#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/22/7222268.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_7222268
loop_
_publ_author_name
'Li, Xiu-Yuan'
'Liu, Meng'
'Yue, Ke-Fen'
'Wu, Ya-Pan'
'He, Tian'
'Yan, Ni'
'Wang, Yao-Yu'
_publ_section_title
;
 A series of reaction-controlled coordination polymers constructed from
 bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses,
 structural diversities, properties
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              8273
_journal_paper_doi               10.1039/C5CE01423A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C63 H66 Cd3 F12 N12 O15'
_chemical_formula_weight         1796.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-25 deposited with the CCDC.
2015-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                93.525(7)
_cell_angle_beta                 95.154(7)
_cell_angle_gamma                92.390(7)
_cell_formula_units_Z            2
_cell_length_a                   8.908(4)
_cell_length_b                   12.428(5)
_cell_length_c                   32.131(13)
_cell_measurement_reflns_used    3103
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.83
_cell_measurement_theta_min      2.30
_cell_volume                     3532(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0735
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            18816
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_T_max  0.7812
_exptl_absorpt_correction_T_min  0.7087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.913
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     964
_refine_ls_number_reflns         13197
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0545
_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)+(0.0700P)²+3.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1544
_reflns_number_gt                9189
_reflns_number_total             13197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01423a2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7222263--7222269.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7222268
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.04183(4) 1.22452(4) 0.413039(14) 0.03228(13) Uani 1 1 d U
Cd2 Cd 1.00446(4) 0.80377(4) 0.249547(14) 0.03212(13) Uani 1 1 d .
Cd3 Cd 0.05942(5) 0.27445(4) 0.081291(14) 0.03382(14) Uani 1 1 d U
N1 N -0.3590(6) 1.4312(5) 0.40342(17) 0.0465(14) Uani 1 1 d .
N2 N -0.1765(6) 1.3194(5) 0.41433(17) 0.0437(14) Uani 1 1 d .
N3 N -0.2170(5) 0.9947(4) 0.48115(17) 0.0372(13) Uani 1 1 d .
N4 N -0.0784(5) 1.0875(4) 0.44083(16) 0.0348(12) Uani 1 1 d .
N5 N 1.2606(5) 1.0290(4) 0.17912(16) 0.0334(12) Uani 1 1 d .
N6 N 1.1242(5) 0.9399(4) 0.22000(16) 0.0355(12) Uani 1 1 d .
N7 N 1.4040(6) 0.5983(5) 0.26503(17) 0.0461(14) Uani 1 1 d .
N8 N 1.2226(6) 0.7087(5) 0.24974(18) 0.0478(15) Uani 1 1 d .
N9 N -0.3591(6) 0.4503(5) 0.07270(17) 0.0458(14) Uani 1 1 d .
N10 N -0.1667(6) 0.3507(5) 0.08893(18) 0.0460(14) Uani 1 1 d .
N11 N -0.1761(5) 0.0138(4) 0.13773(18) 0.0378(13) Uani 1 1 d .
N12 N -0.0399(5) 0.1231(4) 0.10291(17) 0.0374(13) Uani 1 1 d .
O1 O 0.1870(5) 1.2947(4) 0.47850(15) 0.0546(12) Uani 1 1 d U
O2 O 0.2104(5) 1.3824(4) 0.42095(16) 0.0494(10) Uani 1 1 d U
O3 O -0.0367(7) 1.2100(4) 0.34203(17) 0.0628(15) Uani 1 1 d D
H3A H -0.007(10) 1.149(3) 0.338(3) 0.094 Uiso 1 1 d D
O4 O 0.2608(5) 1.1581(4) 0.39269(15) 0.0487(12) Uani 1 1 d .
O5 O 0.1476(5) 1.0042(4) 0.36750(16) 0.0596(14) Uani 1 1 d .
O6 O 0.7864(5) 0.8750(4) 0.26746(14) 0.0469(12) Uani 1 1 d .
O7 O 0.9011(5) 1.0286(4) 0.29263(16) 0.0623(15) Uani 1 1 d .
O8 O 1.0764(7) 0.8226(4) 0.32136(16) 0.0636(15) Uani 1 1 d D
H8 H 1.069(11) 0.880(4) 0.335(2) 0.095 Uiso 1 1 d D
O9 O 0.8350(5) 0.6454(4) 0.24696(16) 0.0501(12) Uani 1 1 d .
O10 O 0.8613(5) 0.7219(4) 0.18709(15) 0.0531(13) Uani 1 1 d .
O11 O 0.2222(5) 0.3216(4) 0.15105(16) 0.0618(14) Uani 1 1 d U
O12 O 0.2356(5) 0.4113(4) 0.09546(16) 0.0543(13) Uani 1 1 d .
O13 O 0.2434(5) 0.1760(4) 0.05102(15) 0.0524(13) Uani 1 1 d .
O14 O 0.2144(7) 0.2008(5) -0.01702(17) 0.086(2) Uani 1 1 d .
O15 O 0.0033(6) 0.3127(6) 0.01191(17) 0.0799(19) Uani 1 1 d D
H15 H 0.064(6) 0.265(5) 0.009(2) 0.120 Uiso 1 1 d D
F1 F 0.7388(5) 1.4056(3) 0.53586(15) 0.0697(14) Uani 1 1 d .
F2 F 0.5070(4) 1.2839(3) 0.50088(15) 0.0625(12) Uani 1 1 d .
F3 F 0.3815(4) 1.1990(3) 0.31230(13) 0.0535(10) Uani 1 1 d .
F4 F 0.6261(4) 1.1509(3) 0.27451(13) 0.0601(11) Uani 1 1 d .
F5 F 0.4205(4) 0.8821(3) 0.38487(13) 0.0566(11) Uani 1 1 d .
F6 F 0.6656(4) 0.8351(3) 0.34727(12) 0.0522(10) Uani 1 1 d .
F7 F 0.3020(4) 0.6203(3) 0.13302(15) 0.0638(12) Uani 1 1 d .
F8 F 0.5418(4) 0.7394(3) 0.16550(14) 0.0592(12) Uani 1 1 d .
F9 F 0.5370(5) 0.3069(3) 0.17524(14) 0.0592(11) Uani 1 1 d .
F10 F 0.7772(4) 0.4272(3) 0.20708(14) 0.0600(12) Uani 1 1 d .
F11 F 0.5195(5) 0.1920(3) -0.03418(15) 0.0714(13) Uani 1 1 d .
F12 F 0.2696(5) -0.0543(4) 0.04501(16) 0.0769(15) Uani 1 1 d .
C1 C -0.1000(9) 1.5169(6) 0.4195(3) 0.069(2) Uani 1 1 d .
H1A H -0.1045 1.5588 0.3953 0.104 Uiso 1 1 calc R
H1B H -0.0003 1.4913 0.4246 0.104 Uiso 1 1 calc R
H1C H -0.1236 1.5611 0.4434 0.104 Uiso 1 1 calc R
C2 C -0.2122(7) 1.4223(6) 0.4119(2) 0.0445(17) Uani 1 1 d .
