#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:10:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180414 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/83/7208314.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_7208314
loop_
_publ_author_name
'Cha, Yu-E'
'Li, Xia'
'Ma, Xue'
'Wan, Chong-Qing'
'Deng, Xue-Bin'
'Jin, Lin-Pei'
_publ_section_title
;
 Architectures of transition metal(ii) polymeric frameworks constructed
 from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis,
 crystal structures and properties
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              5322
_journal_paper_doi               10.1039/c2ce25464f
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C21 H21 Cd F N2 O6'
_chemical_formula_weight         528.80
_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
_cell_angle_alpha                96.2390(10)
_cell_angle_beta                 101.522(2)
_cell_angle_gamma                91.3050(10)
_cell_formula_units_Z            4
_cell_length_a                   11.3563(11)
_cell_length_b                   13.2471(15)
_cell_length_c                   14.6072(17)
_cell_measurement_reflns_used    4747
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.488
_cell_measurement_theta_min      2.228
_cell_volume                     2138.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10817
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  0.8145
_exptl_absorpt_correction_T_min  0.7258
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         7414
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0255P)²+1.1443P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                5585
_reflns_number_total             7414
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25464f.txt
_cod_data_source_block           111030b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7208314
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.36076(2) 0.65493(2) 0.014600(18) 0.03769(8) Uani 1 1 d U . .
Cd2 Cd 0.22117(2) 0.88410(2) 0.511805(18) 0.03839(9) Uani 1 1 d . . .
F1 F 0.8099(2) 0.4137(2) 0.32295(18) 0.0634(10) Uani 0.893(6) 1 d P A 1
F2 F -0.0959(3) 1.2412(2) 0.2142(2) 0.0686(11) Uani 0.884(6) 1 d P B 1
F1' F 0.595(2) 0.7500(16) 0.3583(15) 0.068(9) Uani 0.107(6) 1 d P A 2
F2' F 0.220(2) 0.9696(17) 0.1800(13) 0.068(8) Uani 0.116(6) 1 d P B 2
N1 N 0.1804(2) 0.6778(2) 0.0636(2) 0.0371(7) Uani 1 1 d . . .
N2 N -0.3666(3) 1.1809(2) 0.0293(2) 0.0442(8) Uani 1 1 d . . .
N3 N 0.1907(3) 0.7247(2) 0.4211(2) 0.0473(8) Uani 1 1 d . . .
N4 N 0.5980(3) 0.1765(2) 0.4185(2) 0.0443(8) Uani 1 1 d . . .
O1 O 0.5523(2) 0.62380(18) 0.09417(17) 0.0436(6) Uani 1 1 d . . .
O2 O 0.4556(2) 0.7119(2) 0.18905(19) 0.0543(7) Uani 1 1 d . . .
O3 O 0.4293(3) 0.5931(2) -0.12954(18) 0.0530(7) Uani 1 1 d U . .
O4 O 0.2462(3) 0.5481(2) -0.11988(19) 0.0678(8) Uani 1 1 d U . .
O5 O 0.3419(2) 0.4764(2) 0.0557(2) 0.0584(7) Uani 1 1 d U . .
H5C H 0.3506 0.4524 0.0012 0.070 Uiso 1 1 d R . .
H5D H 0.4046 0.4641 0.0948 0.070 Uiso 1 1 d R . .
O6 O 0.0942(2) 0.9761(2) 0.41562(17) 0.0457(6) Uani 1 1 d . . .
O7 O 0.2556(2) 0.9432(2) 0.35749(18) 0.0513(7) Uani 1 1 d . . .
O8 O -0.1290(2) 1.1125(2) 0.37024(18) 0.0591(8) Uani 1 1 d . . .
O9 O 0.0415(3) 1.2016(2) 0.4376(2) 0.0630(8) Uani 1 1 d . . .
O10 O 0.3194(2) 1.04153(19) 0.57558(19) 0.0572(7) Uani 1 1 d . . .
H10C H 0.2610 1.0738 0.5907 0.069 Uiso 1 1 d R . .
H10D H 0.3817 1.0571 0.6184 0.069 Uiso 1 1 d R . .
