#------------------------------------------------------------------------------
#$Date: 2017-11-29 12:25:02 +0200 (Wed, 29 Nov 2017) $
#$Revision: 203788 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/83/1548325.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1548325
loop_
_publ_author_name
'Yuan-Zhi Tan'
'Bo Yang'
'Khaled Parvez'
'Akimitsu Narita'
'Silvio Osella'
'David Beljonne'
'Xinliang Feng'
'Klaus Mullen'
_publ_section_title
;
 Atomically precise edge chlorination of nanographenes and its application
 in graphene nanoribbons
;
_journal_name_full               'Nature Communications'
_journal_page_first              2646
_journal_paper_doi               10.1038/ncomms3646
_journal_volume                  4
_journal_year                    2013
_chemical_formula_moiety         'C60 Cl22'
_chemical_formula_sum            'C60 Cl22'
_chemical_formula_weight         1500.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 91.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.683(6)
_cell_length_b                   21.998(4)
_cell_length_c                   21.006(4)
_cell_measurement_temperature    173(2)
_cell_volume                     12789(4)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_av_unetI/netI     0.1028
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35168
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.47
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  0.8287
_exptl_absorpt_correction_T_min  0.8066
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker AXS SADABS program'
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5872
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         12556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.925
_refine_ls_R_factor_all          0.0978
_refine_ls_R_factor_gt           0.0651
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0527P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1397
_reflns_number_gt                7969
_reflns_number_total             12556
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            3.cif
_cod_data_source_block           3
_cod_original_cell_volume        12790(4)
_cod_database_code               1548325
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl4 Cl 0.20631(4) 1.11079(5) 0.58969(5) 0.0311(3) Uani 1 1 d . . .
Cl2 Cl 0.26274(4) 1.06563(6) 0.35705(5) 0.0367(3) Uani 1 1 d . . .
Cl3 Cl 0.28127(4) 1.12915(5) 0.48542(6) 0.0346(3) Uani 1 1 d . . .
Cl5 Cl 0.11994(4) 1.03230(6) 0.53989(6) 0.0372(3) Uani 1 1 d . . .
Cl1 Cl 0.34261(5) 1.08052(6) 0.25879(6) 0.0417(3) Uani 1 1 d . . .
Cl8 Cl 0.12569(5) 0.95251(6) 0.85874(6) 0.0394(3) Uani 1 1 d . . .
Cl6 Cl 0.04103(4) 1.00965(6) 0.63810(7) 0.0443(3) Uani 1 1 d . . .
Cl12 Cl 0.21996(5) 0.54443(6) 0.77550(6) 0.0438(3) Uani 1 1 d . . .
Cl7 Cl 0.05851(4) 0.91860(7) 0.74678(7) 0.0478(4) Uani 1 1 d . . .
Cl10 Cl 0.20797(5) 0.74115(6) 0.92210(6) 0.0462(4) Uani 1 1 d . . .
Cl9 Cl 0.14649(5) 0.85108(6) 0.95608(6) 0.0490(4) Uani 1 1 d . . .
Cl23 Cl 0.43962(5) 1.01453(7) 0.27632(6) 0.0468(4) Uani 1 1 d . . .
Cl22 Cl 0.51064(5) 1.05714(7) 0.38320(7) 0.0515(4) Uani 1 1 d . . .
Cl11 Cl 0.16193(5) 0.65084(6) 0.82696(7) 0.0500(4) Uani 1 1 d . . .
Cl16 Cl 0.48040(5) 0.65167(7) 0.66106(7) 0.0541(4) Uani 1 1 d . . .
Cl14 Cl 0.40072(5) 0.63134(7) 0.75803(7) 0.0517(4) Uani 1 1 d . . .
Cl21 Cl 0.60218(5) 0.97837(7) 0.39813(7) 0.0537(4) Uani 1 1 d . . .
Cl15 Cl 0.31123(5) 0.56522(6) 0.69850(7) 0.0541(4) Uani 1 1 d . . .
