#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:17:14 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175946 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/34/7223460.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_7223460
loop_
_publ_author_name
'Guo, Hai-Yang'
'Li, Zhi-Fang'
'Zhang, Xiao'
'Fu, Li-Wei'
'Hu, Yang-Yang'
'Guo, Lan-Lan'
'Cui, Xiao-Bing'
'Huo, Qi-Sheng'
'Xu, Ji-Qing'
_publ_section_title
;
 New self-assembly hybrid compounds based on arsenic--vanadium clusters
 and transition metal mixed-organic-ligand complexes
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              566
_journal_paper_doi               10.1039/C5CE01983D
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C68 H58 As8 Cd2 N12 O47 V14'
_chemical_formula_weight         3332.58
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-10-08 deposited with the CCDC.
2015-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                106.2380(10)
_cell_angle_beta                 95.3720(10)
_cell_angle_gamma                102.4660(10)
_cell_formula_units_Z            1
_cell_length_a                   11.5263(9)
_cell_length_b                   15.2606(11)
_cell_length_c                   15.8895(12)
_cell_measurement_reflns_used    5840
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.2951
_cell_measurement_theta_min      2.5122
_cell_volume                     2584.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0179
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_laue_measured_fraction_full 0.993
_diffrn_reflns_laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16505
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.352
_diffrn_reflns_theta_min         1.437
_exptl_absorpt_coefficient_mu    4.237
_exptl_absorpt_correction_T_max  0.655
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.141
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.219
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.249
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     745
_refine_ls_number_reflns         12049
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0996P)²+4.3496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1751
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8860
_reflns_number_total             12049
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce01983d2.cif
_cod_data_source_block           shelx_4
_cod_depositor_comments
'Adding full bibliography for 7223456--7223462.cif.'
_cod_database_code               7223460
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.569
_shelx_estimated_absorpt_t_max   0.653
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cd1 Cd 0.78369(4) 0.34744(3) 0.10351(3) 0.04049(13) Uani 1 1 d . . .
As1 As -0.19848(9) -0.13054(8) 0.21085(7) 0.0282(2) Uani 0.5 1 d . . P
As2 As -0.29114(10) -0.19603(8) 0.27050(7) 0.0312(2) Uani 0.5 1 d . . P
As3 As 0.07540(9) -0.09273(8) 0.74327(7) 0.0277(2) Uani 0.5 1 d . . P
As4 As 0.06705(11) -0.21420(9) 0.64594(9) 0.0365(3) Uani 0.5 1 d . . P
As5 As 0.17015(11) -0.25748(8) 0.46012(9) 0.0362(3) Uani 0.5 1 d . . P
As6 As 0.27176(9) -0.17003(7) 0.40024(7) 0.0259(2) Uani 0.5 1 d . . P
As7 As -0.39350(9) -0.05514(7) 0.55327(7) 0.0244(2) Uani 0.5 1 d . . P
As8 As -0.39972(10) -0.15617(8) 0.45519(8) 0.0301(2) Uani 0.5 1 d . . P
V1 V -0.09018(16) -0.01156(13) 0.26064(12) 0.0300(4) Uani 0.5 1 d . . P
V2 V -0.27688(16) 0.06254(13) 0.59002(12) 0.0287(4) Uani 0.5 1 d . . P
V3 V -0.29773(15) -0.18094(12) 0.38566(11) 0.0243(3) Uani 0.5 1 d . . P
V4 V 0.07973(15) -0.21361(11) 0.53530(11) 0.0223(3) Uani 0.5 1 d . . P
V5 V -0.15338(10) -0.27592(7) 0.44345(7) 0.0414(3) Uani 1 1 d . . .
V6 V 0.13022(10) -0.05126(7) 0.27227(6) 0.0345(2) Uani 1 1 d . . .
V7 V -0.01759(8) -0.22907(6) 0.30117(6) 0.0300(2) Uani 1 1 d . . .
V8 V -0.19547(8) -0.15691(6) 0.61920(6) 0.0275(2) Uani 1 1 d . . .
V9 V 0.27865(8) -0.02979(6) 0.61250(6) 0.02536(19) Uani 1 1 d . . .
O21 O 0.2241(4) -0.1338(3) 0.5003(3) 0.0341(8) Uani 1 1 d . . .
O20 O 0.0657(3) 0.0623(3) 0.2922(2) 0.0338(8) Uani 1 1 d . . .
O19 O -0.2730(4) -0.2221(3) 0.6672(3) 0.0419(10) Uani 1 1 d . . .
O18 O -0.2387(4) -0.0832(3) 0.3127(3) 0.0444(10) Uani 1 1 d . . .
O17 O 0.3976(4) -0.0403(3) 0.6622(3) 0.0404(10) Uani 1 1 d . . .
O16 O -0.2541(4) -0.0431(3) 0.6331(3) 0.0397(10) Uani 1 1 d . . .
O15 O -0.0768(4) -0.2211(3) 0.5690(3) 0.0441(11) Uani 1 1 d . . .
O14 O 0.1381(3) -0.0988(3) 0.6495(3) 0.0348(9) Uani 1 1 d . . .
O13 O 0.0097(4) -0.2574(3) 0.4137(3) 0.0407(10) Uani 1 1 d . . .
O12 O 0.1311(5) -0.2875(4) 0.5595(3) 0.0561(13) Uani 1 1 d . . .
O11 O -0.2627(4) -0.2002(3) 0.4927(3) 0.0402(10) Uani 1 1 d . . .
O10 O -0.1774(4) -0.2364(3) 0.3370(3) 0.0414(10) Uani 1 1 d . . .
O9 O -0.1483(4) 0.1479(3) 0.6711(3) 0.0345(9) Uani 1 1 d . . .