O11 O 0.1275(2) 0.1394(2) 0.61633(19) 0.0593(8) Uani 1 1 d . . .
H11C H 0.0666 0.1012 0.6174 0.071 Uiso 1 1 d R . .
H11D H 0.1112 0.1724 0.5690 0.071 Uiso 1 1 d R . .
O12 O 0.4677(2) 0.9149(2) 0.2874(2) 0.0678(9) Uani 1 1 d . . .
H12C H 0.4639 0.8552 0.2585 0.081 Uiso 1 1 d R . .
H12D H 0.4037 0.9234 0.3085 0.081 Uiso 1 1 d R . .
C1 C 0.5381(3) 0.6554(3) 0.1758(3) 0.0373(8) Uani 1 1 d . . .
C2 C 0.3329(4) 0.5412(3) -0.1601(3) 0.0452(10) Uani 1 1 d . . .
C3 C 0.6217(3) 0.6204(3) 0.2583(2) 0.0345(8) Uani 1 1 d . . .
C4 C 0.6806(3) 0.5292(3) 0.2494(2) 0.0362(8) Uani 1 1 d . . .
C5 C 0.7555(3) 0.5024(3) 0.3294(3) 0.0458(10) Uani 1 1 d . . .
H5 H 0.7934 0.4411 0.3249 0.055 Uiso 0.107(6) 1 calc PR A 2
C6 C 0.7766(4) 0.5609(4) 0.4140(3) 0.0600(12) Uani 1 1 d . A .
H6 H 0.8278 0.5402 0.4659 0.072 Uiso 1 1 calc R . .
C7 C 0.7207(4) 0.6509(4) 0.4209(3) 0.0641(12) Uani 1 1 d . . .
H7 H 0.7358 0.6931 0.4776 0.077 Uiso 1 1 calc R A .
C8 C 0.6421(4) 0.6795(3) 0.3444(3) 0.0493(10) Uani 1 1 d . A .
H8 H 0.6022 0.7396 0.3507 0.059 Uiso 0.893(6) 1 calc PR A 1
C9 C 0.1576(3) 0.9844(3) 0.3550(3) 0.0385(9) Uani 1 1 d . . .
C10 C -0.0236(4) 1.1467(3) 0.3733(3) 0.0440(9) Uani 1 1 d . . .
C11 C 0.1068(3) 1.0440(3) 0.2745(2) 0.0369(8) Uani 1 1 d . . .
C12 C 0.0218(3) 1.1175(3) 0.2834(2) 0.0379(8) Uani 1 1 d . B .
C13 C -0.0219(4) 1.1663(3) 0.2058(3) 0.0518(11) Uani 1 1 d . . .
H13 H -0.0756 1.2174 0.2115 0.062 Uiso 0.116(6) 1 calc PR B 2
C14 C 0.0102(4) 1.1432(4) 0.1204(3) 0.0641(13) Uani 1 1 d . B .
H14 H -0.0230 1.1765 0.0691 0.077 Uiso 1 1 calc R . .
C15 C 0.0926(4) 1.0694(4) 0.1123(3) 0.0666(13) Uani 1 1 d . . .
H15 H 0.1144 1.0515 0.0548 0.080 Uiso 1 1 calc R B .
C16 C 0.1423(4) 1.0224(3) 0.1892(3) 0.0528(11) Uani 1 1 d . B .
H16 H 0.2008 0.9753 0.1841 0.063 Uiso 0.884(6) 1 calc PR B 1
C17 C 0.1746(3) 0.7400(3) 0.1408(3) 0.0458(9) Uani 1 1 d . . .
H17 H 0.2457 0.7713 0.1765 0.055 Uiso 1 1 calc R . .
C18 C 0.0690(3) 0.7602(3) 0.1703(3) 0.0430(9) Uani 1 1 d . . .
H18 H 0.0701 0.8037 0.2249 0.052 Uiso 1 1 calc R . .
C19 C -0.0383(3) 0.7162(3) 0.1191(2) 0.0359(8) Uani 1 1 d . . .
C20 C -0.0325(3) 0.6498(3) 0.0400(3) 0.0444(9) Uani 1 1 d . . .
