si 16 0.2494(3) 0.2494(3) 0.5 1 0.568(7)
Si07 Si 16 0.3618(3) 0.3618(3) 0.5 1 0.568(7)
Si10 Si 16 0.0621(3) 0.0621(3) 0.5 1 0.568(7)
O2 O 32 0.2139(7) 0.7543(6) 0.7656(3) 1 0.682(8)
O3 O 32 0.2160(7) 0.8633(6) 0.7725(2) 1 0.682(8)
O4 O 32 0.0561(8) 0.2861(8) 0.7274(2) 1 0.682(8)
O5 O 32 0.1965(8) 0.7609(6) 0.8653(3) 1 0.682(8)
O6 O 32 0.1986(7) 0.8087(7) 0.8007(1) 1 0.682(8)
O7 O 32 0.0596(6) 0.7637(7) 0.9015(2) 1 0.682(8)
O8 O 32 0.2512(7) 0.8301(6) 0.7078(3) 1 0.682(8)
O9 O 32 0.1558(9) 0.7635(5) 0.7893(1) 1 0.682(8)
O20 O 32 0.1148(7) 0.7671(7) 0.8633(6) 1 0.682(8)
O21 O 32 0.1564(7) 0.8532(5) 0.7879(1) 1 0.682(8)
O22 O 32 0.0428(7) 0.3050(9) 0.6306(5) 1 0.682(8)
O23 O 32 0.2592(6) 0.7705(7) 0.6994(2) 1 0.682(8)
O24 O 32 0.0950(6) 0.8080(7) 0.9317(2) 1 0.682(8)
O25 O 32 0.2546(6) 0.8911(6) 0.7140(4) 1 0.682(8)
O010 O 32 0.1155(7) 0.8084(8) 0.7852(2) 1 0.682(8)
O011 O 32 0.1952(7) 0.8549(6) 0.8687(3) 1 0.682(8)
O013 O 32 0.0965(8) 0.7524(7) 0.7658(4) 1 0.682(8)
O014 O 32 0.3617(6) 0.8322(6) 0.7109(3) 1 0.682(8)
O015 O 32 0.1157(7) 0.8470(8) 0.8626(4) 1 0.682(8)
O016 O 32 0.0969(7) 0.8629(7) 0.7650(4) 1 0.682(8)
O018 O 32 0.3072(6) 0.8087(7) 0.6876(9) 1 0.682(8)
O019 O 32 0.0570(8) 0.4027(8) 0.7319(4) 1 0.682(8)
O26 O 32 0.2728(7) 0.8566(7) 0.7961(2) 1 0.682(8)
O27 O 32 0.0405(8) 0.3858(9) 0.6333(5) 1 0.682(8)
O28 O 32 0.0591(6) 0.8525(7) 0.9002(1) 1 0.682(8)
O29 O 32 0.0558(7) 0.8946(6) 0.7169(5) 1 0.682(8)
O30 O 32 0.0494(7) 0.7726(7) 0.7060(6) 1 0.682(8)
O31 O 32 0.0362(7) 0.8084(6) 0.8419(1) 1 0.682(8)
O32 O 32 0.0395(7) 0.7525(6) 0.8031(4) 1 0.682(8)
O33 O 32 0.0438(7) 0.9419(7) 0.6531(4) 1 0.682(8)
O34 O 32 0.0556(8) 0.8340(6) 0.7070(3) 1 0.682(8)
O35 O 32 0.0430(5) 0.3440(1) 0.7109(1) 1 0.682(8)
O36 O 32 0.0402(7) 0.8618(7) 0.7996(4) 1 0.682(8)
O37 O 32 0.1077(6) 0.8616(6) 0.9631(5) 1 0.682(8)
O38 O 32 0.0548(7) 0.4603(7) 0.6984(5) 1 0.682(8)
O39 O 16 0 0.3013(1) 0.7064(7) 1 0.682(8)
O40 O 16 0 0.9060(9) 0.6881(2) 1 0.682(8)
O41 O 16 0 0.8523(1) 0.8762(9) 1 0.682(8)
O42 O 16 0 0.3862(1) 0.7130(9) 1 0.682(8)
O43 O 16 0 0.4578(2) 0.876(2) 1 0.682(8)
O44 O 16 0 0.7660(2) 0.8788(8) 1 0.682(8)
O45 O 16 0 0.4631(1) 0.6590(7) 1 0.682(8)
O1 O 16 0 0.8079(1) 0.6994(4) 1 0.682(8)