O8 O -0.3208(4) -0.0480(3) 0.4645(3) 0.0406(10) Uani 1 1 d . . .
O7 O -0.0370(4) -0.1256(3) 0.2543(3) 0.0416(10) Uani 1 1 d . . .
O6 O -0.2159(5) -0.3867(3) 0.4220(3) 0.0580(14) Uani 1 1 d . . .
O5 O -0.0264(5) -0.3219(3) 0.2197(3) 0.0524(12) Uani 1 1 d . . .
O4 O 0.1832(5) -0.0704(3) 0.1813(3) 0.0518(12) Uani 1 1 d . . .
O3 O -0.1537(5) -0.0182(4) 0.1788(4) 0.0682(16) Uani 1 1 d . . .
O2 O -0.3913(5) 0.0771(4) 0.6010(4) 0.0670(14) Uani 1 1 d . U .
O1 O -0.4172(5) -0.2242(4) 0.3392(4) 0.0707(15) Uani 1 1 d . U .
N1 N 0.9328(5) 0.4080(3) 0.2288(3) 0.0383(11) Uani 1 1 d . . .
N5 N 0.6372(5) 0.2261(4) -0.0096(3) 0.0391(11) Uani 1 1 d . . .
N6 N 0.6522(6) 0.2564(4) 0.1708(3) 0.0455(13) Uani 1 1 d . . .
N4 N 0.6843(6) 0.4685(4) 0.1398(4) 0.0479(13) Uani 1 1 d . . .
N2 N 0.9317(5) 0.2638(4) 0.0839(4) 0.0475(14) Uani 1 1 d . . .
C6 C 1.0165(5) 0.3591(4) 0.2342(4) 0.0383(13) Uani 1 1 d . . .
C21 C 0.6797(6) 0.5185(4) 0.0803(4) 0.0406(14) Uani 1 1 d . . .
N3 N 0.8130(5) 0.4340(4) 0.0012(4) 0.0455(13) Uani 1 1 d . . .
C34 C 0.5510(5) 0.1736(4) 0.0207(4) 0.0373(13) Uani 1 1 d . . .
C33 C 0.5587(6) 0.1902(4) 0.1156(4) 0.0381(13) Uani 1 1 d . . .
C26 C 0.4557(6) 0.1010(5) -0.0379(4) 0.0451(15) Uani 1 1 d . . .
C20 C 0.6244(8) 0.4871(5) 0.2069(5) 0.058(2) Uani 1 1 d . . .
H20A H 0.6253 0.4526 0.2467 0.070 Uiso 1 1 calc R U .
C22 C 0.7447(6) 0.4981(4) 0.0072(4) 0.0421(14) Uani 1 1 d . . .
C5 C 1.0179(6) 0.2820(4) 0.1535(4) 0.0388(13) Uani 1 1 d . . .
C10 C 0.9303(7) 0.4790(5) 0.3003(4) 0.0501(16) Uani 1 1 d . . .
H10A H 0.8727 0.5128 0.2972 0.060 Uiso 1 1 calc R U .
C29 C 0.4699(6) 0.1347(5) 0.1478(5) 0.0460(15) Uani 1 1 d . . .
C32 C 0.6598(8) 0.2690(6) 0.2578(5) 0.061(2) Uani 1 1 d . . .
H32A H 0.7250 0.3143 0.2957 0.073 Uiso 1 1 calc R U .
C23 C 0.6309(6) 0.2064(5) -0.0975(4) 0.0456(15) Uani 1 1 d . . .
H23A H 0.6904 0.2421 -0.1187 0.055 Uiso 1 1 calc R U .
C31 C 0.5772(9) 0.2191(6) 0.2942(5) 0.065(2) Uani 1 1 d . . .
H31A H 0.5856 0.2316 0.3555 0.078 Uiso 1 1 calc R U .
C24 C 0.5418(6) 0.1364(5) -0.1589(4) 0.0497(17) Uani 1 1 d . . .
H24A H 0.5421 0.1256 -0.2195 0.060 Uiso 1 1 calc R U .
C25 C 0.4539(6) 0.0839(5) -0.1297(5) 0.0491(16) Uani 1 1 d . . .
H25A H 0.3927 0.0367 -0.1701 0.059 Uiso 1 1 calc R U .
C9 C 1.0108(8) 0.5039(7) 0.3791(5) 0.072(3) Uani 1 1 d . . .
H9A H 1.0067 0.5529 0.4282 0.086 Uiso 1 1 calc R U .
C30 C 0.4819(8) 0.1506(6) 0.2399(5) 0.058(2) Uani 1 1 d . . .
H30A H 0.4257 0.1151 0.2637 0.070 Uiso 1 1 calc R U .
C7 C 1.0988(7) 0.3824(7) 0.3099(5) 0.072(3) Uani 1 1 d . . .
H7A H 1.1572 0.3492 0.3123 0.087 Uiso 1 1 calc R U .
C14 C 0.7352(7) 0.5429(5) -0.0585(5) 0.0563(19) Uani 1 1 d . . .
C4 C 1.1028(7) 0.2309(6) 0.1505(5) 0.061(2) Uani 1 1 d . . .
H4A H 1.1619 0.2437 0.1994 0.074 Uiso 1 1 calc R U .
C17 C 0.6141(8) 0.5859(5) 0.0890(5) 0.0538(18) Uani 1 1 d . . .
C27 C 0.3660(7) 0.0482(6) -0.0012(6) 0.0590(19) Uani 1 1 d . . .
H27A H 0.3016 0.0022 -0.0394 0.071 Uiso 1 1 calc R U .
C28 C 0.3729(7) 0.0633(6) 0.0853(6) 0.059(2) Uani 1 1 d . . .
H28A H 0.3138 0.0272 0.1065 0.071 Uiso 1 1 calc R U .