H20 H -0.1024 0.6169 0.0039 0.053 Uiso 1 1 calc R . .
C21 C 0.0767(3) 0.6326(3) 0.0150(3) 0.0433(9) Uani 1 1 d . . .
H21 H 0.0785 0.5874 -0.0380 0.052 Uiso 1 1 calc R . .
C22 C -0.3483(4) 1.1679(3) 0.1197(3) 0.0595(12) Uani 1 1 d . . .
H22 H -0.3472 1.2250 0.1630 0.071 Uiso 1 1 calc R . .
C23 C -0.3308(4) 1.0756(3) 0.1532(3) 0.0617(12) Uani 1 1 d . . .
H23 H -0.3183 1.0717 0.2176 0.074 Uiso 1 1 calc R . .
C24 C -0.3316(3) 0.9890(3) 0.0924(3) 0.0435(9) Uani 1 1 d . . .
C25 C -0.3522(3) 1.0016(3) -0.0021(3) 0.0466(10) Uani 1 1 d . . .
H25 H -0.3547 0.9455 -0.0467 0.056 Uiso 1 1 calc R . .
C26 C -0.3691(3) 1.0973(3) -0.0309(3) 0.0448(9) Uani 1 1 d . . .
H26 H -0.3828 1.1035 -0.0949 0.054 Uiso 1 1 calc R . .
C27 C -0.1562(3) 0.7461(3) 0.1445(3) 0.0399(9) Uani 1 1 d . . .
H27A H -0.1493 0.7501 0.2121 0.048 Uiso 1 1 calc R . .
H27B H -0.2190 0.6952 0.1149 0.048 Uiso 1 1 calc R . .
C28 C -0.1888(3) 0.8489(3) 0.1113(3) 0.0536(11) Uani 1 1 d . . .
H28A H -0.1265 0.8990 0.1437 0.064 Uiso 1 1 calc R . .
H28B H -0.1884 0.8448 0.0447 0.064 Uiso 1 1 calc R . .
C29 C -0.3079(3) 0.8861(3) 0.1264(3) 0.0526(11) Uani 1 1 d . . .
H29A H -0.3095 0.8908 0.1929 0.063 Uiso 1 1 calc R . .
H29B H -0.3713 0.8375 0.0931 0.063 Uiso 1 1 calc R . .
C30 C 0.0919(4) 0.6642(3) 0.4047(3) 0.0542(11) Uani 1 1 d . . .
H30 H 0.0297 0.6832 0.4348 0.065 Uiso 1 1 calc R . .
C31 C 0.0776(4) 0.5747(3) 0.3452(3) 0.0569(11) Uani 1 1 d . . .
H31 H 0.0071 0.5346 0.3369 0.068 Uiso 1 1 calc R . .
C32 C 0.1669(4) 0.5437(3) 0.2977(3) 0.0450(9) Uani 1 1 d . C .
C33 C 0.2689(4) 0.6070(3) 0.3159(3) 0.0516(10) Uani 1 1 d . . .
H33 H 0.3327 0.5896 0.2870 0.062 Uiso 1 1 calc R . .
C34 C 0.2779(4) 0.6943(3) 0.3756(3) 0.0546(11) Uani 1 1 d . . .
H34 H 0.3480 0.7352 0.3855 0.065 Uiso 1 1 calc R . .