Cl17 Cl 0.45369(6) 0.60341(7) 0.52457(8) 0.0594(4) Uani 1 1 d . . .
Cl20 Cl 0.59628(5) 0.85186(8) 0.46013(7) 0.0616(4) Uani 1 1 d . . .
Cl19 Cl 0.54781(6) 0.75497(8) 0.37128(7) 0.0637(5) Uani 1 1 d . . .
Cl18 Cl 0.52282(6) 0.62606(7) 0.41486(8) 0.0663(5) Uani 1 1 d . . .
C24 C 0.34317(18) 0.7028(2) 0.6822(2) 0.0345(12) Uani 1 1 d . . .
C25 C 0.26204(16) 0.9469(2) 0.57477(19) 0.0246(10) Uani 1 1 d . . .
C26 C 0.33685(15) 0.91193(19) 0.52454(19) 0.0224(10) Uani 1 1 d . . .
C27 C 0.18966(15) 0.92922(19) 0.66936(19) 0.0224(10) Uani 1 1 d . . .
C28 C 0.33828(15) 0.8599(2) 0.56324(19) 0.0235(10) Uani 1 1 d . . .
C29 C 0.23315(15) 1.0471(2) 0.5556(2) 0.0250(10) Uani 1 1 d . . .
C30 C 0.37738(16) 0.8191(2) 0.5595(2) 0.0261(10) Uani 1 1 d . . .
C31 C 0.30365(16) 0.7989(2) 0.6498(2) 0.0272(11) Uani 1 1 d . . .
C32 C 0.34170(16) 0.7550(2) 0.6432(2) 0.0259(10) Uani 1 1 d . . .
C33 C 0.41523(16) 0.8837(2) 0.4809(2) 0.0283(11) Uani 1 1 d . . .
C34 C 0.15403(16) 0.9199(2) 0.7165(2) 0.0261(10) Uani 1 1 d . . .
C35 C 0.37892(16) 0.7644(2) 0.5990(2) 0.0297(11) Uani 1 1 d . . .
C36 C 0.16613(15) 0.8786(2) 0.7693(2) 0.0248(10) Uani 1 1 d . . .
C37 C 0.21492(18) 0.6666(2) 0.7899(2) 0.0333(12) Uani 1 1 d . . .
C38 C 0.10759(16) 0.9437(2) 0.7054(2) 0.0307(11) Uani 1 1 d . . .
C39 C 0.26676(17) 0.7356(2) 0.7325(2) 0.0305(11) Uani 1 1 d . . .
C40 C 0.26842(15) 0.7913(2) 0.69663(19) 0.0232(10) Uani 1 1 d . . .
C41 C 0.22462(17) 0.9894(2) 0.58166(19) 0.0259(10) Uani 1 1 d . . .
C42 C 0.29769(15) 0.95460(19) 0.5284(2) 0.0237(10) Uani 1 1 d . . .
C43 C 0.28375(18) 0.6278(2) 0.7321(2) 0.0337(12) Uani 1 1 d . . .
C44 C 0.37332(16) 0.9753(2) 0.43919(19) 0.0257(10) Uani 1 1 d . . .
C46 C 0.50478(19) 0.9800(2) 0.3999(2) 0.0390(13) Uani 1 1 d . . .
C47 C 0.30148(16) 0.8498(2) 0.6095(2) 0.0264(10) Uani 1 1 d . . .
C48 C 0.37625(16) 0.9243(2) 0.4829(2) 0.0267(10) Uani 1 1 d . . .
C49 C 0.19908(16) 0.8305(2) 0.7568(2) 0.0272(10) Uani 1 1 d . . .
C50 C 0.32027(17) 1.0415(2) 0.3768(2) 0.0309(11) Uani 1 1 d . . .
C51 C 0.29661(15) 1.0066(2) 0.4880(2) 0.0234(10) Uani 1 1 d . . .
C52 C 0.22955(17) 0.7267(2) 0.7771(2) 0.0313(11) Uani 1 1 d . . .