C18 C 0.5552(9) 0.6050(5) 0.1619(5) 0.067(2) Uani 1 1 d . . .
H18A H 0.5129 0.6513 0.1704 0.080 Uiso 1 1 calc R U .
C11 C 0.8717(7) 0.4163(5) -0.0655(6) 0.061(2) Uani 1 1 d . . .
H11A H 0.9217 0.3757 -0.0671 0.074 Uiso 1 1 calc R U .
C1 C 0.9284(8) 0.1939(6) 0.0092(5) 0.075(3) Uani 1 1 d . . .
H1A H 0.8672 0.1807 -0.0385 0.089 Uiso 1 1 calc R U .
C13 C 0.7950(9) 0.5180(7) -0.1307(7) 0.080(3) Uani 1 1 d . . .
H13A H 0.7881 0.5445 -0.1764 0.096 Uiso 1 1 calc R U .
C19 C 0.5598(9) 0.5558(5) 0.2206(5) 0.068(2) Uani 1 1 d . . .
H19A H 0.5204 0.5678 0.2695 0.082 Uiso 1 1 calc R U .
C15 C 0.6653(9) 0.6123(6) -0.0478(6) 0.070(2) Uani 1 1 d . . .
H15A H 0.6591 0.6428 -0.0906 0.085 Uiso 1 1 calc R U .
C16 C 0.6088(8) 0.6337(5) 0.0235(6) 0.065(2) Uani 1 1 d . . .
H16A H 0.5663 0.6798 0.0299 0.078 Uiso 1 1 calc R U .
C8 C 1.0940(9) 0.4556(9) 0.3824(6) 0.102(4) Uani 1 1 d . . .
H8A H 1.1493 0.4716 0.4342 0.122 Uiso 1 1 calc R U .
C12 C 0.8627(9) 0.4556(6) -0.1343(7) 0.075(3) Uani 1 1 d . . .
H12A H 0.9030 0.4391 -0.1821 0.091 Uiso 1 1 calc R U .
C2 C 1.0121(10) 0.1413(7) 0.0008(6) 0.095(4) Uani 1 1 d . . .
H2A H 1.0098 0.0948 -0.0521 0.114 Uiso 1 1 calc R U .
C3 C 1.0981(10) 0.1593(7) 0.0722(7) 0.096(4) Uani 1 1 d . . .
H3A H 1.1544 0.1236 0.0689 0.116 Uiso 1 1 calc R U .
O2W O -0.6004(9) -0.6165(7) 0.2866(9) 0.179(6) Uani 1 1 d . . .
H1O2 H -0.5290 -0.6025 0.3147 0.215 Uiso 1 1 d R U .
H2O2 H -0.6393 -0.6663 0.2955 0.215 Uiso 1 1 d R U .
O1W O 0.0000 0.0000 0.5000 0.150(5) Uani 1 2 d S . P
O3W O -0.399(2) -0.5360(13) 0.4282(12) 0.180(11) Uani 0.5 1 d . . P
O4W O 0.3152(15) -0.2945(12) 0.2631(11) 0.115(6) Uani 0.5 1 d . . P
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
N1 Cd1 N2 70.80(18) . .
N1 Cd1 N4 96.58(19) . .
N2 Cd1 N4 163.3(2) . .
N1 Cd1 N6 93.49(19) . .
N2 Cd1 N6 100.5(2) . .
N4 Cd1 N6 90.9(2) . .
N1 Cd1 N3 112.46(18) . .
N2 Cd1 N3 102.4(2) . .
N4 Cd1 N3 71.72(19) . .
N6 Cd1 N3 149.8(2) . .
N1 Cd1 N5 155.46(18) . .
N2 Cd1 N5 93.14(18) . .
N4 Cd1 N5 102.16(19) . .
N6 Cd1 N5 70.72(18) . .
N3 Cd1 N5 88.59(18) . .
O18 As1 As2 54.13(17) . .
O18 As1 V1 74.55(17) . .
As2 As1 V1 126.03(8) . .
O18 As1 O7 96.96(19) . .
As2 As1 O7 105.34(14) . .
V1 As1 O7 62.03(15) . .
O18 As1 O3 98.9(3) . .
As2 As1 O3 148.2(2) . .
V1 As1 O3 43.43(15) . .
O7 As1 O3 93.5(2) . .
O18 As2 V3 78.95(17) . .
O18 As2 As1 60.19(16) . .
V3 As2 As1 134.10(9) . .
O18 As2 O10 99.3(2) . .
V3 As2 O10 61.30(14) . .
As1 As2 O10 103.40(14) . .
O18 As2 O1 103.0(2) . .
V3 As2 O1 44.53(18) . .
As1 As2 O1 157.5(2) . .
O10 As2 O1 93.6(2) . .
V1 As3 O14 79.02(15) 2_556 .
V1 As3 O3 48.68(19) 2_556 2_556
O14 As3 O3 105.6(3) . 2_556
V1 As3 O20 63.93(14) 2_556 2_556
O14 As3 O20 98.95(19) . 2_556
O3 As3 O20 99.2(2) 2_556 2_556
V1 As3 As4 130.50(9) 2_556 .
O14 As3 As4 55.29(14) . .
O3 As3 As4 153.1(2) 2_556 .
O20 As3 As4 102.29(13) 2_556 .
O14 As4 V4 71.77(15) . .
O14 As4 O12 103.1(2) . .
V4 As4 O12 49.07(16) . .
O14 As4 O15 94.34(19) . .
V4 As4 O15 62.11(14) . .
O12 As4 O15 95.9(2) . .
O14 As4 As3 52.85(13) . .
V4 As4 As3 120.66(9) . .
O12 As4 As3 152.12(19) . .