C35 C 0.5980(18) 0.2624(13) 0.3715(16) 0.073(6) Uani 0.669(9) 1 d P C 1
H35 H 0.6702 0.2871 0.3597 0.087 Uiso 0.669(9) 1 calc PR C 1
C36 C 0.4962(10) 0.3113(9) 0.3422(8) 0.073(3) Uani 0.669(9) 1 d P C 1
H36 H 0.5009 0.3686 0.3112 0.087 Uiso 0.669(9) 1 calc PR C 1
C37 C 0.3857(6) 0.2789(6) 0.3568(5) 0.0441(18) Uani 0.669(9) 1 d P C 1
C38 C 0.3824(17) 0.1921(15) 0.4017(10) 0.044(3) Uani 0.669(9) 1 d P C 1
H38 H 0.3106 0.1660 0.4130 0.052 Uiso 0.669(9) 1 calc PR C 1
C35' C 0.608(3) 0.233(3) 0.358(3) 0.052(7) Uani 0.331(9) 1 d P C 2
H35' H 0.6854 0.2508 0.3525 0.063 Uiso 0.331(9) 1 calc PR C 2
C36' C 0.5132(19) 0.2727(18) 0.2968(15) 0.064(6) Uani 0.331(9) 1 d P C 2
H36' H 0.5266 0.3172 0.2546 0.077 Uiso 0.331(9) 1 calc PR C 2
C37' C 0.3988(12) 0.2411(11) 0.3040(11) 0.046(4) Uani 0.331(9) 1 d P C 2
C38' C 0.392(3) 0.178(3) 0.371(2) 0.043(7) Uani 0.331(9) 1 d P C 2
H38' H 0.3165 0.1568 0.3783 0.051 Uiso 0.331(9) 1 calc PR C 2
C39 C 0.4901(3) 0.1459(3) 0.4290(3) 0.0470(10) Uani 1 1 d . C .
H39 H 0.4861 0.0870 0.4578 0.056 Uiso 1 1 calc R D 1
C40 C 0.1547(4) 0.4482(3) 0.2310(3) 0.0637(12) Uani 1 1 d D . .
H40A H 0.0845 0.4096 0.2389 0.076 Uiso 0.669(9) 1 calc PR C 1
H40B H 0.1371 0.4678 0.1678 0.076 Uiso 0.669(9) 1 calc PR C 1
H40C H 0.1765 0.4593 0.1719 0.076 Uiso 0.331(9) 1 d PR C 2
H40D H 0.0750 0.4155 0.2194 0.076 Uiso 0.331(9) 1 d PR C 2
C41 C 0.2557(7) 0.3775(6) 0.2359(5) 0.053(2) Uani 0.669(9) 1 d PD C 1
H41A H 0.3284 0.4127 0.2285 0.064 Uiso 0.669(9) 1 calc PR C 1
H41B H 0.2358 0.3210 0.1866 0.064 Uiso 0.669(9) 1 calc PR C 1
C42 C 0.2737(6) 0.3400(6) 0.3312(5) 0.049(2) Uani 0.669(9) 1 d P C 1
H42A H 0.2036 0.2979 0.3336 0.059 Uiso 0.669(9) 1 calc PR C 1
H42B H 0.2782 0.3981 0.3785 0.059 Uiso 0.669(9) 1 calc PR C 1
C41' C 0.2593(15) 0.3849(12) 0.2944(13) 0.065(5) Uani 0.331(9) 1 d PD C 2
H41C H 0.3327 0.4276 0.3118 0.078 Uiso 0.331(9) 1 calc PR C 2
H41D H 0.2336 0.3734 0.3520 0.078 Uiso 0.331(9) 1 calc PR C 2
C42' C 0.2886(11) 0.2831(9) 0.2472(10) 0.060(5) Uani 0.331(9) 1 d P C 2
H42C H 0.2207 0.2352 0.2401 0.072 Uiso 0.331(9) 1 calc PR C 2
H42D H 0.3023 0.2914 0.1849 0.072 Uiso 0.331(9) 1 calc PR C 2
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'
F F 0.0171 0.0103 '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 O1 132.38(9) . .
N1 Cd1 N2 92.68(10) . 2_575
O1 Cd1 N2 107.67(10) . 2_575
N1 Cd1 O4 86.62(10) . .
O1 Cd1 O4 125.09(9) . .
N2 Cd1 O4 106.59(11) 2_575 .
N1 Cd1 O3 138.13(10) . .
O1 Cd1 O3 86.24(9) . .
N2 Cd1 O3 88.49(10) 2_575 .
O4 Cd1 O3 53.32(10) . .
N1 Cd1 O5 85.25(9) . .
O1 Cd1 O5 75.77(9) . .
N2 Cd1 O5 176.51(10) 2_575 .
O4 Cd1 O5 70.51(10) . .
O3 Cd1 O5 91.16(9) . .
N1 Cd1 O2 84.04(9) . .