C53 C 0.23208(15) 0.83584(19) 0.70481(19) 0.0222(10) Uani 1 1 d . . .
C54 C 0.33016(16) 1.0103(2) 0.4348(2) 0.0270(11) Uani 1 1 d . . .
C55 C 0.41615(16) 0.7221(2) 0.5930(2) 0.0319(11) Uani 1 1 d . . .
C56 C 0.26359(15) 0.8939(2) 0.6161(2) 0.0240(10) Uani 1 1 d . . .
C57 C 0.20416(16) 0.7808(2) 0.7998(2) 0.0272(11) Uani 1 1 d . . .
C58 C 0.45733(17) 0.8991(2) 0.4436(2) 0.0307(11) Uani 1 1 d . . .
C59 C 0.18774(17) 0.7893(2) 0.8614(2) 0.0319(11) Uani 1 1 d . . .
C60 C 0.35652(18) 1.0433(2) 0.3305(2) 0.0318(11) Uani 1 1 d . . .
C62 C 0.26750(16) 1.0565(2) 0.5088(2) 0.0253(10) Uani 1 1 d . . .
C63 C 0.24139(19) 0.6172(2) 0.7664(2) 0.0356(12) Uani 1 1 d . . .
C64 C 0.49781(17) 0.8610(2) 0.4465(2) 0.0352(12) Uani 1 1 d . . .
C65 C 0.22985(15) 0.88699(19) 0.66438(19) 0.0213(10) Uani 1 1 d . . .
C66 C 0.38767(18) 0.6726(2) 0.6892(2) 0.0356(12) Uani 1 1 d . . .
C67 C 0.09910(16) 0.9819(2) 0.6528(2) 0.0324(11) Uani 1 1 d . . .
C68 C 0.15059(15) 0.8841(2) 0.8320(2) 0.0276(11) Uani 1 1 d . . .
C69 C 0.47009(19) 0.6778(2) 0.5076(2) 0.0405(13) Uani 1 1 d . . .
C70 C 0.16193(18) 0.8407(2) 0.8775(2) 0.0368(12) Uani 1 1 d . . .
C71 C 0.29926(17) 0.6878(2) 0.7183(2) 0.0276(11) Uani 1 1 d . . .
C72 C 0.45266(17) 0.7849(2) 0.5093(2) 0.0360(12) Uani 1 1 d . . .
C73 C 0.41614(16) 0.8304(2) 0.5179(2) 0.0284(11) Uani 1 1 d . . .
C74 C 0.41133(16) 0.9850(2) 0.3965(2) 0.0321(11) Uani 1 1 d . . .
C75 C 0.54651(17) 0.9467(3) 0.4126(2) 0.0406(13) Uani 1 1 d . . .
C76 C 0.18314(16) 0.97383(19) 0.6204(2) 0.0245(10) Uani 1 1 d . . .
C1 C 0.40076(17) 1.0170(2) 0.3400(2) 0.0335(12) Uani 1 1 d . . .
C3 C 0.49099(17) 0.7965(2) 0.4666(2) 0.0336(12) Uani 1 1 d . . .
C4 C 0.51270(18) 0.7463(3) 0.4382(2) 0.0410(13) Uani 1 1 d . . .
C5 C 0.42422(18) 0.6816(2) 0.6454(2) 0.0367(12) Uani 1 1 d . . .
C6 C 0.44865(17) 0.7264(2) 0.5386(2) 0.0366(12) Uani 1 1 d . . .
C7 C 0.54317(18) 0.8870(3) 0.4343(2) 0.0409(13) Uani 1 1 d . . .
C8 C 0.13536(16) 0.9965(2) 0.6104(2) 0.0297(11) Uani 1 1 d . . .
C78 C 0.45831(17) 0.9559(2) 0.4121(2) 0.0308(11) Uani 1 1 d . . .
C77 C 0.50198(19) 0.6879(3) 0.4569(2) 0.0442(14) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C32 C24 C71 117.6(4) . .
C66 C24 C32 117.4(4) . .