C3 C -0.3123(7) 1.2611(6) 0.4063(2) 0.0458(17) Uani 1 1 d .
H3 H -0.3237 1.1863 0.4056 0.055 Uiso 1 1 calc R
C4 C -0.4247(7) 1.3271(6) 0.3997(2) 0.0451(17) Uani 1 1 d .
H4 H -0.5267 1.3076 0.3938 0.054 Uiso 1 1 calc R
C5 C -0.4400(8) 1.5288(6) 0.3949(2) 0.0507(18) Uani 1 1 d .
H5A H -0.3944 1.5885 0.4132 0.061 Uiso 1 1 calc R
H5B H -0.5438 1.5180 0.4013 0.061 Uiso 1 1 calc R
C6 C -0.4386(9) 1.5580(6) 0.3498(2) 0.059(2) Uani 1 1 d .
H6A H -0.4858 1.6263 0.3466 0.071 Uiso 1 1 calc R
H6B H -0.3349 1.5672 0.3432 0.071 Uiso 1 1 calc R
C7 C 0.6233(7) 1.4540(5) 0.5185(2) 0.0410(16) Uani 1 1 d .
C8 C 0.4995(7) 1.3905(5) 0.4998(2) 0.0393(15) Uani 1 1 d .
C9 C 0.3739(7) 1.4349(5) 0.48086(19) 0.0370(15) Uani 1 1 d .
C10 C 0.2462(7) 1.3654(5) 0.4583(2) 0.0426(12) Uani 1 1 d U
C12 C -0.1183(8) 1.1763(6) 0.5103(2) 0.0514(19) Uani 1 1 d .
H12A H -0.0373 1.2254 0.5049 0.077 Uiso 1 1 calc R
H12B H -0.0967 1.1484 0.5373 0.077 Uiso 1 1 calc R
H12C H -0.2106 1.2136 0.5099 0.077 Uiso 1 1 calc R
C13 C -0.1340(6) 1.0877(5) 0.4782(2) 0.0334(14) Uani 1 1 d .
C14 C -0.4475(7) 1.0105(8) 0.5189(2) 0.066(2) Uani 1 1 d .
H14A H -0.4939 0.9820 0.5423 0.080 Uiso 1 1 calc R
H14B H -0.4329 1.0880 0.5245 0.080 Uiso 1 1 calc R
C15 C -0.2957(7) 0.9636(6) 0.5169(2) 0.0472(18) Uani 1 1 d .
H15B H -0.2332 0.9863 0.5425 0.057 Uiso 1 1 calc R
H15C H -0.3082 0.8855 0.5157 0.057 Uiso 1 1 calc R
C16 C -0.2131(7) 0.9340(6) 0.4442(2) 0.0477(18) Uani 1 1 d .
H16 H -0.2600 0.8662 0.4373 0.057 Uiso 1 1 calc R
C17 C -0.1291(7) 0.9905(5) 0.4198(2) 0.0433(16) Uani 1 1 d .
H17 H -0.1081 0.9681 0.3928 0.052 Uiso 1 1 calc R
C18 C 0.2539(7) 1.0714(6) 0.3715(2) 0.0429(16) Uani 1 1 d .
C19 C 0.3947(6) 1.0433(5) 0.3504(2) 0.0373(15) Uani 1 1 d .
C20 C 0.4701(7) 0.9508(5) 0.3572(2) 0.0375(15) Uani 1 1 d .
C21 C 0.5948(7) 0.9247(5) 0.3377(2) 0.0373(15) Uani 1 1 d .
C22 C 0.6531(6) 0.9917(5) 0.30949(19) 0.0374(15) Uani 1 1 d .
C23 C 0.5782(7) 1.0842(5) 0.3023(2) 0.0372(15) Uani 1 1 d .
C24 C 0.4527(7) 1.1079(5) 0.3225(2) 0.0399(16) Uani 1 1 d .
C25 C 0.7927(7) 0.9626(6) 0.2878(2) 0.0426(16) Uani 1 1 d .
C27 C 1.1488(7) 0.8507(6) 0.1489(2) 0.0496(18) Uani 1 1 d .
H27A H 1.2334 0.8052 0.1496 0.074 Uiso 1 1 calc R
H27B H 1.1361 0.8815 0.1222 0.074 Uiso 1 1 calc R
H27C H 1.0593 0.8087 0.1531 0.074 Uiso 1 1 calc R
C28 C 1.1765(6) 0.9392(5) 0.1829(2) 0.0341(14) Uani 1 1 d .
C29 C 1.1792(7) 1.0358(5) 0.2409(2) 0.0427(16) Uani 1 1 d .
H29 H 1.1615 1.0592 0.2680 0.051 Uiso 1 1 calc R
C30 C 1.2625(7) 1.0894(6) 0.2155(2) 0.0473(18) Uani 1 1 d .
H30 H 1.3127 1.1564 0.2219 0.057 Uiso 1 1 calc R
C31 C 1.3372(6) 1.0610(5) 0.1431(2) 0.0423(16) Uani 1 1 d .
H31A H 1.3600 1.1383 0.1461 0.051 Uiso 1 1 calc R
H31B H 1.2693 1.0459 0.1179 0.051 Uiso 1 1 calc R
C32 C 1.4819(7) 1.0039(6) 0.1380(2) 0.0488(18) Uani 1 1 d .
H32A H 1.4579 0.9274 0.1320 0.059 Uiso 1 1 calc R
H32B H 1.5282 1.0309 0.1143 0.059 Uiso 1 1 calc R
C33 C 1.5930(8) 1.0188(7) 0.1760(3) 0.068(2) Uani 1 1 d .
H33A H 1.5481 0.9866 0.1989 0.082 Uiso 1 1 calc R
H33B H 1.6082 1.0956 0.1834 0.082 Uiso 1 1 calc R
C34 C 1.1441(9) 0.5122(6) 0.2480(3) 0.071(2) Uani 1 1 d .
H34A H 1.1519 0.4700 0.2721 0.107 Uiso 1 1 calc R
H34B H 1.1648 0.4684 0.2237 0.107 Uiso 1 1 calc R
H34C H 1.0440 0.5378 0.2439 0.107 Uiso 1 1 calc R
C35 C 1.2571(8) 0.6075(6) 0.2548(2) 0.0483(18) Uani 1 1 d .
C36 C 1.3588(7) 0.7672(6) 0.2577(2) 0.0469(17) Uani 1 1 d .
H36 H 1.3711 0.8416 0.2566 0.056 Uiso 1 1 calc R
C37 C 1.4712(7) 0.7012(6) 0.2671(2) 0.0470(18) Uani 1 1 d .
H37 H 1.5729 0.7207 0.2737 0.056 Uiso 1 1 calc R
C38 C 1.4833(8) 0.5022(6) 0.2744(2) 0.055(2) Uani 1 1 d .
H38A H 1.5872 0.5122 0.2680 0.066 Uiso 1 1 calc R
H38B H 1.4374 0.4418 0.2565 0.066 Uiso 1 1 calc R
C39 C 1.4816(9) 0.4751(6) 0.3200(2) 0.059(2) Uani 1 1 d .