O1 Cd1 O2 52.77(8) . .
N2 Cd1 O2 94.00(10) 2_575 .
O4 Cd1 O2 157.76(10) . .
O3 Cd1 O2 137.66(9) . .
O5 Cd1 O2 88.59(9) . .
O8 Cd2 O6 99.79(9) 2_576 .
O8 Cd2 N4 99.16(10) 2_576 2_666
O6 Cd2 N4 157.26(10) . 2_666
O8 Cd2 N3 110.81(12) 2_576 .
O6 Cd2 N3 99.69(10) . .
N4 Cd2 N3 85.13(11) 2_666 .
O8 Cd2 O10 90.06(11) 2_576 .
O6 Cd2 O10 85.29(10) . .
N4 Cd2 O10 82.24(11) 2_666 .
N3 Cd2 O10 157.12(10) . .
O8 Cd2 O7 152.83(9) 2_576 .
O6 Cd2 O7 53.73(8) . .
N4 Cd2 O7 105.58(10) 2_666 .
N3 Cd2 O7 82.69(10) . .
O10 Cd2 O7 82.44(9) . .
O8 Cd2 C9 126.38(10) 2_576 .
O6 Cd2 C9 26.93(9) . .
N4 Cd2 C9 131.63(11) 2_666 .
N3 Cd2 C9 92.04(11) . .
O10 Cd2 C9 82.34(10) . .
O7 Cd2 C9 26.82(9) . .
C17 N1 C21 116.7(3) . .
C17 N1 Cd1 121.1(2) . .
C21 N1 Cd1 122.2(2) . .
C22 N2 C26 116.3(3) . .
C22 N2 Cd1 119.6(3) . 2_575
C26 N2 Cd1 123.2(2) . 2_575
C30 N3 C34 116.3(4) . .
C30 N3 Cd2 126.4(3) . .
C34 N3 Cd2 117.1(3) . .
C35' N4 C39 120.1(16) . .
C35' N4 C35 18(2) . .
C39 N4 C35 114.1(8) . .
C35' N4 Cd2 113.2(16) . 2_666
C39 N4 Cd2 126.0(3) . 2_666
C35 N4 Cd2 119.3(8) . 2_666
C1 O1 Cd1 97.1(2) . .
C1 O2 Cd1 85.3(2) . .
C2 O3 Cd1 91.0(2) . .
C2 O4 Cd1 92.9(3) . .
Cd1 O5 H5C 90.6 . .
Cd1 O5 H5D 109.3 . .
H5C O5 H5D 107.7 . .
C9 O6 Cd2 98.1(2) . .
C9 O7 Cd2 85.1(2) . .
C10 O8 Cd2 126.4(3) . 2_576
Cd2 O10 H10C 100.3 . .
Cd2 O10 H10D 131.8 . .
H10C O10 H10D 108.5 . .
H11C O11 H11D 108.8 . .
H12C O12 H12D 108.4 . .
O2 C1 O1 121.9(3) . .
O2 C1 C3 119.8(3) . .
O1 C1 C3 118.3(3) . .
O4 C2 O3 122.1(4) . .
O4 C2 C4 118.4(4) . 2_665
O3 C2 C4 119.5(4) . 2_665
C8 C3 C4 119.3(3) . .
C8 C3 C1 119.6(3) . .
C4 C3 C1 121.1(3) . .
C5 C4 C3 117.3(3) . .
C5 C4 C2 118.2(3) . 2_665
C3 C4 C2 124.5(3) . 2_665
F1 C5 C6 118.2(4) . .
F1 C5 C4 118.2(4) . .
C6 C5 C4 123.6(4) . .
F1 C5 H5 0.1 . .
C6 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
C5 C6 C7 118.4(4) . .
C5 C6 H6 120.8 . .
C7 C6 H6 120.8 . .
C6 C7 C8 120.4(4) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
F1' C8 C7 115.2(12) . .
F1' C8 C3 123.7(12) . .
C7 C8 C3 121.1(4) . .
F1' C8 H8 4.9 . .
C7 C8 H8 119.5 . .
C3 C8 H8 119.5 . .
O7 C9 O6 122.9(3) . .