C1 C 32 0.569(14) 0.631(15) 0.88(3) 0.499 12.0(5)
C2 C 32 0.599(14) 0.629(15) 0.85(3) 0.499 12.0(5)
C3 C 32 0.626(14) 0.629(16) 0.89(3) 0.499 12.0(5)
C4 C 32 0.625(15) 0.657(16) 0.92(3) 0.499 12.0(5)
C5 C 32 0.595(15) 0.659(16) 0.95(3) 0.499 12.0(5)
C6 C 32 0.569(15) 0.659(15) 0.91(3) 0.499 12.0(5)
P7 P 32 0.659(15) 0.660(16) 0.96(3) 0.499 10.0(5)
C8 C 32 0.708(15) 0.678(16) 0.90(3) 0.499 12.0(5)
C9 C 32 0.693(15) 0.650(16) 0.93(3) 0.499 12.0(5)
C10 C 32 0.686(14) 0.627(16) 0.88(3) 0.499 12.0(5)
C11 C 32 0.714(14) 0.618(16) 0.85(3) 0.499 12.0(5)
C12 C 32 0.728(15) 0.646(16) 0.83(3) 0.499 12.0(5)
C13 C 32 0.736(15) 0.670(16) 0.87(3) 0.499 12.0(5)
C14 C 32 0.662(15) 0.700(16) 0.98(3) 0.499 12.0(5)
H15 H 32 0.566(14) 0.610(15) 0.90(3) 0.499 12.0(5)
H16 H 32 0.599(14) 0.608(15) 0.83(3) 0.499 12.0(5)
H17 H 32 0.647(14) 0.629(16) 0.86(3) 0.499 12.0(5)
H18 H 32 0.595(15) 0.679(16) 0.97(3) 0.499 12.0(5)
H19 H 32 0.569(15) 0.679(15) 0.89(3) 0.499 12.0(5)
C20 C 32 0.657(15) 0.637(16) 1.03(3) 0.499 12.0(5)
H21 H 32 0.715(15) 0.694(16) 0.93(3) 0.499 12.0(5)
H22 H 32 0.669(14) 0.636(16) 0.86(3) 0.499 12.0(5)
H23 H 32 0.708(14) 0.602(16) 0.82(3) 0.499 12.0(5)
H24 H 32 0.713(15) 0.656(16) 0.80(3) 0.499 12.0(5)
H25 H 32 0.744(15) 0.690(16) 0.85(3) 0.499 12.0(5)
C26 C 32 0.627(15) 0.622(16) 1.03(3) 0.499 12.0(5)
C27 C 32 0.627(15) 0.602(16) 1.08(3) 0.499 12.0(5)
C28 C 32 0.635(15) 0.620(16) 1.13(3) 0.499 12.0(5)
C29 C 32 0.666(15) 0.636(17) 1.12(3) 0.499 12.0(5)
C30 C 32 0.666(15) 0.655(16) 1.08(3) 0.499 12.0(5)
H31 H 32 0.609(15) 0.639(16) 1.04(3) 0.499 12.0(5)
H32 H 32 0.643(15) 0.583(16) 1.08(3) 0.499 12.0(5)
H33 H 32 0.636(15) 0.605(17) 1.17(3) 0.499 12.0(5)
H34 H 32 0.683(15) 0.618(17) 1.12(3) 0.499 12.0(5)
H35 H 32 0.689(15) 0.664(17) 1.07(3) 0.499 12.0(5)
H36 H 32 0.551(14) 0.632(15) 0.85(3) 0.499 12.0(5)
H37 H 32 0.601(15) 0.648(15) 0.82(3) 0.499 12.0(5)
H38 H 32 0.626(14) 0.608(16) 0.91(3) 0.499 12.0(5)
H39 H 32 0.626(15) 0.677(16) 0.89(3) 0.499 12.0(5)
H40 H 32 0.593(15) 0.639(16) 0.98(3) 0.499 12.0(5)
H41 H 32 0.548(15) 0.659(15) 0.94(3) 0.499 12.0(5)
H42 H 32 0.691(15) 0.690(16) 0.88(3) 0.499 12.0(5)
H43 H 32 0.710(15) 0.641(16) 0.95(3) 0.499 12.0(5)