C66 C24 C71 124.6(4) . .
C41 C25 C42 121.2(4) . .
C41 C25 C56 119.0(4) . .
C42 C25 C56 119.8(4) . .
C28 C26 C42 120.8(4) . .
C28 C26 C48 119.6(4) . .
C48 C26 C42 119.5(4) . .
C34 C27 C65 119.9(4) . .
C34 C27 C76 121.3(4) . .
C76 C27 C65 118.2(4) . .
C26 C28 C30 119.9(4) . .
C26 C28 C47 120.3(4) . .
C30 C28 C47 119.7(4) . .
C41 C29 Cl4 119.3(3) . .
C62 C29 Cl4 118.0(3) . .
C62 C29 C41 122.1(4) . .
C28 C30 C35 120.4(4) . .
C28 C30 C73 120.9(4) . .
C73 C30 C35 118.7(4) . .
C40 C31 C32 120.4(4) . .
C47 C31 C32 120.1(4) . .
C47 C31 C40 119.5(4) . .
C24 C32 C31 120.3(4) . .
C24 C32 C35 119.1(4) . .
C35 C32 C31 120.6(4) . .
C48 C33 C58 119.5(4) . .
C48 C33 C73 121.3(4) . .
C73 C33 C58 119.1(4) . .
C27 C34 C36 117.6(4) . .
C38 C34 C27 118.3(4) . .
C38 C34 C36 123.5(4) . .
C32 C35 C30 118.7(4) . .
C55 C35 C30 120.7(4) . .
C55 C35 C32 120.7(4) . .
C49 C36 C34 117.3(4) . .
C68 C36 C34 126.0(4) . .
C68 C36 C49 116.6(4) . .
C52 C37 Cl11 122.0(4) . .
C63 C37 Cl11 117.4(4) . .
C63 C37 C52 120.3(4) . .
C34 C38 Cl7 121.7(4) . .
C67 C38 Cl7 118.0(3) . .
C67 C38 C34 119.5(4) . .
C52 C39 C40 119.6(4) . .
C71 C39 C40 119.6(4) . .
C71 C39 C52 120.5(4) . .
C31 C40 C39 119.7(4) . .
C31 C40 C53 120.4(4) . .
C53 C40 C39 119.6(4) . .
C25 C41 C76 119.3(4) . .
C29 C41 C25 115.6(4) . .
C29 C41 C76 124.7(4) . .
C25 C42 C26 119.9(4) . .
C25 C42 C51 120.1(4) . .
C51 C42 C26 119.9(4) . .
C63 C43 Cl15 117.1(4) . .
C63 C43 C71 121.0(4) . .
C71 C43 Cl15 121.3(4) . .
C54 C44 C48 119.7(4) . .
C74 C44 C48 119.1(4) . .
C74 C44 C54 120.8(4) . .
C75 C46 Cl22 118.1(4) . .
C75 C46 C78 121.5(5) . .
C78 C46 Cl22 119.2(4) . .
C31 C47 C28 120.5(4) . .
C31 C47 C56 120.2(4) . .
C56 C47 C28 119.3(4) . .
C26 C48 C44 119.8(4) . .
C33 C48 C26 119.4(4) . .
C33 C48 C44 120.5(4) . .
C36 C49 C53 119.7(4) . .
C57 C49 C36 120.6(4) . .
C57 C49 C53 119.2(4) . .
C54 C50 Cl2 121.2(3) . .
C60 C50 Cl2 119.4(4) . .
C60 C50 C54 118.6(4) . .
C42 C51 C54 119.5(4) . .
C42 C51 C62 116.0(4) . .
C62 C51 C54 123.7(4) . .
C37 C52 C39 118.0(4) . .
C37 C52 C57 123.8(4) . .
C39 C52 C57 117.5(4) . .
C40 C53 C49 119.8(4) . .
C65 C53 C40 120.1(4) . .
C65 C53 C49 120.0(4) . .
C44 C54 C51 117.5(4) . .