O7 C9 C11 120.3(3) . .
O6 C9 C11 116.8(3) . .
O7 C9 Cd2 68.05(19) . .
O6 C9 Cd2 54.95(17) . .
C11 C9 Cd2 171.7(3) . .
O9 C10 O8 127.7(4) . .
O9 C10 C12 118.7(4) . .
O8 C10 C12 113.6(4) . .
C16 C11 C12 119.6(3) . .
C16 C11 C9 119.0(3) . .
C12 C11 C9 121.4(3) . .
C13 C12 C11 117.5(3) . .
C13 C12 C10 118.7(3) . .
C11 C12 C10 123.8(3) . .
F2 C13 C14 118.1(4) . .
F2 C13 C12 118.7(4) . .
C14 C13 C12 123.2(4) . .
F2 C13 H13 1.7 . .
C14 C13 H13 118.4 . .
C12 C13 H13 118.4 . .
C13 C14 C15 118.6(4) . .
C13 C14 H14 120.7 . .
C15 C14 H14 120.7 . .
C16 C15 C14 119.8(4) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
F2' C16 C15 116.0(10) . .
F2' C16 C11 122.6(10) . .
C15 C16 C11 121.2(4) . .
F2' C16 H16 5.4 . .
C15 C16 H16 119.4 . .
C11 C16 H16 119.4 . .
N1 C17 C18 123.4(4) . .
N1 C17 H17 118.3 . .
C18 C17 H17 118.3 . .
C17 C18 C19 120.2(3) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C18 C19 C20 116.7(3) . .
C18 C19 C27 120.8(3) . .
C20 C19 C27 122.4(3) . .
C21 C20 C19 120.0(4) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
N1 C21 C20 123.1(3) . .
N1 C21 H21 118.5 . .
C20 C21 H21 118.5 . .
N2 C22 C23 124.1(4) . .
N2 C22 H22 118.0 . .
C23 C22 H22 118.0 . .
C22 C23 C24 120.4(4) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C23 C24 C25 116.0(3) . .
C23 C24 C29 122.2(4) . .
C25 C24 C29 121.8(4) . .
C26 C25 C24 120.5(4) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
N2 C26 C25 122.8(4) . .
N2 C26 H26 118.6 . .
C25 C26 H26 118.6 . .
C19 C27 C28 109.4(3) . .
C19 C27 H27A 109.8 . .
C28 C27 H27A 109.8 . .
C19 C27 H27B 109.8 . .
C28 C27 H27B 109.8 . .
H27A C27 H27B 108.2 . .
C29 C28 C27 115.7(3) . .
C29 C28 H28A 108.4 . .
C27 C28 H28A 108.4 . .
C29 C28 H28B 108.4 . .
C27 C28 H28B 108.4 . .
H28A C28 H28B 107.4 . .
C28 C29 C24 111.8(3) . .
C28 C29 H29A 109.3 . .
C24 C29 H29A 109.3 . .
C28 C29 H29B 109.3 . .
C24 C29 H29B 109.3 . .
H29A C29 H29B 107.9 . .
N3 C30 C31 123.0(4) . .
N3 C30 H30 118.5 . .
C31 C30 H30 118.5 . .
C30 C31 C32 120.8(4) . .
C30 C31 H31 119.6 . .
C32 C31 H31 119.6 . .
C33 C32 C31 115.4(4) . .
C33 C32 C40 121.8(4) . .
C31 C32 C40 122.8(4) . .
C34 C33 C32 121.1(4) . .
C34 C33 H33 119.5 . .
C32 C33 H33 119.5 . .
N3 C34 C33 123.4(4) . .
N3 C34 H34 118.3 . .
C33 C34 H34 118.3 . .
C36 C35 N4 122.2(14) . .
C36 C35 H35 118.9 . .
N4 C35 H35 118.9 . .
C35 C36 C37 122.2(11) . .
C35 C36 H36 118.9 . .
C37 C36 H36 118.9 . .
C36 C37 C38 117.0(9) . .
C36 C37 C42 121.6(6) . .
C38 C37 C42 121.3(9) . .
C39 C38 C37 117.5(13) . .