O15 As4 As3 99.52(13) . .
V4 As5 O21 71.89(14) . .
V4 As5 O12 49.60(15) . .
O21 As5 O12 102.7(2) . .
V4 As5 O13 61.86(14) . .
O21 As5 O13 95.44(19) . .
O12 As5 O13 96.0(2) . .
V4 As5 As6 120.25(8) . .
O21 As5 As6 52.33(13) . .
O12 As5 As6 150.9(2) . .
O13 As5 As6 100.64(14) . .
V2 As6 O21 78.29(15) 2_556 .
V2 As6 O2 49.2(2) 2_556 2_556
O21 As6 O2 106.1(2) . 2_556
V2 As6 O9 63.71(14) 2_556 2_556
O21 As6 O9 97.92(18) . 2_556
O2 As6 O9 99.2(2) 2_556 2_556
V2 As6 As5 128.31(9) 2_556 .
O21 As6 As5 54.40(13) . .
O2 As6 As5 154.1(2) 2_556 .
O9 As6 As5 100.30(13) 2_556 .
O8 As7 As8 55.46(15) . .
O8 As7 O16 96.09(19) . .
As8 As7 O16 106.09(13) . .
O8 As7 V2 72.82(16) . .
As8 As7 V2 126.21(8) . .
O16 As7 V2 62.84(15) . .
O8 As7 O2 98.2(2) . .
As8 As7 O2 148.17(18) . .
O16 As7 O2 93.1(2) . .
V2 As7 O2 42.84(18) . .
O8 As8 V3 79.09(17) . .
O8 As8 O1 106.2(3) . .
V3 As8 O1 47.42(19) . .
O8 As8 As7 58.62(15) . .
V3 As8 As7 132.28(9) . .
O1 As8 As7 158.8(2) . .
O8 As8 O11 95.9(2) . .
V3 As8 O11 59.40(13) . .
O1 As8 O11 94.6(2) . .
As7 As8 O11 101.35(13) . .
O3 V1 As3 73.1(2) . 2_556
O3 V1 O20 117.4(3) . .
As3 V1 O20 65.51(15) 2_556 .
O3 V1 As1 69.4(2) . .
As3 V1 As1 138.77(13) 2_556 .
O20 V1 As1 149.75(17) . .
O3 V1 O7 110.9(3) . .
As3 V1 O7 154.71(18) 2_556 .
O20 V1 O7 91.9(2) . .
As1 V1 O7 59.65(15) . .
O3 V1 O14 103.5(3) . 2_556
As3 V1 O14 53.04(12) 2_556 2_556
O20 V1 O14 87.02(18) . 2_556
As1 V1 O14 121.26(14) . 2_556
O7 V1 O14 141.47(19) . 2_556
O3 V1 O18 98.5(3) . .
As3 V1 O18 122.64(16) 2_556 .
O20 V1 O18 143.15(19) . .
As1 V1 O18 49.68(12) . .
O7 V1 O18 82.15(18) . .
O14 V1 O18 76.14(16) 2_556 .
O3 V1 V6 121.0(3) . .
As3 V1 V6 109.89(10) 2_556 .
O20 V1 V6 46.52(13) . .
As1 V1 V6 103.70(9) . .
O7 V1 V6 45.83(15) . .
O14 V1 V6 125.53(14) 2_556 .
O18 V1 V6 121.53(14) . .
O2 V2 As6 71.6(2) . 2_556
O2 V2 O9 116.3(3) . .
As6 V2 O9 65.82(15) 2_556 .
O2 V2 As7 70.2(3) . .
As6 V2 As7 138.15(12) 2_556 .
O9 V2 As7 149.65(17) . .
O2 V2 O16 109.8(3) . .
As6 V2 O16 154.91(17) 2_556 .
O9 V2 O16 92.9(2) . .
As7 V2 O16 58.50(15) . .
O2 V2 O21 103.5(3) . 2_556
As6 V2 O21 53.47(12) 2_556 2_556
O9 V2 O21 86.92(17) . 2_556
As7 V2 O21 121.54(14) . 2_556
O16 V2 O21 142.74(18) . 2_556
O2 V2 O8 100.3(3) . .
As6 V2 O8 123.63(16) 2_556 .
O9 V2 O8 142.52(19) . .
As7 V2 O8 49.88(11) . .
O16 V2 O8 81.27(17) . .
O21 V2 O8 76.70(16) 2_556 .
O2 V2 V6 120.1(3) . 2_556
As6 V2 V6 110.01(10) 2_556 2_556
O9 V2 V6 46.63(13) . 2_556
As7 V2 V6 103.49(9) . 2_556
O16 V2 V6 46.57(14) . 2_556
O21 V2 V6 125.78(13) 2_556 2_556
O8 V2 V6 120.72(14) . 2_556
O2 V2 V9 102.7(3) . 2_556
As6 V2 V9 87.57(9) 2_556 2_556
O9 V2 V9 119.78(14) . 2_556
As7 V2 V9 84.68(7) . 2_556
O16 V2 V9 115.58(13) . 2_556
O21 V2 V9 38.47(11) 2_556 2_556
O8 V2 V9 38.38(11) . 2_556
V6 V2 V9 136.85(7) 2_556 2_556
O1 V3 As8 69.8(2) . .
O1 V3 As2 73.5(3) . .
As8 V3 As2 135.91(12) . .
O1 V3 O11 116.2(3) . .
As8 V3 O11 66.68(15) . .
As2 V3 O11 155.24(18) . .
O1 V3 O10 115.5(3) . .
As8 V3 O10 158.31(18) . .
As2 V3 O10 62.61(16) . .
O11 V3 O10 93.3(2) . .
O1 V3 O8 100.1(3) . .
As8 V3 O8 49.36(12) . .