H39A H 1.3777 0.4666 0.3265 0.071 Uiso 1 1 calc R
H39B H 1.5281 0.4067 0.3236 0.071 Uiso 1 1 calc R
C40 C 0.7989(7) 0.6574(5) 0.2084(2) 0.0426(17) Uani 1 1 d .
C41 C 0.6673(7) 0.5872(5) 0.1878(2) 0.0373(15) Uani 1 1 d .
C42 C 0.5431(7) 0.6322(5) 0.1680(2) 0.0402(15) Uani 1 1 d .
C43 C 0.4181(7) 0.5702(5) 0.1516(2) 0.0384(15) Uani 1 1 d .
C44 C 0.4110(6) 0.4591(5) 0.1531(2) 0.0363(15) Uani 1 1 d .
C45 C 0.5344(7) 0.4145(5) 0.1722(2) 0.0391(15) Uani 1 1 d .
C46 C 0.6599(7) 0.4762(5) 0.1887(2) 0.0405(16) Uani 1 1 d .
C47 C 0.2777(7) 0.3927(5) 0.1313(2) 0.0410(16) Uani 1 1 d .
C49 C 0.2670(8) 0.1560(6) 0.0141(2) 0.0475(18) Uani 1 1 d .
C50 C 0.3893(7) 0.0760(6) 0.0066(2) 0.0451(17) Uani 1 1 d .
C51 C 0.5055(8) 0.0963(6) -0.0172(2) 0.0473(17) Uani 1 1 d .
C52 C 0.3877(8) -0.0247(6) 0.0235(2) 0.0515(19) Uani 1 1 d .
C53 C -0.1106(8) 0.5444(6) 0.0844(3) 0.066(2) Uani 1 1 d .
H53A H -0.1621 0.6049 0.0952 0.099 Uiso 1 1 calc R
H53B H -0.0834 0.5573 0.0568 0.099 Uiso 1 1 calc R
H53C H -0.0212 0.5347 0.1025 0.099 Uiso 1 1 calc R
C54 C -0.2095(8) 0.4476(6) 0.0824(2) 0.0453(17) Uani 1 1 d .
C55 C -0.3018(7) 0.2841(6) 0.0833(2) 0.0494(18) Uani 1 1 d .
H55 H -0.3079 0.2102 0.0865 0.059 Uiso 1 1 calc R
C56 C -0.4185(7) 0.3442(6) 0.0728(2) 0.0519(19) Uani 1 1 d .
H56 H -0.5189 0.3204 0.0668 0.062 Uiso 1 1 calc R
C57 C -0.4478(8) 0.5393(6) 0.0585(2) 0.0519(19) Uani 1 1 d .
H57A H -0.4042 0.6064 0.0723 0.062 Uiso 1 1 calc R
H57B H -0.5496 0.5295 0.0665 0.062 Uiso 1 1 calc R
C58 C -0.4540(9) 0.5473(6) 0.0128(2) 0.056(2) Uani 1 1 d .
H58A H -0.3519 0.5495 0.0045 0.067 Uiso 1 1 calc R
H58B H -0.4985 0.6146 0.0058 0.067 Uiso 1 1 calc R
C59 C -0.0822(7) 0.1878(6) 0.1766(2) 0.0479(18) Uani 1 1 d .
H59A H -0.0047 0.2419 0.1733 0.072 Uiso 1 1 calc R
H59B H -0.0557 0.1507 0.2014 0.072 Uiso 1 1 calc R
H59C H -0.1762 0.2215 0.1791 0.072 Uiso 1 1 calc R
C60 C -0.0974(6) 0.1096(5) 0.1395(2) 0.0353(15) Uani 1 1 d .
C61 C -0.1696(7) -0.0363(6) 0.0981(2) 0.0484(18) Uani 1 1 d .
H61 H -0.2151 -0.1023 0.0875 0.058 Uiso 1 1 calc R
C62 C -0.2538(7) -0.0276(6) 0.1725(2) 0.053(2) Uani 1 1 d .
H62A H -0.1913 -0.0102 0.1986 0.063 Uiso 1 1 calc R
H62B H -0.2661 -0.1055 0.1686 0.063 Uiso 1 1 calc R
C68 C -0.0396(15) 1.2924(9) 0.3169(3) 0.124(5) Uani 1 1 d .
H68A H -0.1069 1.2733 0.2923 0.187 Uiso 1 1 calc R
H68B H 0.0601 1.3077 0.3090 0.187 Uiso 1 1 calc R
H68C H -0.0740 1.3551 0.3315 0.187 Uiso 1 1 calc R
C67 C -0.0821(7) 0.0322(6) 0.0782(2) 0.0462(17) Uani 1 1 d .
H67 H -0.0545 0.0187 0.0512 0.055 Uiso 1 1 calc R
C69 C 1.0816(13) 0.7407(8) 0.3472(3) 0.096(3) Uani 1 1 d .
H69A H 1.1014 0.7695 0.3757 0.144 Uiso 1 1 calc R
H69B H 1.1605 0.6943 0.3404 0.144 Uiso 1 1 calc R
H69C H 0.9867 0.7002 0.3439 0.144 Uiso 1 1 calc R
C70 C -0.1289(10) 0.3207(9) -0.0129(3) 0.098(4) Uani 1 1 d D
H70A H -0.1290 0.3896 -0.0248 0.146 Uiso 1 1 calc R
H70B H -0.2126 0.3139 0.0038 0.146 Uiso 1 1 calc R
H70C H -0.1375 0.2643 -0.0349 0.146 Uiso 1 1 calc R
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N4 Cd1 O4 105.94(18) . .
N4 Cd1 N2 88.62(18) . .
O4 Cd1 N2 161.85(19) . .
N4 Cd1 O3 105.9(2) . .
O4 Cd1 O3 84.56(19) . .
N2 Cd1 O3 81.0(2) . .
N4 Cd1 O2 150.44(18) . .
O4 Cd1 O2 77.69(17) . .
N2 Cd1 O2 95.08(18) . .
O3 Cd1 O2 103.62(19) . .
N4 Cd1 O1 96.13(18) . .
O4 Cd1 O1 87.44(17) . .
N2 Cd1 O1 101.99(18) . .
O3 Cd1 O1 157.84(19) . .
O2 Cd1 O1 54.39(17) . .
N6 Cd2 O6 104.06(18) . .
N6 Cd2 N8 89.14(19) . .
O6 Cd2 N8 163.28(19) . .
N6 Cd2 O8 107.2(2) . .
O6 Cd2 O8 84.36(19) . .
N8 Cd2 O8 81.9(2) . .
N6 Cd2 O9 153.12(18) . .
O6 Cd2 O9 77.69(16) . .
N8 Cd2 O9 95.25(18) . .
O8 Cd2 O9 99.70(19) . .
N6 Cd2 O10 98.47(17) . .
O6 Cd2 O10 87.44(16) . .
N8 Cd2 O10 100.92(19) . .
O8 Cd2 O10 154.27(19) . .
O9 Cd2 O10 54.65(16) . .
N12 Cd3 O12 146.02(19) . .
N12 Cd3 N10 87.97(19) . .