C39 C38 H38 121.2 . .
C37 C38 H38 121.2 . .
N4 C35' C36' 127(3) . .
N4 C35' H35' 116.7 . .
C36' C35' H35' 116.7 . .
C37' C36' C35' 115(2) . .
C37' C36' H36' 122.4 . .
C35' C36' H36' 122.4 . .
C38' C37' C36' 116.1(19) . .
C38' C37' C42' 122.5(18) . .
C36' C37' C42' 121.0(14) . .
C39 C38' C37' 124(2) . .
C39 C38' H38' 118.0 . .
C37' C38' H38' 118.0 . .
N4 C39 C38' 117.8(14) . .
N4 C39 C38 127.0(9) . .
C38' C39 C38 20.7(12) . .
N4 C39 H39 116.5 . .
C38' C39 H39 121.8 . .
C38 C39 H39 116.5 . .
C41 C40 C32 120.2(5) . .
C41 C40 C41' 30.4(5) . .
C32 C40 C41' 97.5(7) . .
C41 C40 H40A 107.3 . .
C32 C40 H40A 107.3 . .
C41' C40 H40A 98.3 . .
C41 C40 H40B 107.3 . .
C32 C40 H40B 107.3 . .
C41' C40 H40B 136.9 . .
H40A C40 H40B 106.9 . .
C41 C40 H40C 82.4 . .
C32 C40 H40C 112.3 . .
C41' C40 H40C 110.4 . .
H40A C40 H40C 126.4 . .
H40B C40 H40C 27.3 . .
C41 C40 H40D 115.1 . .
C32 C40 H40D 112.8 . .
C41' C40 H40D 113.4 . .
H40A C40 H40D 18.0 . .
H40B C40 H40D 89.0 . .
H40C C40 H40D 109.9 . .
C40 C41 C42 106.5(6) . .
C40 C41 H41A 110.4 . .
C42 C41 H41A 110.4 . .
C40 C41 H41B 110.4 . .
C42 C41 H41B 110.4 . .
H41A C41 H41B 108.6 . .
C41 C42 C37 115.0(5) . .
C41 C42 H42A 108.5 . .
C37 C42 H42A 108.5 . .
C41 C42 H42B 108.5 . .
C37 C42 H42B 108.5 . .
H42A C42 H42B 107.5 . .
C42' C41' C40 116.1(13) . .
C42' C41' H41C 108.3 . .
C40 C41' H41C 108.3 . .
C42' C41' H41D 108.3 . .
C40 C41' H41D 108.3 . .
H41C C41' H41D 107.4 . .
C37' C42' C41' 111.3(12) . .
C37' C42' H42C 109.4 . .
C41' C42' H42C 109.4 . .
C37' C42' H42D 109.4 . .
C41' C42' H42D 109.4 . .
H42C C42' H42D 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.316(3) .
Cd1 O1 2.321(2) .
Cd1 N2 2.336(3) 2_575
Cd1 O4 2.418(3) .
Cd1 O3 2.453(3) .
Cd1 O5 2.518(3) .
Cd1 O2 2.583(3) .
Cd2 O8 2.184(3) 2_576
Cd2 O6 2.277(2) .
Cd2 N4 2.305(3) 2_666
Cd2 N3 2.347(3) .
Cd2 O10 2.349(3) .
Cd2 O7 2.563(2) .
Cd2 C9 2.753(4) .
F1 C5 1.343(4) .
F2 C13 1.326(5) .
F1' C8 1.11(2) .
F2' C16 1.158(19) .
N1 C17 1.337(4) .
N1 C21 1.338(5) .
N2 C22 1.325(5) .
N2 C26 1.333(5) .
N2 Cd1 2.336(3) 2_575
N3 C30 1.330(5) .
N3 C34 1.344(5) .
N4 C35' 1.24(4) .
N4 C39 1.325(5) .
N4 C35 1.393(19) .
N4 Cd2 2.305(3) 2_666
O1 C1 1.262(4) .
O2 C1 1.246(4) .
O3 C2 1.254(5) .
O4 C2 1.244(4) .
O5 H5C 0.8500 .
O5 H5D 0.8501 .