As2 V3 O8 117.23(14) . .
O11 V3 O8 84.64(18) . .
O10 V3 O8 140.85(18) . .
O1 V3 O18 99.9(3) . .
As8 V3 O18 117.68(14) . .
As2 V3 O18 46.94(12) . .
O11 V3 O18 141.17(19) . .
O10 V3 O18 82.97(19) . .
O8 V3 O18 75.02(16) . .
O1 V3 V5 123.4(3) . .
As8 V3 V5 111.81(9) . .
As2 V3 V5 108.40(8) . .
O11 V3 V5 46.89(14) . .
O10 V3 V5 46.96(15) . .
O8 V3 V5 123.97(13) . .
O18 V3 V5 122.70(13) . .
O12 V4 As5 68.1(2) . .
O12 V4 As4 67.4(2) . .
As5 V4 As4 133.20(11) . .
O12 V4 O13 110.1(3) . .
As5 V4 O13 63.77(15) . .
As4 V4 O13 148.24(16) . .
O12 V4 O15 109.1(3) . .
As5 V4 O15 148.98(16) . .
As4 V4 O15 62.80(16) . .
O13 V4 O15 90.5(2) . .
O12 V4 O21 102.8(2) . .
As5 V4 O21 54.39(12) . .
As4 V4 O21 124.43(14) . .
O13 V4 O21 87.30(17) . .
O15 V4 O21 146.7(2) . .
O12 V4 O14 102.6(2) . .
As5 V4 O14 125.70(14) . .
As4 V4 O14 53.62(12) . .
O13 V4 O14 146.5(2) . .
O15 V4 O14 85.31(17) . .
O21 V4 O14 78.58(16) . .
O12 V4 V5 115.6(2) . .
As5 V4 V5 106.16(8) . .
As4 V4 V5 105.49(8) . .
O13 V4 V5 45.18(13) . .
O15 V4 V5 45.43(14) . .
O21 V4 V5 125.84(13) . .
O14 V4 V5 124.21(13) . .
O12 V4 V9 105.1(2) . .
As5 V4 V9 89.46(7) . .
As4 V4 V9 88.40(7) . .
O13 V4 V9 121.38(14) . .
O15 V4 V9 119.97(14) . .
O21 V4 V9 39.29(11) . .
O14 V4 V9 39.33(11) . .
V5 V4 V9 139.32(7) . .
O6 V5 O11 110.4(2) . .
O6 V5 O13 110.5(2) . .
O11 V5 O13 139.08(18) . .
O6 V5 O10 110.6(2) . .
O11 V5 O10 87.16(18) . .
O13 V5 O10 79.19(18) . .
O6 V5 O15 110.1(2) . .
O11 V5 O15 78.56(17) . .
O13 V5 O15 87.05(17) . .
O10 V5 O15 139.24(19) . .
O6 V5 V3 113.6(2) . .
O11 V5 V3 42.91(13) . .
O13 V5 V3 117.30(14) . .
O10 V5 V3 44.77(12) . .
O15 V5 V3 115.43(14) . .
O6 V5 V4 115.9(2) . .
O11 V5 V4 114.67(12) . .
O13 V5 V4 43.24(12) . .
O10 V5 V4 114.67(13) . .
O15 V5 V4 43.96(12) . .
V3 V5 V4 130.50(6) . .
O6 V5 V8 112.96(18) . .
O11 V5 V8 39.44(12) . .
O13 V5 V8 119.53(12) . .
O10 V5 V8 119.70(13) . .
O15 V5 V8 39.40(12) . .
V3 V5 V8 80.01(5) . .
V4 V5 V8 80.17(5) . .
O6 V5 V7 114.04(18) . .
O11 V5 V7 119.46(13) . .
O13 V5 V7 39.66(13) . .
O10 V5 V7 39.73(12) . .
O15 V5 V7 119.40(13) . .
V3 V5 V7 81.81(5) . .
V4 V5 V7 79.57(5) . .
V8 V5 V7 133.00(4) . .
O4 V6 O7 111.1(2) . .
O4 V6 O9 110.1(2) . 2_556
O7 V6 O9 78.27(17) . 2_556
O4 V6 O16 108.7(2) . 2_556
O7 V6 O16 140.10(17) . 2_556
O9 V6 O16 89.63(17) 2_556 2_556
O4 V6 O20 110.0(2) . .
O7 V6 O20 87.16(17) . .
O9 V6 O20 139.91(16) 2_556 .
O16 V6 O20 78.00(16) 2_556 .
O4 V6 V2 113.7(2) . 2_556
O7 V6 V2 114.77(13) . 2_556
O9 V6 V2 43.14(12) 2_556 2_556
O16 V6 V2 46.81(12) 2_556 2_556
O20 V6 V2 117.30(12) . 2_556
O4 V6 V1 114.3(2) . .
O7 V6 V1 45.28(13) . .
O9 V6 V1 116.92(13) 2_556 .
O16 V6 V1 114.42(12) 2_556 .
O20 V6 V1 42.26(12) . .
V2 V6 V1 131.93(6) 2_556 .
O4 V6 V8 113.00(18) . 2_556
O7 V6 V8 119.04(12) . 2_556
O9 V6 V8 120.74(12) 2_556 2_556
O16 V6 V8 38.99(11) 2_556 2_556
O20 V6 V8 39.11(11) . 2_556
V2 V6 V8 82.48(5) 2_556 2_556
V1 V6 V8 78.71(5) . 2_556
O4 V6 V7 113.93(18) . .
O7 V6 V7 39.15(12) . .
O9 V6 V7 39.33(12) 2_556 .
O16 V6 V7 121.61(12) 2_556 .
O20 V6 V7 119.50(12) . .
V2 V6 V7 79.70(5) 2_556 .