O12 Cd3 N10 105.24(19) . .
N12 Cd3 O15 118.3(2) . .
O12 Cd3 O15 94.7(2) . .
N10 Cd3 O15 82.42(19) . .
N12 Cd3 O13 89.79(18) . .
O12 Cd3 O13 87.63(18) . .
N10 Cd3 O13 159.72(19) . .
O15 Cd3 O13 80.93(17) . .
N12 Cd3 O11 93.71(18) . .
O12 Cd3 O11 52.83(17) . .
N10 Cd3 O11 105.63(19) . .
O15 Cd3 O11 147.5(2) . .
O13 Cd3 O11 94.63(18) . .
N12 Cd3 H15 111.2(19) . .
O12 Cd3 H15 97(2) . .
N10 Cd3 H15 101.5(6) . .
O15 Cd3 H15 20.5(4) . .
O13 Cd3 H15 60.8(3) . .
O11 Cd3 H15 143.6(17) . .
C2 N1 C4 107.0(6) . .
C2 N1 C5 128.1(6) . .
C4 N1 C5 124.6(6) . .
C2 N2 C3 104.6(5) . .
C2 N2 Cd1 136.2(5) . .
C3 N2 Cd1 117.3(4) . .
C13 N3 C16 107.3(5) . .
C13 N3 C15 126.9(6) . .
C16 N3 C15 125.8(6) . .
C13 N4 C17 106.0(5) . .
C13 N4 Cd1 127.8(4) . .
C17 N4 Cd1 125.6(4) . .
C28 N5 C30 107.2(5) . .
C28 N5 C31 128.5(6) . .
C30 N5 C31 124.3(5) . .
C28 N6 C29 105.8(5) . .
C28 N6 Cd2 128.5(4) . .
C29 N6 Cd2 124.9(4) . .
C35 N7 C37 107.1(6) . .
C35 N7 C38 128.4(7) . .
C37 N7 C38 124.4(6) . .
C35 N8 C36 104.4(6) . .
C35 N8 Cd2 135.5(5) . .
C36 N8 Cd2 117.5(5) . .
C54 N9 C56 106.9(5) . .
C54 N9 C57 129.3(6) . .
C56 N9 C57 123.3(6) . .
C54 N10 C55 105.0(6) . .
C54 N10 Cd3 130.6(5) . .
C55 N10 Cd3 119.2(4) . .
C60 N11 C61 108.1(5) . .
C60 N11 C62 124.5(6) . .
C61 N11 C62 127.4(6) . .
C60 N12 C67 105.9(5) . .
C60 N12 Cd3 127.4(4) . .
C67 N12 Cd3 125.5(4) . .
C10 O1 Cd1 88.4(4) . .
C10 O2 Cd1 90.9(4) . .
C68 O3 Cd1 124.9(6) . .
C68 O3 H3A 130(7) . .
Cd1 O3 H3A 95(7) . .
C18 O4 Cd1 118.3(4) . .
C25 O6 Cd2 118.9(4) . .
C69 O8 Cd2 125.0(5) . .
C69 O8 H8 110(7) . .
Cd2 O8 H8 121(7) . .
C40 O9 Cd2 89.2(4) . .
C40 O10 Cd2 90.1(4) . .
C47 O11 Cd3 83.3(4) . .
C47 O12 Cd3 98.7(4) . .
C49 O13 Cd3 131.8(4) . .
C70 O15 Cd3 133.7(5) . .
C70 O15 H15 126(3) . .
Cd3 O15 H15 79(5) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 N2 111.8(6) . .
N1 C2 C1 124.0(7) . .
N2 C2 C1 124.2(6) . .
C4 C3 N2 110.4(6) . .
C4 C3 H3 124.8 . .
N2 C3 H3 124.8 . .
C3 C4 N1 106.2(6) . .
C3 C4 H4 126.9 . .
N1 C4 H4 126.9 . .
N1 C5 C6 112.8(6) . .
N1 C5 H5A 109.0 . .
C6 C5 H5A 109.0 . .
N1 C5 H5B 109.0 . .
C6 C5 H5B 109.0 . .
H5A C5 H5B 107.8 . .
C39 C6 C5 112.5(7) 1_365 .
C39 C6 H6A 109.1 1_365 .
C5 C6 H6A 109.1 . .
C39 C6 H6B 109.1 1_365 .
C5 C6 H6B 109.1 . .
H6A C6 H6B 107.8 . .
F1 C7 C9 119.9(6) . 2_686
F1 C7 C8 118.4(6) . .
C9 C7 C8 121.6(6) 2_686 .
F2 C8 C9 120.7(6) . .
F2 C8 C7 117.2(6) . .
C9 C8 C7 122.1(6) . .
C8 C9 C7 116.3(6) . 2_686
C8 C9 C10 121.5(6) . .
C7 C9 C10 122.2(6) 2_686 .
O2 C10 O1 125.9(6) . .
O2 C10 C9 117.1(6) . .
O1 C10 C9 117.0(6) . .
C13 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C13 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N4 C13 N3 109.9(6) . .
N4 C13 C12 125.9(6) . .
N3 C13 C12 124.0(6) . .
C14 C14 C15 115.5(9) 2_476 .
C14 C14 H14A 108.4 2_476 .
C15 C14 H14A 108.4 . .
C14 C14 H14B 108.4 2_476 .
C15 C14 H14B 108.4 . .
H14A C14 H14B 107.5 . .
N3 C15 C14 114.0(5) . .
N3 C15 H15B 108.7 . .
C14 C15 H15B 108.7 . .
N3 C15 H15C 108.7 . .
C14 C15 H15C 108.7 . .
H15B C15 H15C 107.6 . .
C17 C16 N3 107.4(6) . .
C17 C16 H16 126.3 . .
N3 C16 H16 126.3 . .
C16 C17 N4 109.5(6) . .
C16 C17 H17 125.3 . .
N4 C17 H17 125.3 . .
O5 C18 O4 126.4(6) . .
O5 C18 C19 117.4(6) . .
O4 C18 C19 116.1(6) . .
C24 C19 C20 115.3(5) . .
C24 C19 C18 121.7(6) . .
C20 C19 C18 123.0(6) . .
F5 C20 C21 117.9(6) . .
F5 C20 C19 119.2(5) . .
C21 C20 C19 123.0(6) . .
F6 C21 C20 119.4(6) . .
F6 C21 C22 119.5(5) . .
C20 C21 C22 121.1(6) . .
C23 C22 C21 116.5(6) . .
C23 C22 C25 122.5(6) . .
C21 C22 C25 121.0(6) . .
F4 C23 C22 119.5(5) . .
F4 C23 C24 119.6(6) . .
C22 C23 C24 120.9(6) . .
C19 C24 F3 119.6(5) . .
C19 C24 C23 123.3(6) . .
F3 C24 C23 117.1(6) . .
O6 C25 O7 126.5(6) . .
O6 C25 C22 116.7(6) . .
O7 C25 C22 116.8(6) . .
C28 C27 H27A 109.5 . .
C28 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C28 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N6 C28 N5 110.9(6) . .
N6 C28 C27 125.8(6) . .