H44 H 32 0.677(14) 0.606(16) 0.90(3) 0.499 12.0(5)
H45 H 32 0.731(14) 0.607(16) 0.88(3) 0.499 12.0(5)
H46 H 32 0.749(14) 0.640(16) 0.81(3) 0.499 12.0(5)
H47 H 32 0.753(15) 0.661(17) 0.90(3) 0.499 12.0(5)
H48 H 32 0.682(15) 0.704(16) 1.01(3) 0.499 12.0(5)
H49 H 32 0.642(15) 0.707(16) 1.01(3) 0.499 12.0(5)
H50 H 32 0.663(15) 0.714(16) 0.95(3) 0.499 12.0(5)
H51 H 32 0.675(15) 0.619(16) 1.02(3) 0.499 12.0(5)
H52 H 32 0.621(15) 0.608(16) 1.00(3) 0.499 12.0(5)
H53 H 32 0.604(15) 0.592(16) 1.09(3) 0.499 12.0(5)
H54 H 32 0.618(15) 0.638(16) 1.14(3) 0.499 12.0(5)
H55 H 32 0.670(15) 0.650(17) 1.16(3) 0.499 12.0(5)
H56 H 32 0.651(15) 0.675(16) 1.08(3) 0.499 12.0(5)
CB1 C 32 0.290(9) 0.468(2) 0.478(14) 0.495 12.0(5)
CB2 C 32 0.275(9) 0.4497(18) 0.434(14) 0.495 12.0(5)
CB3 C 32 0.242(9) 0.4439(17) 0.445(14) 0.495 12.0(5)
CB4 C 32 0.225(9) 0.4736(17) 0.455(14) 0.495 12.0(5)
CB5 C 32 0.239(9) 0.4913(19) 0.500(14) 0.495 12.0(5)
CB6 C 32 0.273(9) 0.4974(19) 0.488(15) 0.495 12.0(5)
PB7 P 32 0.183(9) 0.4680(18) 0.466(14) 0.495 10.0(5)
CB8 C 32 0.134(9) 0.4359(18) 0.420(14) 0.495 12.0(5)
CB9 C 32 0.168(9) 0.4416(17) 0.414(14) 0.495 12.0(5)
CB10 C 32 0.175(9) 0.4538(15) 0.359(14) 0.495 12.0(5)
CB11 C 32 0.163(9) 0.4322(14) 0.317(14) 0.495 12.0(5)
CB12 C 32 0.130(9) 0.4268(16) 0.323(14) 0.495 12.0(5)
CB13 C 32 0.122(9) 0.4147(17) 0.378(14) 0.495 12.0(5)
CB14 C 32 0.165(9) 0.5053(18) 0.455(15) 0.495 12.0(5)
HB15 H 32 0.290(9) 0.454(2) 0.514(14) 0.495 12.0(5)
HB16 H 32 0.287(9) 0.4279(18) 0.430(14) 0.495 12.0(5)
HB17 H 32 0.232(9) 0.4318(16) 0.411(14) 0.495 12.0(5)
HB18 H 32 0.228(9) 0.5131(19) 0.505(15) 0.495 12.0(5)
HB19 H 32 0.275(9) 0.5122(18) 0.453(15) 0.495 12.0(5)
CB20 C 32 0.171(9) 0.454(2) 0.533(14) 0.495 12.0(5)
HB21 H 32 0.130(9) 0.425(2) 0.459(14) 0.495 12.0(5)
HB22 H 32 0.164(9) 0.4760(15) 0.353(14) 0.495 12.0(5)
HB23 H 32 0.168(9) 0.4420(14) 0.277(14) 0.495 12.0(5)
HB24 H 32 0.117(9) 0.4481(16) 0.316(14) 0.495 12.0(5)
HB25 H 32 0.098(9) 0.4123(19) 0.382(14) 0.495 12.0(5)
CB26 C 32 0.190(9) 0.427(2) 0.550(14) 0.495 12.0(5)
CB27 C 32 0.179(9) 0.415(2) 0.603(14) 0.495 12.0(5)
CB28 C 32 0.180(9) 0.440(3) 0.645(14) 0.495 12.0(5)
CB29 C 32 0.162(9) 0.467(3) 0.628(14) 0.495 12.0(5)