V1 V6 V7 81.77(5) . .
V8 V6 V7 133.07(4) 2_556 .
O5 V7 O13 109.2(2) . .
O5 V7 O10 108.3(2) . .
O13 V7 O10 78.99(19) . .
O5 V7 O7 109.2(2) . .
O13 V7 O7 141.54(17) . .
O10 V7 O7 89.36(19) . .
O5 V7 O9 109.3(2) . 2_556
O13 V7 O9 89.29(16) . 2_556
O10 V7 O9 142.46(16) . 2_556
O7 V7 O9 77.92(18) . 2_556
O5 V7 V5 111.52(19) . .
O13 V7 V5 39.56(13) . .
O10 V7 V5 39.63(14) . .
O7 V7 V5 122.16(12) . .
O9 V7 V5 122.43(12) 2_556 .
O5 V7 V6 112.00(19) . .
O13 V7 V6 121.84(12) . .
O10 V7 V6 122.18(13) . .
O7 V7 V6 39.01(14) . .
O9 V7 V6 39.12(12) 2_556 .
V5 V7 V6 136.49(4) . .
O19 V8 O15 107.4(2) . .
O19 V8 O11 108.9(2) . .
O15 V8 O11 79.09(19) . .
O19 V8 O16 108.8(2) . .
O15 V8 O16 143.81(19) . .
O11 V8 O16 89.51(18) . .
O19 V8 O20 108.8(2) . 2_556
O15 V8 O20 89.44(17) . 2_556
O11 V8 O20 142.34(17) . 2_556
O16 V8 O20 78.84(18) . 2_556
O19 V8 V5 110.20(17) . .
O15 V8 V5 39.81(14) . .
O11 V8 V5 39.56(14) . .
O16 V8 V5 123.45(12) . .
O20 V8 V5 123.00(12) 2_556 .
O19 V8 V6 112.36(17) . 2_556
O15 V8 V6 122.76(12) . 2_556
O11 V8 V6 121.77(13) . 2_556
O16 V8 V6 39.19(13) . 2_556
O20 V8 V6 39.76(12) 2_556 2_556
V5 V8 V6 137.43(4) . 2_556
O17 V9 O8 109.3(2) . 2_556
O17 V9 O14 109.4(2) . .
O8 V9 O14 141.29(18) 2_556 .
O17 V9 O21 109.2(2) . .
O8 V9 O21 84.36(18) 2_556 .
O14 V9 O21 83.40(17) . .
O17 V9 O18 107.6(2) . 2_556
O8 V9 O18 84.1(2) 2_556 2_556
O14 V9 O18 84.11(19) . 2_556
O21 V9 O18 143.19(18) . 2_556
O17 V9 V4 114.69(17) . .
O8 V9 V4 118.07(13) 2_556 .
O14 V9 V4 41.95(12) . .
O21 V9 V4 41.50(12) . .
O18 V9 V4 119.06(14) 2_556 .
O17 V9 V2 113.53(16) . 2_556
O8 V9 V2 43.18(14) 2_556 2_556
O14 V9 V2 117.91(13) . 2_556
O21 V9 V2 41.34(12) . 2_556
O18 V9 V2 120.68(14) 2_556 2_556
V4 V9 V2 79.45(5) . 2_556
As6 O21 As5 73.27(15) . .
As6 O21 V9 137.7(2) . .
As5 O21 V9 140.9(2) . .
As6 O21 V4 122.8(2) . .
As5 O21 V4 53.72(12) . .
V9 O21 V4 99.20(17) . .
As6 O21 V2 48.24(12) . 2_556
As5 O21 V2 118.1(2) . 2_556
V9 O21 V2 100.20(17) . 2_556
V4 O21 V2 144.4(2) . 2_556
V1 O20 As3 50.56(12) . 2_556
V1 O20 V8 150.6(2) . 2_556
As3 O20 V8 120.6(2) 2_556 2_556
V1 O20 V6 91.21(18) . .
As3 O20 V6 138.1(2) 2_556 .
V8 O20 V6 101.13(18) 2_556 .
As2 O18 As1 65.68(16) . .
As2 O18 V9 141.7(3) . 2_556
As1 O18 V9 143.0(3) . 2_556
As2 O18 V3 54.11(15) . .
As1 O18 V3 116.4(2) . .
V9 O18 V3 99.61(18) 2_556 .
As2 O18 V1 119.1(2) . .
As1 O18 V1 55.77(14) . .
V9 O18 V1 98.0(2) 2_556 .
V3 O18 V1 147.1(2) . .
As7 O16 V8 116.3(2) . .
As7 O16 V6 141.7(2) . 2_556
V8 O16 V6 101.82(19) . 2_556
As7 O16 V2 58.66(13) . .
V8 O16 V2 150.0(2) . .
V6 O16 V2 86.62(18) 2_556 .
V4 O15 As4 55.09(13) . .
V4 O15 V8 149.1(2) . .
As4 O15 V8 119.1(2) . .
V4 O15 V5 90.61(18) . .
As4 O15 V5 140.1(2) . .
V8 O15 V5 100.8(2) . .
As3 O14 As4 71.86(16) . .
As3 O14 V9 138.4(2) . .
As4 O14 V9 140.2(2) . .
As3 O14 V4 122.3(2) . .
As4 O14 V4 54.61(13) . .
V9 O14 V4 98.72(17) . .
As3 O14 V1 47.93(12) . 2_556
As4 O14 V1 117.0(2) . 2_556
V9 O14 V1 101.43(18) . 2_556
V4 O14 V1 145.6(2) . 2_556
V4 O13 As5 54.37(13) . .
V4 O13 V5 91.58(18) . .
As5 O13 V5 140.3(2) . .