C50 C54 C44 117.7(4) . .
C50 C54 C51 124.5(4) . .
C35 C55 C5 116.7(4) . .
C35 C55 C6 119.4(4) . .
C5 C55 C6 123.3(4) . .
C47 C56 C25 119.8(4) . .
C65 C56 C25 120.5(4) . .
C65 C56 C47 119.7(4) . .
C49 C57 C52 117.3(4) . .
C59 C57 C49 117.2(4) . .
C59 C57 C52 125.4(4) . .
C64 C58 C33 119.0(4) . .
C64 C58 C78 121.8(4) . .
C78 C58 C33 118.7(4) . .
C57 C59 Cl10 119.5(4) . .
C70 C59 Cl10 118.6(4) . .
C70 C59 C57 121.1(4) . .
C50 C60 Cl1 117.4(4) . .
C1 C60 Cl1 120.3(4) . .
C1 C60 C50 122.3(4) . .
C29 C62 Cl3 119.9(3) . .
C29 C62 C51 119.6(4) . .
C51 C62 Cl3 119.7(3) . .
C37 C63 Cl12 119.9(4) . .
C37 C63 C43 119.8(4) . .
C43 C63 Cl12 120.2(4) . .
C58 C64 C3 118.4(4) . .
C58 C64 C7 117.6(5) . .
C7 C64 C3 123.8(4) . .
C53 C65 C27 119.4(4) . .
C56 C65 C27 120.3(4) . .
C56 C65 C53 120.0(4) . .
C24 C66 Cl14 120.1(4) . .
C5 C66 Cl14 118.7(4) . .
C5 C66 C24 120.7(4) . .
C38 C67 Cl6 119.3(4) . .
C8 C67 Cl6 118.7(4) . .
C8 C67 C38 122.0(4) . .
C36 C68 Cl8 120.4(4) . .
C70 C68 Cl8 117.2(3) . .
C70 C68 C36 121.4(4) . .
C6 C69 Cl17 120.8(4) . .
C6 C69 C77 120.8(5) . .
C77 C69 Cl17 118.1(4) . .
C59 C70 Cl9 118.7(4) . .
C59 C70 C68 120.5(4) . .
C68 C70 Cl9 120.8(4) . .
C39 C71 C24 118.2(4) . .
C39 C71 C43 116.8(4) . .
C43 C71 C24 124.4(4) . .
C3 C72 C73 119.2(4) . .
C3 C72 C6 119.8(4) . .
C6 C72 C73 120.8(4) . .
C30 C73 C72 119.8(4) . .
C33 C73 C30 118.7(4) . .
C33 C73 C72 121.1(4) . .
C44 C74 C78 117.1(4) . .
C1 C74 C44 117.8(4) . .
C1 C74 C78 124.9(4) . .
C46 C75 Cl21 119.8(4) . .
C46 C75 C7 119.9(5) . .
C7 C75 Cl21 120.2(4) . .
C27 C76 C41 118.2(4) . .
C8 C76 C27 116.7(4) . .
C8 C76 C41 125.0(4) . .
C60 C1 Cl23 118.0(4) . .
C60 C1 C74 120.4(4) . .
C74 C1 Cl23 120.9(4) . .
C72 C3 C64 116.6(4) . .
C4 C3 C64 124.9(4) . .
C4 C3 C72 117.3(5) . .
C3 C4 Cl19 120.8(4) . .
C77 C4 Cl19 117.4(4) . .
C77 C4 C3 121.2(5) . .
C55 C5 Cl16 120.9(4) . .
C66 C5 Cl16 119.1(4) . .
C66 C5 C55 119.4(4) . .
C69 C6 C55 126.0(5) . .
C69 C6 C72 116.9(4) . .
C72 C6 C55 116.5(4) . .
C64 C7 Cl20 120.9(4) . .
C75 C7 Cl20 117.4(4) . .
C75 C7 C64 120.5(5) . .
C67 C8 Cl5 119.1(4) . .
C67 C8 C76 120.3(4) . .