CB30 C 32 0.172(9) 0.479(2) 0.575(14) 0.495 12.0(5)
HB31 H 32 0.214(9) 0.433(2) 0.554(14) 0.495 12.0(5)
HB32 H 32 0.155(9) 0.407(2) 0.599(14) 0.495 12.0(5)
HB33 H 32 0.171(9) 0.431(3) 0.682(14) 0.495 12.0(5)
HB34 H 32 0.138(9) 0.461(3) 0.626(14) 0.495 12.0(5)
HB35 H 32 0.157(9) 0.498(2) 0.563(15) 0.495 12.0(5)
HB36 H 32 0.313(9) 0.473(2) 0.467(14) 0.495 12.0(5)
HB37 H 32 0.277(9) 0.4621(17) 0.396(14) 0.495 12.0(5)
HB38 H 32 0.240(9) 0.4288(18) 0.480(14) 0.495 12.0(5)
HB39 H 32 0.227(9) 0.4874(16) 0.419(14) 0.495 12.0(5)
HB40 H 32 0.238(9) 0.478(2) 0.537(14) 0.495 12.0(5)
HB41 H 32 0.283(9) 0.509(2) 0.521(15) 0.495 12.0(5)
HB42 H 32 0.122(9) 0.4575(19) 0.418(14) 0.495 12.0(5)
HB43 H 32 0.180(9) 0.4197(17) 0.419(14) 0.495 12.0(5)
HB44 H 32 0.200(9) 0.4568(14) 0.353(14) 0.495 12.0(5)
HB45 H 32 0.176(8) 0.4105(14) 0.319(14) 0.495 12.0(5)
HB46 H 32 0.122(8) 0.4102(15) 0.293(14) 0.495 12.0(5)
HB47 H 32 0.133(8) 0.3921(17) 0.383(14) 0.495 12.0(5)
HB48 H 32 0.140(9) 0.5032(19) 0.459(15) 0.495 12.0(5)
HB49 H 32 0.173(9) 0.5217(19) 0.484(15) 0.495 12.0(5)
HB50 H 32 0.171(9) 0.5138(17) 0.415(15) 0.495 12.0(5)
HB51 H 32 0.148(9) 0.447(2) 0.530(14) 0.495 12.0(5)
HB52 H 32 0.188(9) 0.409(2) 0.520(14) 0.495 12.0(5)
HB53 H 32 0.193(8) 0.396(2) 0.615(13) 0.495 12.0(5)
HB54 H 32 0.204(9) 0.446(3) 0.651(14) 0.495 12.0(5)
HB55 H 32 0.165(9) 0.485(3) 0.658(14) 0.495 12.0(5)
HB56 H 32 0.195(9) 0.488(2) 0.579(14) 0.495 12.0(5)
CC1 C 32 0.186(6) 0.529(5) 0.313(18) 0.39483 12.0(5)
CC2 C 32 0.157(6) 0.523(5) 0.281(18) 0.39483 12.0(5)
CC3 C 32 0.129(6) 0.524(5) 0.316(18) 0.39483 12.0(5)
CC4 C 32 0.127(6) 0.554(5) 0.346(18) 0.39483 12.0(5)
CC5 C 32 0.156(6) 0.559(5) 0.378(18) 0.39483 12.0(5)
CC6 C 32 0.184(6) 0.559(5) 0.342(19) 0.39483 12.0(5)
PC7 P 32 0.092(6) 0.557(5) 0.387(18) 0.39483 10.0(5)
CC8 C 32 0.029(6) 0.546(5) 0.378(18) 0.39483 12.0(5)
CC9 C 32 0.059(6) 0.544(5) 0.347(18) 0.39483 12.0(5)
CC10 C 32 0.056(6) 0.563(4) 0.296(18) 0.39483 12.0(5)
CC11 C 32 0.030(6) 0.553(4) 0.263(18) 0.39483 12.0(5)
CC12 C 32 0.000(6) 0.555(4) 0.294(18) 0.39483 12.0(5)
CC13 C 32 0.002(6) 0.536(4) 0.344(18) 0.39483 12.0(5)
CC14 C 32 0.087(6) 0.597(5) 0.402(19) 0.39483 12.0(5)
HC15 H 32 0.190(6) 0.510(5) 0.341(18) 0.39483 12.0(5)