V4 O13 V7 148.0(2) . .
As5 O13 V7 118.9(2) . .
V5 O13 V7 100.8(2) . .
V4 O12 As5 62.26(19) . .
V4 O12 As4 63.52(19) . .
As5 O12 As4 123.9(3) . .
V3 O11 As8 53.92(14) . .
V3 O11 V8 152.8(2) . .
As8 O11 V8 118.0(2) . .
V3 O11 V5 90.21(18) . .
As8 O11 V5 140.9(2) . .
V8 O11 V5 101.0(2) . .
V3 O10 As2 56.09(14) . .
V3 O10 V5 88.27(18) . .
As2 O10 V5 142.0(2) . .
V3 O10 V7 152.4(2) . .
As2 O10 V7 117.1(2) . .
V5 O10 V7 100.6(2) . .
V2 O9 As6 50.48(13) . 2_556
V2 O9 V6 90.24(17) . 2_556
As6 O9 V6 136.7(2) 2_556 2_556
V2 O9 V7 150.6(2) . 2_556
As6 O9 V7 121.6(2) 2_556 2_556
V6 O9 V7 101.55(19) 2_556 2_556
As8 O8 As7 65.93(15) . .
As8 O8 V9 138.3(3) . 2_556
As7 O8 V9 143.4(3) . 2_556
As8 O8 V3 51.56(14) . .
As7 O8 V3 113.9(2) . .
V9 O8 V3 100.85(19) 2_556 .
As8 O8 V2 121.3(2) . .
As7 O8 V2 57.30(14) . .
V9 O8 V2 98.4(2) 2_556 .
V3 O8 V2 148.0(2) . .
As1 O7 V1 58.31(13) . .
As1 O7 V6 143.1(2) . .
V1 O7 V6 88.89(19) . .
As1 O7 V7 115.1(2) . .
V1 O7 V7 151.9(2) . .
V6 O7 V7 101.8(2) . .
V1 O3 As3 58.25(19) . 2_556
V1 O3 As1 67.2(2) . .
As3 O3 As1 123.0(3) 2_556 .
V2 O2 As6 59.2(2) . 2_556
V2 O2 As7 66.9(3) . .
As6 O2 As7 123.6(3) 2_556 .
V3 O1 As8 62.8(2) . .
V3 O1 As2 62.0(2) . .
As8 O1 As2 119.8(3) . .
C10 N1 C6 118.4(6) . .
C10 N1 Cd1 124.0(5) . .
C6 N1 Cd1 116.9(4) . .
C23 N5 C34 117.6(5) . .
C23 N5 Cd1 127.4(4) . .
C34 N5 Cd1 115.0(4) . .
C32 N6 C33 118.3(6) . .
C32 N6 Cd1 125.6(5) . .
C33 N6 Cd1 115.9(4) . .
C20 N4 C21 117.8(6) . .
C20 N4 Cd1 126.2(5) . .
C21 N4 Cd1 115.7(4) . .
C5 N2 C1 119.2(6) . .
C5 N2 Cd1 117.4(4) . .
C1 N2 Cd1 123.2(5) . .
N1 C6 C7 121.2(6) . .
N1 C6 C5 117.0(5) . .
C7 C6 C5 121.8(6) . .
N4 C21 C17 121.8(6) . .
N4 C21 C22 117.8(6) . .
C17 C21 C22 120.4(6) . .
C11 N3 C22 119.2(6) . .
C11 N3 Cd1 126.2(5) . .
C22 N3 Cd1 113.8(4) . .
N5 C34 C26 121.8(6) . .
N5 C34 C33 118.9(5) . .
C26 C34 C33 119.3(6) . .
N6 C33 C29 121.6(6) . .
N6 C33 C34 119.1(6) . .
C29 C33 C34 119.3(6) . .
C25 C26 C34 117.9(6) . .
C25 C26 C27 123.1(7) . .
C34 C26 C27 119.0(6) . .
N4 C20 C19 123.0(7) . .
N3 C22 C14 120.7(6) . .
N3 C22 C21 119.9(6) . .
C14 C22 C21 119.4(6) . .
N2 C5 C4 121.5(6) . .
N2 C5 C6 116.8(6) . .
C4 C5 C6 121.7(6) . .
N1 C10 C9 122.3(7) . .
C30 C29 C33 117.9(7) . .
C30 C29 C28 123.0(7) . .
C33 C29 C28 119.2(6) . .
N6 C32 C31 123.7(8) . .
N5 C23 C24 124.1(7) . .
C32 C31 C30 119.4(7) . .
C25 C24 C23 119.0(6) . .
C24 C25 C26 119.5(6) . .
C8 C9 C10 118.3(7) . .
C31 C30 C29 119.1(7) . .
C6 C7 C8 119.1(8) . .
C13 C14 C22 117.8(8) . .
C13 C14 C15 123.5(8) . .
C22 C14 C15 118.7(7) . .
C5 C4 C3 118.3(7) . .
C21 C17 C18 118.4(7) . .
C21 C17 C16 119.7(7) . .
C18 C17 C16 121.9(7) . .
C28 C27 C26 121.7(7) . .
C27 C28 C29 121.5(7) . .
C19 C18 C17 119.7(7) . .
N3 C11 C12 122.9(8) . .
N2 C1 C2 122.4(7) . .
C12 C13 C14 120.2(8) . .
C18 C19 C20 119.2(7) . .
C16 C15 C14 121.1(7) . .
C15 C16 C17 120.6(7) . .
C9 C8 C7 120.7(8) . .
C13 C12 C11 119.1(8) . .
C3 C2 C1 117.9(8) . .
C2 C3 C4 120.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.328(5) .
Cd1 N2 2.335(5) .
Cd1 N4 2.346(6) .
Cd1 N6 2.365(6) .