N5 C28 C27 123.3(6) . .
C30 C29 N6 108.3(6) . .
C30 C29 H29 125.8 . .
N6 C29 H29 125.8 . .
C29 C30 N5 107.8(6) . .
C29 C30 H30 126.1 . .
N5 C30 H30 126.1 . .
N5 C31 C32 113.4(5) . .
N5 C31 H31A 108.9 . .
C32 C31 H31A 108.9 . .
N5 C31 H31B 108.9 . .
C32 C31 H31B 108.9 . .
H31A C31 H31B 107.7 . .
C33 C32 C31 113.3(6) . .
C33 C32 H32A 108.9 . .
C31 C32 H32A 108.9 . .
C33 C32 H32B 108.9 . .
C31 C32 H32B 108.9 . .
H32A C32 H32B 107.7 . .
C32 C33 C62 117.0(7) . 1_765
C32 C33 H33A 108.0 . .
C62 C33 H33A 108.0 1_765 .
C32 C33 H33B 108.0 . .
C62 C33 H33B 108.0 1_765 .
H33A C33 H33B 107.3 . .
C35 C34 H34A 109.5 . .
C35 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C35 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N8 C35 N7 112.3(6) . .
N8 C35 C34 124.1(6) . .
N7 C35 C34 123.6(6) . .
C37 C36 N8 110.5(6) . .
C37 C36 H36 124.8 . .
N8 C36 H36 124.8 . .
C36 C37 N7 105.7(6) . .
C36 C37 H37 127.1 . .
N7 C37 H37 127.1 . .
N7 C38 C39 113.0(6) . .
N7 C38 H38A 109.0 . .
C39 C38 H38A 109.0 . .
N7 C38 H38B 109.0 . .
C39 C38 H38B 109.0 . .
H38A C38 H38B 107.8 . .
C6 C39 C38 113.3(7) 1_745 .
C6 C39 H39A 108.9 1_745 .
C38 C39 H39A 108.9 . .
C6 C39 H39B 108.9 1_745 .
C38 C39 H39B 108.9 . .
H39A C39 H39B 107.7 . .
O10 C40 O9 125.3(6) . .
O10 C40 C41 118.3(7) . .
O9 C40 C41 116.4(6) . .
C46 C41 C42 116.0(6) . .
C46 C41 C40 123.1(6) . .
C42 C41 C40 120.9(6) . .
F8 C42 C43 118.5(6) . .
F8 C42 C41 119.7(6) . .
C43 C42 C41 121.7(6) . .
F7 C43 C42 118.0(6) . .
F7 C43 C44 120.1(6) . .
C42 C43 C44 121.9(6) . .
C45 C44 C43 116.4(6) . .
C45 C44 C47 123.1(6) . .
C43 C44 C47 120.3(6) . .
F9 C45 C44 120.4(6) . .
F9 C45 C46 117.6(6) . .
C44 C45 C46 122.0(6) . .
F10 C46 C45 118.9(6) . .
F10 C46 C41 119.1(6) . .
C45 C46 C41 122.0(6) . .
O12 C47 O11 125.0(6) . .
O12 C47 C44 118.1(6) . .
O11 C47 C44 116.9(7) . .
O13 C49 O14 127.6(6) . .
O13 C49 C50 116.0(6) . .
O14 C49 C50 116.0(7) . .
C51 C50 C52 115.2(6) . .
C51 C50 C49 123.3(7) . .
C52 C50 C49 121.5(6) . .
F11 C51 C52 117.5(6) . 2_655
F11 C51 C50 120.0(6) . .
C52 C51 C50 122.4(7) 2_655 .
C51 C52 F12 118.8(7) 2_655 .
C51 C52 C50 122.4(7) 2_655 .
F12 C52 C50 118.7(6) . .
C54 C53 H53A 109.5 . .
C54 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C54 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N10 C54 N9 112.5(6) . .
N10 C54 C53 125.6(6) . .
N9 C54 C53 121.9(6) . .
C56 C55 N10 109.4(7) . .
C56 C55 H55 125.3 . .
N10 C55 H55 125.3 . .
C55 C56 N9 106.1(6) . .
C55 C56 H56 126.9 . .
N9 C56 H56 126.9 . .
N9 C57 C58 112.7(6) . .
N9 C57 H57A 109.1 . .
C58 C57 H57A 109.1 . .
N9 C57 H57B 109.1 . .
C58 C57 H57B 109.1 . .
H57A C57 H57B 107.8 . .
C57 C58 C58 113.8(8) . 2_465
C57 C58 H58A 108.8 . .
C58 C58 H58A 108.8 2_465 .
C57 C58 H58B 108.8 . .
C58 C58 H58B 108.8 2_465 .
H58A C58 H58B 107.7 . .
C60 C59 H59A 109.5 . .
C60 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C60 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N12 C60 N11 110.0(6) . .
N12 C60 C59 126.1(6) . .
N11 C60 C59 123.9(6) . .
C67 C61 N11 104.8(6) . .
C67 C61 H61 127.6 . .
N11 C61 H61 127.6 . .
N11 C62 C33 112.8(5) . 1_345
N11 C62 H62A 109.0 . .
C33 C62 H62A 109.0 1_345 .
N11 C62 H62B 109.0 . .
C33 C62 H62B 109.0 1_345 .
H62A C62 H62B 107.8 . .
O3 C68 H68A 109.5 . .
O3 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
O3 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C61 C67 N12 111.2(6) . .
C61 C67 H67 124.4 . .
N12 C67 H67 124.4 . .
O8 C69 H69A 109.5 . .
O8 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
O8 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
O15 C70 H70A 109.5 . .
O15 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
O15 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N4 2.247(5) .
Cd1 O4 2.282(4) .
Cd1 N2 2.318(5) .
Cd1 O3 2.319(5) .
Cd1 O2 2.407(4) .
Cd1 O1 2.460(5) .
Cd2 N6 2.266(5) .
Cd2 O6 2.274(4) .
Cd2 N8 2.315(5) .
Cd2 O8 2.333(5) .
Cd2 O9 2.422(5) .
Cd2 O10 2.423(5) .
Cd3 N12 2.221(5) .
Cd3 O12 2.262(5) .
Cd3 N10 2.288(5) .
Cd3 O15 2.323(6) .
Cd3 O13 2.332(4) .
Cd3 O11 2.580(5) .
Cd3 H15 2.31(8) .
N1 C2 1.322(8) .
N1 C4 1.392(9) .
N1 C5 1.465(8) .
N2 C2 1.335(8) .
N2 C3 1.380(8) .
N3 C13 1.359(8) .
N3 C16 1.372(8) .
N3 C15 1.462(8) .
N4 C13 1.341(7) .
N4 C17 1.383(8) .
N5 C28 1.336(8) .
N5 C30 1.350(8) .
N5 C31 1.463(7) .
N6 C28 1.319(7) .
N6 C29 1.381(8) .
N7 C35 1.332(8) .
N7 C37 1.384(9) .
N7 C38 1.446(8) .
N8 C35 1.324(8) .
N8 C36 1.383(8) .
N9 C54 1.344(8) .