HC16 H 32 0.159(6) 0.500(5) 0.262(18) 0.39483 12.0(5)
HC17 H 32 0.109(6) 0.520(5) 0.291(18) 0.39483 12.0(5)
HC18 H 32 0.155(6) 0.581(5) 0.398(19) 0.39483 12.0(5)
HC19 H 32 0.183(6) 0.578(5) 0.314(19) 0.39483 12.0(5)
CC20 C 32 0.092(6) 0.536(5) 0.452(18) 0.39483 12.0(5)
HC21 H 32 0.030(6) 0.531(5) 0.412(18) 0.39483 12.0(5)
HC22 H 32 0.053(6) 0.587(4) 0.306(19) 0.39483 12.0(5)
HC23 H 32 0.028(6) 0.567(4) 0.227(18) 0.39483 12.0(5)
HC24 H 32 -0.005(6) 0.579(4) 0.303(18) 0.39483 12.0(5)
HC25 H 32 -0.019(6) 0.539(4) 0.367(18) 0.39483 12.0(5)
CC26 C 32 0.103(6) 0.503(5) 0.445(17) 0.39483 12.0(5)
CC27 C 32 0.101(6) 0.486(6) 0.497(17) 0.39483 12.0(5)
CC28 C 32 0.120(6) 0.502(6) 0.539(17) 0.39483 12.0(5)
CC29 C 32 0.110(6) 0.534(6) 0.546(18) 0.39483 12.0(5)
CC30 C 32 0.111(6) 0.552(6) 0.494(18) 0.39483 12.0(5)
HC31 H 32 0.126(6) 0.502(5) 0.431(18) 0.39483 12.0(5)
HC32 H 32 0.077(6) 0.484(5) 0.510(17) 0.39483 12.0(5)
HC33 H 32 0.118(6) 0.490(6) 0.576(17) 0.39483 12.0(5)
HC34 H 32 0.087(6) 0.535(6) 0.562(18) 0.39483 12.0(5)
HC35 H 32 0.102(6) 0.575(6) 0.501(19) 0.39483 12.0(5)
HC36 H 32 0.206(6) 0.530(5) 0.286(18) 0.39483 12.0(5)
HC37 H 32 0.155(6) 0.540(5) 0.250(18) 0.39483 12.0(5)
HC38 H 32 0.130(6) 0.504(5) 0.344(18) 0.39483 12.0(5)
HC39 H 32 0.125(6) 0.572(5) 0.316(19) 0.39483 12.0(5)
HC40 H 32 0.159(6) 0.541(5) 0.408(18) 0.39483 12.0(5)
HC41 H 32 0.204(6) 0.562(5) 0.367(19) 0.39483 12.0(5)
HC42 H 32 0.026(6) 0.570(5) 0.392(18) 0.39483 12.0(5)
HC43 H 32 0.063(6) 0.520(5) 0.336(18) 0.39483 12.0(5)
HC44 H 32 0.077(6) 0.561(4) 0.273(18) 0.39483 12.0(5)
HC45 H 32 0.033(6) 0.529(4) 0.250(18) 0.39483 12.0(5)
HC46 H 32 -0.018(6) 0.546(4) 0.269(18) 0.39483 12.0(5)
HC47 H 32 0.004(6) 0.512(4) 0.335(17) 0.39483 12.0(5)
HC48 H 32 0.066(6) 0.601(5) 0.424(19) 0.39483 12.0(5)
HC49 H 32 0.106(6) 0.606(5) 0.425(19) 0.39483 12.0(5)
HC50 H 32 0.086(6) 0.610(5) 0.365(19) 0.39483 12.0(5)
HC51 H 32 0.069(6) 0.536(5) 0.466(18) 0.39483 12.0(5)
HC52 H 32 0.088(6) 0.492(5) 0.415(17) 0.39483 12.0(5)
HC53 H 32 0.109(6) 0.463(6) 0.491(17) 0.39483 12.0(5)
HC54 H 32 0.144(6) 0.501(6) 0.527(18) 0.39483 12.0(5)
HC55 H 32 0.125(6) 0.546(6) 0.574(18) 0.39483 12.0(5)
HC56 H 32 0.135(6) 0.554(6) 0.481(18) 0.39483 12.0(5)