Cd1 N3 2.369(6) .
Cd1 N5 2.394(5) .
As1 O18 1.729(4) .
As1 As2 1.8156(16) .
As1 V1 1.875(2) .
As1 O7 1.901(5) .
As1 O3 1.903(6) .
As2 O18 1.615(5) .
As2 V3 1.790(2) .
As2 O10 1.915(5) .
As2 O1 1.943(6) .
As3 V1 1.583(2) 2_556
As3 O14 1.704(4) .
As3 O3 1.781(5) 2_556
As3 O20 1.865(4) 2_556
As3 As4 2.0320(17) .
As4 O14 1.758(4) .
As4 V4 1.780(2) .
As4 O12 1.836(5) .
As4 O15 1.931(5) .
As5 V4 1.746(2) .
As5 O21 1.761(4) .
As5 O12 1.831(5) .
As5 O13 1.927(5) .
As5 As6 2.0741(16) .
As6 V2 1.592(2) 2_556
As6 O21 1.714(4) .
As6 O2 1.757(6) 2_556
As6 O9 1.882(4) 2_556
As7 O8 1.724(4) .
As7 As8 1.8435(15) .
As7 O16 1.894(4) .
As7 V2 1.897(2) .
As7 O2 1.940(6) .
As8 O8 1.663(4) .
As8 V3 1.717(2) .
As8 O1 1.812(6) .
As8 O11 1.951(5) .
V1 O3 1.398(5) .
V1 As3 1.583(2) 2_556
V1 O20 1.841(4) .
V1 O7 1.946(4) .
V1 O14 2.094(4) 2_556
V1 O18 2.185(5) .
V1 V6 2.738(2) .
V2 O2 1.402(6) .
V2 As6 1.592(2) 2_556
V2 O9 1.850(4) .
V2 O16 1.976(4) .
V2 O21 2.089(4) 2_556
V2 O8 2.153(5) .
V2 V6 2.705(2) 2_556
V2 V9 3.113(2) 2_556
V3 O1 1.422(6) .
V3 O11 1.828(5) .
V3 O10 1.892(4) .
V3 O8 2.152(5) .
V3 O18 2.169(5) .
V3 V5 2.686(2) .
V4 O12 1.502(5) .
V4 O13 1.894(4) .
V4 O15 1.919(4) .
V4 O21 2.058(4) .
V4 O14 2.074(4) .
V4 V5 2.764(2) .
V4 V9 3.0664(18) .
V5 O6 1.612(4) .
V5 O11 1.961(5) .
V5 O13 1.962(4) .
V5 O10 1.964(5) .
V5 O15 1.969(5) .
V5 V8 3.0215(13) .
V5 V7 3.0258(14) .
V6 O4 1.598(4) .
V6 O7 1.964(5) .
V6 O9 1.967(4) 2_556
V6 O16 1.968(5) 2_556
V6 O20 1.987(4) .
V6 V2 2.705(2) 2_556
V6 V8 3.0485(13) 2_556
V6 V7 3.0536(14) .
V7 O5 1.607(4) .
V7 O13 1.966(4) .
V7 O10 1.968(4) .
V7 O7 1.970(4) .
V7 O9 1.975(4) 2_556
V8 O19 1.593(4) .
V8 O15 1.952(4) .
V8 O11 1.955(4) .
V8 O16 1.960(4) .
V8 O20 1.960(4) 2_556
V8 V6 3.0486(13) 2_556
V9 O17 1.579(4) .
V9 O8 1.954(4) 2_556
V9 O14 1.966(4) .
V9 O21 1.967(4) .
V9 O18 1.974(4) 2_556
V9 V2 3.113(2) 2_556
O21 V2 2.089(4) 2_556
O20 As3 1.866(4) 2_556
O20 V8 1.960(4) 2_556
O18 V9 1.974(4) 2_556
O16 V6 1.968(5) 2_556
O14 V1 2.094(4) 2_556
O9 As6 1.882(4) 2_556
O9 V6 1.967(4) 2_556
O9 V7 1.975(4) 2_556
O8 V9 1.954(4) 2_556
O3 As3 1.781(5) 2_556
O2 As6 1.757(6) 2_556
N1 C10 1.340(8) .
N1 C6 1.351(8) .
N5 C23 1.336(8) .
N5 C34 1.349(8) .
N6 C32 1.333(9) .
N6 C33 1.345(8) .
N4 C20 1.321(9) .
N4 C21 1.375(8) .
N2 C5 1.338(8) .
N2 C1 1.347(8) .
C6 C7 1.370(9) .
C6 C5 1.483(8) .
C21 C17 1.387(9) .
C21 C22 1.437(9) .
N3 C11 1.308(9) .
N3 C22 1.371(8) .
C34 C26 1.416(9) .
C34 C33 1.449(8) .
C33 C29 1.411(9) .
C26 C25 1.406(10) .
C26 C27 1.440(10) .
C20 C19 1.393(11) .
C22 C14 1.407(10) .
C5 C4 1.372(9) .
C10 C9 1.391(10) .
C29 C30 1.403(10) .
C29 C28 1.444(11) .
C32 C31 1.362(11) .
C23 C24 1.380(9) .
C31 C30 1.366(12) .
C24 C25 1.353(10) .
C9 C8 1.336(13) .
C7 C8 1.378(12) .
C14 C13 1.398(12) .
C14 C15 1.446(11) .
C4 C3 1.394(12) .
C17 C18 1.390(11) .
C17 C16 1.432(11) .
C27 C28 1.320(11) .
C18 C19 1.355(11) .
C11 C12 1.392(12) .
C1 C2 1.376(11) .
C13 C12 1.347(13) .
C15 C16 1.355(12) .
C2 C3 1.357(13) .