N9 C56 1.401(9) .
N9 C57 1.458(8) .
N10 C54 1.301(8) .
N10 C55 1.424(8) .
N11 C60 1.352(8) .
N11 C61 1.390(9) .
N11 C62 1.474(8) .
N12 C60 1.342(8) .
N12 C67 1.360(8) .
O1 C10 1.251(8) .
O2 C10 1.246(8) .
O3 C68 1.342(10) .
O3 H3A 0.816(10) .
O4 C18 1.235(8) .
O5 C18 1.228(8) .
O6 C25 1.230(8) .
O7 C25 1.233(8) .
O8 C69 1.351(10) .
O8 H8 0.821(10) .
O9 C40 1.270(8) .
O10 C40 1.233(8) .
O11 C47 1.232(8) .
O12 C47 1.217(8) .
O13 C49 1.234(8) .
O14 C49 1.241(8) .
O15 C70 1.371(9) .
O15 H15 0.825(10) .
F1 C7 1.313(7) .
F2 C8 1.332(7) .
F3 C24 1.363(7) .
F4 C23 1.340(7) .
F5 C20 1.358(7) .
F6 C21 1.341(7) .
F7 C43 1.342(7) .
F8 C42 1.340(7) .
F9 C45 1.348(7) .
F10 C46 1.341(7) .
F11 C51 1.344(8) .
F12 C52 1.360(8) .
C1 C2 1.505(10) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C3 C4 1.331(9) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C5 C6 1.516(10) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C39 1.476(11) 1_365
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C9 1.378(9) 2_686
C7 C8 1.397(9) .
C8 C9 1.376(9) .
C9 C7 1.378(9) 2_686
C9 C10 1.503(9) .
C12 C13 1.454(9) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C14 C14 1.467(15) 2_476
C14 C15 1.500(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 C17 1.341(9) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.522(8) .
C19 C24 1.361(9) .
C19 C20 1.375(9) .
C20 C21 1.364(8) .
C21 C22 1.389(9) .
C22 C23 1.374(9) .
C22 C25 1.526(8) .
C23 C24 1.377(8) .
C27 C28 1.498(9) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C29 C30 1.340(9) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.514(8) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.496(10) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C62 1.514(9) 1_765
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.514(10) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C36 C37 1.346(9) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.525(10) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C6 1.476(11) 1_745
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 C41 1.509(9) .
C41 C46 1.380(9) .
C41 C42 1.382(9) .
C42 C43 1.373(9) .
C43 C44 1.383(9) .
C44 C45 1.366(9) .
C44 C47 1.509(8) .
C45 C46 1.375(9) .
C49 C50 1.530(9) .
C50 C51 1.366(9) .
C50 C52 1.395(10) .
C51 C52 1.349(9) 2_655
C52 C51 1.349(9) 2_655
C53 C54 1.455(10) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C55 C56 1.336(9) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 C58 1.473(9) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C58 1.552(14) 2_465
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 C60 1.484(9) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C61 C67 1.357(9) .
C61 H61 0.9300 .
C62 C33 1.514(9) 1_345
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C67 H67 0.9300 .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C70 H70A 0.9600 .
C70 H70B 0.9600 .
C70 H70C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N4 Cd1 N2 C2 162.6(7) . .
O4 Cd1 N2 C2 -53.4(10) . .
O3 Cd1 N2 C2 -91.0(7) . .
O2 Cd1 N2 C2 12.0(7) . .
O1 Cd1 N2 C2 66.6(7) . .
N4 Cd1 N2 C3 -35.8(5) . .
O4 Cd1 N2 C3 108.1(7) . .
O3 Cd1 N2 C3 70.5(5) . .
O2 Cd1 N2 C3 173.5(5) . .
O1 Cd1 N2 C3 -131.8(5) . .
O4 Cd1 N4 C13 128.1(5) . .
N2 Cd1 N4 C13 -62.9(5) . .
O3 Cd1 N4 C13 -143.1(5) . .
O2 Cd1 N4 C13 35.0(7) . .
O1 Cd1 N4 C13 39.0(5) . .
O4 Cd1 N4 C17 -62.1(5) . .
N2 Cd1 N4 C17 106.9(5) . .
O3 Cd1 N4 C17 26.7(5) . .
O2 Cd1 N4 C17 -155.2(4) . .
O1 Cd1 N4 C17 -151.2(5) . .
O6 Cd2 N6 C28 -125.8(5) . .
N8 Cd2 N6 C28 64.6(5) . .
O8 Cd2 N6 C28 145.9(5) . .
O9 Cd2 N6 C28 -35.3(7) . .
O10 Cd2 N6 C28 -36.3(5) . .
O6 Cd2 N6 C29 65.9(5) . .
N8 Cd2 N6 C29 -103.7(5) . .
O8 Cd2 N6 C29 -22.4(5) . .
O9 Cd2 N6 C29 156.4(4) . .
O10 Cd2 N6 C29 155.4(4) . .
N6 Cd2 N8 C35 -165.3(7) . .
O6 Cd2 N8 C35 52.1(11) . .
O8 Cd2 N8 C35 87.2(7) . .
O9 Cd2 N8 C35 -11.8(7) . .
O10 Cd2 N8 C35 -66.8(7) . .
N6 Cd2 N8 C36 36.4(5) . .
O6 Cd2 N8 C36 -106.2(7) . .
O8 Cd2 N8 C36 -71.1(5) . .
O9 Cd2 N8 C36 -170.2(5) . .
O10 Cd2 N8 C36 134.9(5) . .
N12 Cd3 N10 C54 179.6(6) . .
O12 Cd3 N10 C54 31.4(7) . .
O15 Cd3 N10 C54 -61.5(6) . .
O13 Cd3 N10 C54 -96.5(8) . .
O11 Cd3 N10 C54 86.3(6) . .
N12 Cd3 N10 C55 -29.9(5) . .
O12 Cd3 N10 C55 -178.1(5) . .
O15 Cd3 N10 C55 89.0(5) . .
O13 Cd3 N10 C55 54.0(8) . .
O11 Cd3 N10 C55 -123.1(5) . .
O12 Cd3 N12 C60 55.8(6) . .
N10 Cd3 N12 C60 -58.9(5) . .
O15 Cd3 N12 C60 -139.2(5) . .
O13 Cd3 N12 C60 141.2(5) . .
O11 Cd3 N12 C60 46.6(5) . .
O12 Cd3 N12 C67 -138.6(5) . .
N10 Cd3 N12 C67 106.7(5) . .
O15 Cd3 N12 C67 26.4(5) . .
O13 Cd3 N12 C67 -53.2(5) . .
O11 Cd3 N12 C67 -147.8(5) . .
N4 Cd1 O1 C10 178.9(4) . .
O4 Cd1 O1 C10 73.2(4) . .
N2 Cd1 O1 C10 -91.2(4) . .
O3 Cd1 O1 C10 4.4(7) . .
O2 Cd1 O1 C10 -3.5(4) . .
N4 Cd1 O2 C10 8.5(6) . .
O4 Cd1 O2 C10 -92.2(4) . .
N2 Cd1 O2 C10 104.6(4) . .