C76 C8 Cl5 119.9(4) . .
C46 C78 C74 126.5(4) . .
C58 C78 C46 116.1(4) . .
C58 C78 C74 117.4(4) . .
C69 C77 Cl18 118.8(4) . .
C4 C77 Cl18 120.8(4) . .
C4 C77 C69 120.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl4 C29 1.747(4) .
Cl2 C50 1.722(5) .
Cl3 C62 1.717(4) .
Cl5 C8 1.724(5) .
Cl1 C60 1.750(5) .
Cl8 C68 1.752(5) .
Cl6 C67 1.742(5) .
Cl12 C63 1.720(5) .
Cl7 C38 1.719(5) .
Cl10 C59 1.741(5) .
Cl9 C70 1.729(5) .
Cl23 C1 1.734(5) .
Cl22 C46 1.742(5) .
Cl11 C37 1.710(5) .
Cl16 C5 1.715(5) .
Cl14 C66 1.739(5) .
Cl21 C75 1.724(5) .
Cl15 C43 1.729(5) .
Cl17 C69 1.738(6) .
Cl20 C7 1.739(5) .
Cl19 C4 1.735(5) .
Cl18 C77 1.727(5) .
C24 C32 1.411(6) .
C24 C66 1.404(6) .
C24 C71 1.483(6) .
C25 C41 1.406(6) .
C25 C42 1.411(6) .
C25 C56 1.453(6) .
C26 C28 1.404(6) .
C26 C42 1.438(6) .
C26 C48 1.438(6) .
C27 C34 1.427(6) .
C27 C65 1.455(6) .
C27 C76 1.431(6) .
C28 C30 1.409(6) .
C28 C47 1.440(6) .
C29 C41 1.403(6) .
C29 C62 1.397(6) .
C30 C35 1.462(6) .
C30 C73 1.419(6) .
C31 C32 1.437(6) .
C31 C40 1.409(6) .
C31 C47 1.404(6) .
C32 C35 1.416(6) .
C33 C48 1.402(6) .
C33 C58 1.458(6) .
C33 C73 1.406(6) .
C34 C36 1.466(6) .
C34 C38 1.404(6) .
C35 C55 1.397(6) .
C36 C49 1.425(6) .
C36 C68 1.400(6) .
C37 C52 1.410(6) .
C37 C63 1.406(6) .
C38 C67 1.403(6) .
C39 C40 1.440(6) .
C39 C52 1.420(6) .
C39 C71 1.419(6) .
C40 C53 1.417(6) .
C41 C76 1.461(6) .
C42 C51 1.423(6) .
C43 C63 1.409(7) .
C43 C71 1.421(6) .
C44 C48 1.452(6) .
C44 C54 1.423(6) .
C44 C74 1.413(6) .
C46 C75 1.389(7) .
C46 C78 1.419(6) .
C47 C56 1.437(6) .
C49 C53 1.443(6) .
C49 C57 1.423(6) .
C50 C54 1.418(6) .
C50 C60 1.413(6) .
C51 C54 1.470(6) .
C51 C62 1.436(6) .
C52 C57 1.467(6) .
C53 C65 1.410(6) .
C55 C5 1.431(6) .
C55 C6 1.471(6) .
C56 C65 1.400(6) .
C57 C59 1.393(6) .
C58 C64 1.400(6) .
C58 C78 1.414(6) .
C59 C70 1.382(6) .
C60 C1 1.365(6) .
C64 C3 1.492(7) .
C64 C7 1.409(7) .
C66 C5 1.395(7) .
C67 C8 1.393(6) .
C68 C70 1.382(6) .
C69 C6 1.391(6) .
C69 C77 1.415(7) .
C72 C73 1.437(6) .
C72 C3 1.427(6) .
C72 C6 1.432(7) .
C74 C1 1.406(6) .
C74 C78 1.481(6) .
C75 C7 1.394(7) .
C76 C8 1.425(6) .
C3 C4 1.397(6) .
C4 C77 1.378(7) .