O3 Cd1 O2 C10 -173.4(4) . .
O1 Cd1 O2 C10 3.5(4) . .
N4 Cd1 O3 C68 153.9(9) . .
O4 Cd1 O3 C68 -101.0(9) . .
N2 Cd1 O3 C68 68.0(9) . .
O2 Cd1 O3 C68 -25.1(9) . .
O1 Cd1 O3 C68 -31.7(11) . .
N4 Cd1 O4 C18 49.3(5) . .
N2 Cd1 O4 C18 -93.0(8) . .
O3 Cd1 O4 C18 -55.7(5) . .
O2 Cd1 O4 C18 -161.0(5) . .
O1 Cd1 O4 C18 145.0(5) . .
N6 Cd2 O6 C25 -50.8(5) . .
N8 Cd2 O6 C25 90.4(8) . .
O8 Cd2 O6 C25 55.5(5) . .
O9 Cd2 O6 C25 156.7(5) . .
O10 Cd2 O6 C25 -148.9(5) . .
N6 Cd2 O8 C69 -152.2(8) . .
O6 Cd2 O8 C69 104.8(8) . .
N8 Cd2 O8 C69 -65.7(8) . .
O9 Cd2 O8 C69 28.3(8) . .
O10 Cd2 O8 C69 32.7(10) . .
N6 Cd2 O9 C40 -5.6(6) . .
O6 Cd2 O9 C40 91.2(4) . .
N8 Cd2 O9 C40 -104.1(4) . .
O8 Cd2 O9 C40 173.2(4) . .
O10 Cd2 O9 C40 -4.5(3) . .
N6 Cd2 O10 C40 -175.9(4) . .
O6 Cd2 O10 C40 -72.1(4) . .
N8 Cd2 O10 C40 93.3(4) . .
O8 Cd2 O10 C40 -0.7(7) . .
O9 Cd2 O10 C40 4.6(4) . .
N12 Cd3 O11 C47 171.5(4) . .
O12 Cd3 O11 C47 -2.1(4) . .
N10 Cd3 O11 C47 -99.6(4) . .
O15 Cd3 O11 C47 1.0(6) . .
O13 Cd3 O11 C47 81.4(4) . .
N12 Cd3 O12 C47 -9.4(6) . .
N10 Cd3 O12 C47 100.4(4) . .
O15 Cd3 O12 C47 -176.2(4) . .
O13 Cd3 O12 C47 -95.5(4) . .
O11 Cd3 O12 C47 2.1(4) . .
N12 Cd3 O13 C49 112.3(7) . .
O12 Cd3 O13 C49 -101.6(7) . .
N10 Cd3 O13 C49 28.7(10) . .
O15 Cd3 O13 C49 -6.5(7) . .
O11 Cd3 O13 C49 -154.0(7) . .
N12 Cd3 O15 C70 54.6(9) . .
O12 Cd3 O15 C70 -133.8(9) . .
N10 Cd3 O15 C70 -29.0(9) . .
O13 Cd3 O15 C70 139.4(9) . .
O11 Cd3 O15 C70 -136.3(8) . .
C4 N1 C2 N2 -0.4(8) . .
C5 N1 C2 N2 -174.4(6) . .
C4 N1 C2 C1 -178.3(7) . .
C5 N1 C2 C1 7.7(11) . .
C3 N2 C2 N1 0.5(8) . .
Cd1 N2 C2 N1 163.6(5) . .
C3 N2 C2 C1 178.4(7) . .
Cd1 N2 C2 C1 -18.5(11) . .
C2 N2 C3 C4 -0.5(8) . .
Cd1 N2 C3 C4 -167.4(5) . .
N2 C3 C4 N1 0.3(8) . .
C2 N1 C4 C3 0.1(8) . .
C5 N1 C4 C3 174.4(6) . .
C2 N1 C5 C6 82.3(9) . .
C4 N1 C5 C6 -90.7(8) . .
N1 C5 C6 C39 63.8(9) . 1_365
F1 C7 C8 F2 -0.1(10) . .
C9 C7 C8 F2 -179.7(6) 2_686 .
F1 C7 C8 C9 -180.0(6) . .
C9 C7 C8 C9 0.4(12) 2_686 .
F2 C8 C9 C7 179.7(6) . 2_686
C7 C8 C9 C7 -0.4(11) . 2_686
F2 C8 C9 C10 -4.3(10) . .
C7 C8 C9 C10 175.7(6) . .
Cd1 O2 C10 O1 -7.0(7) . .
Cd1 O2 C10 C9 171.9(5) . .
Cd1 O1 C10 O2 6.8(7) . .
Cd1 O1 C10 C9 -172.1(5) . .
C8 C9 C10 O2 -123.7(7) . .
C7 C9 C10 O2 52.1(9) 2_686 .
C8 C9 C10 O1 55.3(9) . .
C7 C9 C10 O1 -128.9(7) 2_686 .
C17 N4 C13 N3 0.0(6) . .
Cd1 N4 C13 N3 171.4(4) . .
C17 N4 C13 C12 -176.0(6) . .
Cd1 N4 C13 C12 -4.6(8) . .
C16 N3 C13 N4 0.0(6) . .
C15 N3 C13 N4 179.7(5) . .
C16 N3 C13 C12 176.1(6) . .
C15 N3 C13 C12 -4.3(9) . .
C13 N3 C15 C14 82.4(8) . .
C16 N3 C15 C14 -98.1(8) . .
C14 C14 C15 N3 54.5(12) 2_476 .
C13 N3 C16 C17 -0.1(7) . .
C15 N3 C16 C17 -179.7(5) . .
N3 C16 C17 N4 0.1(7) . .
C13 N4 C17 C16 -0.1(7) . .
Cd1 N4 C17 C16 -171.7(4) . .
Cd1 O4 C18 O5 -17.1(10) . .
Cd1 O4 C18 C19 166.4(4) . .
O5 C18 C19 C24 123.6(8) . .
O4 C18 C19 C24 -59.5(9) . .
O5 C18 C19 C20 -54.8(9) . .
O4 C18 C19 C20 122.0(7) . .
C24 C19 C20 F5 179.5(6) . .
C18 C19 C20 F5 -2.0(10) . .
C24 C19 C20 C21 0.2(10) . .
C18 C19 C20 C21 178.8(6) . .
F5 C20 C21 F6 -1.9(9) . .
C19 C20 C21 F6 177.4(6) . .
F5 C20 C21 C22 -179.2(6) . .
C19 C20 C21 C22 0.1(10) . .
F6 C21 C22 C23 -177.7(6) . .
C20 C21 C22 C23 -0.4(10) . .
F6 C21 C22 C25 2.6(9) . .
C20 C21 C22 C25 179.9(6) . .
C21 C22 C23 F4 -178.2(6) . .
C25 C22 C23 F4 1.5(10) . .
C21 C22 C23 C24 0.4(10) . .
C25 C22 C23 C24 -179.9(6) . .
C20 C19 C24 F3 177.0(6) . .
C18 C19 C24 F3 -1.5(10) . .
C20 C19 C24 C23 -0.3(10) . .
C18 C19 C24 C23 -178.8(6) . .
F4 C23 C24 C19 178.5(6) . .
C22 C23 C24 C19 0.0(11) . .
F4 C23 C24 F3 1.1(9) . .
C22 C23 C24 F3 -177.4(6) . .
Cd2 O6 C25 O7 16.2(10) . .
Cd2 O6 C25 C22 -163.1(4) . .
C23 C22 C25 O6 -122.8(7) . .
C21 C22 C25 O6 56.9(9) . .
C23 C22 C25 O7 57.9(9) . .
C21 C22 C25 O7 -122.4(7) . .
C29 N6 C28 N5 -0.3(6) . .
Cd2 N6 C28 N5 -170.3(3) . .
C29 N6 C28 C27 179.3(6) . .
Cd2 N6 C28 C27 9.2(8) . .
C30 N5 C28 N6 0.3(6) . .
C31 N5 C28 N6 -179.0(5) . .
C30 N5 C28 C27 -179.3(6) . .
C31 N5 C28 C27 1.5(9) . .
C28 N6 C29 C30 0.2(7) . .
Cd2 N6 C29 C30 170.6(4) . .
N6 C29 C30 N5 0.0(7) . .
C28 N5 C30 C29 -0.2(7) . .
C31 N5 C30 C29 179.1(5) . .
C28 N5 C31 C32 -77.4(8) . .
C30 N5 C31 C32 103.4(7) . .
N5 C31 C32 C33 -56.6(8) . .
C31 C32 C33 C62 -175.0(6) . 1_765
C36 N8 C35 N7 -0.3(8) . .
Cd2 N8 C35 N7 -160.5(5) . .
C36 N8 C35 C34 -177.8(7) . .
Cd2 N8 C35 C34 22.0(12) . .
C37 N7 C35 N8 0.4(8) . .
C38 N7 C35 N8 177.8(6) . .
C37 N7 C35 C34 177.9(7) . .
C38 N7 C35 C34 -4.7(12) . .
C35 N8 C36 C37 0.1(8) . .
Cd2 N8 C36 C37 164.6(5) . .
N8 C36 C37 N7 0.1(8) . .
C35 N7 C37 C36 -0.3(8) . .
C38 N7 C37 C36 -177.8(6) . .
C35 N7 C38 C39 -84.9(9) . .
C37 N7 C38 C39 92.1(8) . .
N7 C38 C39 C6 -63.9(9) . 1_745
Cd2 O10 C40 O9 -8.8(7) . .
Cd2 O10 C40 C41 170.5(5) . .
Cd2 O9 C40 O10 8.8(7) . .
Cd2 O9 C40 C41 -170.5(5) . .
O10 C40 C41 C46 126.8(7) . .
O9 C40 C41 C46 -53.9(9) . .
O10 C40 C41 C42 -55.7(9) . .
O9 C40 C41 C42 123.7(7) . .
C46 C41 C42 F8 -179.5(6) . .
C40 C41 C42 F8 2.8(10) . .
C46 C41 C42 C43 2.3(10) . .
C40 C41 C42 C43 -175.4(6) . .
F8 C42 C43 F7 1.5(10) . .
C41 C42 C43 F7 179.7(6) . .
F8 C42 C43 C44 -179.9(6) . .
C41 C42 C43 C44 -1.7(11) . .
F7 C43 C44 C45 179.5(6) . .
C42 C43 C44 C45 0.9(10) . .
F7 C43 C44 C47 4.1(10) . .
C42 C43 C44 C47 -174.4(6) . .
C43 C44 C45 F9 179.7(6) . .
C47 C44 C45 F9 -5.1(10) . .
C43 C44 C45 C46 -0.9(10) . .
C47 C44 C45 C46 174.3(6) . .
F9 C45 C46 F10 -0.5(9) . .
C44 C45 C46 F10 -180.0(6) . .
F9 C45 C46 C41 -178.9(6) . .
C44 C45 C46 C41 1.7(11) . .
C42 C41 C46 F10 179.4(6) . .
C40 C41 C46 F10 -2.9(10) . .
C42 C41 C46 C45 -2.3(10) . .
C40 C41 C46 C45 175.4(6) . .
Cd3 O12 C47 O11 -4.3(8) . .
Cd3 O12 C47 C44 173.7(5) . .
Cd3 O11 C47 O12 3.8(7) . .
Cd3 O11 C47 C44 -174.3(5) . .
C45 C44 C47 O12 -127.9(7) . .
C43 C44 C47 O12 47.1(9) . .
C45 C44 C47 O11 50.3(9) . .
C43 C44 C47 O11 -134.7(7) . .
Cd3 O13 C49 O14 15.1(13) . .
Cd3 O13 C49 C50 -172.8(4) . .
O13 C49 C50 C51 -128.9(8) . .
O14 C49 C50 C51 44.1(11) . .
O13 C49 C50 C52 52.0(10) . .
O14 C49 C50 C52 -134.9(8) . .
C52 C50 C51 F11 -178.5(7) . .
C49 C50 C51 F11 2.4(11) . .
C52 C50 C51 C52 -0.9(13) . 2_655
C49 C50 C51 C52 180.0(7) . 2_655
C51 C50 C52 C51 0.9(13) . 2_655
C49 C50 C52 C51 -180.0(7) . 2_655
C51 C50 C52 F12 -175.2(6) . .
C49 C50 C52 F12 4.0(11) . .
C55 N10 C54 N9 -0.7(8) . .
Cd3 N10 C54 N9 152.9(5) . .
C55 N10 C54 C53 -179.6(7) . .
Cd3 N10 C54 C53 -26.0(11) . .
C56 N9 C54 N10 -0.2(8) . .
C57 N9 C54 N10 -171.8(6) . .
C56 N9 C54 C53 178.8(7) . .
C57 N9 C54 C53 7.2(11) . .
C54 N10 C55 C56 1.4(8) . .
Cd3 N10 C55 C56 -155.9(5) . .
N10 C55 C56 N9 -1.5(8) . .
C54 N9 C56 C55 1.1(8) . .
C57 N9 C56 C55 173.3(6) . .
C54 N9 C57 C58 85.4(9) . .
C56 N9 C57 C58 -84.9(8) . .
N9 C57 C58 C58 68.6(10) . 2_465
C67 N12 C60 N11 -1.2(6) . .
Cd3 N12 C60 N11 166.6(4) . .
C67 N12 C60 C59 -179.7(6) . .
Cd3 N12 C60 C59 -11.8(8) . .
C61 N11 C60 N12 -0.3(7) . .
C62 N11 C60 N12 179.6(5) . .
C61 N11 C60 C59 178.2(6) . .
C62 N11 C60 C59 -1.9(9) . .
C60 N11 C61 C67 1.6(7) . .
C62 N11 C61 C67 -178.3(5) . .
C60 N11 C62 C33 81.7(8) . 1_345
C61 N11 C62 C33 -98.5(8) . 1_345
N11 C61 C67 N12 -2.4(7) . .
C60 N12 C67 C61 2.3(7) . .
Cd3 N12 C67 C61 -165.8(4) . .