O6 C9 1.260(4) .
O7 C9 1.247(4) .
O8 C10 1.261(5) .
O8 Cd2 2.184(3) 2_576
O9 C10 1.229(5) .
O10 H10C 0.8501 .
O10 H10D 0.8500 .
O11 H11C 0.8500 .
O11 H11D 0.8497 .
O12 H12C 0.8500 .
O12 H12D 0.8499 .
C1 C3 1.501(5) .
C2 C4 1.498(5) 2_665
C3 C8 1.382(5) .
C3 C4 1.400(5) .
C4 C5 1.386(5) .
C4 C2 1.498(5) 2_665
C5 C6 1.361(5) .
C5 H5 0.9300 .
C6 C7 1.367(6) .
C6 H6 0.9300 .
C7 C8 1.379(5) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C11 1.513(5) .
C10 C12 1.519(5) .
C11 C16 1.388(5) .
C11 C12 1.401(5) .
C12 C13 1.377(5) .
C13 C14 1.373(6) .
C13 H13 0.9300 .
C14 C15 1.381(6) .
C14 H14 0.9300 .
C15 C16 1.372(5) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.374(5) .
C17 H17 0.9300 .
C18 C19 1.376(5) .
C18 H18 0.9300 .
C19 C20 1.387(5) .
C19 C27 1.510(4) .
C20 C21 1.378(5) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.370(5) .
C22 H22 0.9300 .
C23 C24 1.372(5) .
C23 H23 0.9300 .
C24 C25 1.383(5) .
C24 C29 1.511(5) .
C25 C26 1.383(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.523(5) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.500(5) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.378(6) .
C30 H30 0.9300 .
C31 C32 1.385(5) .
C31 H31 0.9300 .
C32 C33 1.378(6) .
C32 C40 1.496(5) .
C33 C34 1.360(5) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.35(2) .
C35 H35 0.9300 .
C36 C37 1.381(13) .
C36 H36 0.9300 .
C37 C38 1.39(2) .
C37 C42 1.528(9) .
C38 C39 1.387(19) .
C38 H38 0.9300 .
C35' C36' 1.41(5) .
C35' H35' 0.9300 .
C36' C37' 1.38(3) .
C36' H36' 0.9300 .
C37' C38' 1.37(4) .
C37' C42' 1.510(16) .
C38' C39 1.36(4) .
C38' H38' 0.9300 .
C39 H39 0.9300 .
C40 C41 1.494(7) .
C40 C41' 1.658(14) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C40 H40C 0.9700 .
C40 H40D 0.9701 .
C41 C42 1.506(10) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C41' C42' 1.52(2) .
C41' H41C 0.9700 .
C41' H41D 0.9700 .
C42' H42C 0.9700 .
C42' H42D 0.9700 .
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
O1 Cd1 N1 C17 46.9(3) . .
N2 Cd1 N1 C17 -70.1(3) 2_575 .
O4 Cd1 N1 C17 -176.6(3) . .
O3 Cd1 N1 C17 -160.8(2) . .
O5 Cd1 N1 C17 112.7(3) . .
O2 Cd1 N1 C17 23.6(3) . .
O1 Cd1 N1 C21 -135.3(3) . .
N2 Cd1 N1 C21 107.7(3) 2_575 .
O4 Cd1 N1 C21 1.3(3) . .
O3 Cd1 N1 C21 17.0(3) . .
O5 Cd1 N1 C21 -69.4(3) . .
O2 Cd1 N1 C21 -158.5(3) . .
O8 Cd2 N3 C30 34.2(4) 2_576 .
O6 Cd2 N3 C30 -70.3(3) . .
N4 Cd2 N3 C30 132.1(3) 2_666 .
O10 Cd2 N3 C30 -171.3(3) . .
O7 Cd2 N3 C30 -121.5(3) . .
C9 Cd2 N3 C30 -96.3(3) . .
O8 Cd2 N3 C34 -150.9(3) 2_576 .
O6 Cd2 N3 C34 104.6(3) . .
N4 Cd2 N3 C34 -53.0(3) 2_666 .
O10 Cd2 N3 C34 3.6(5) . .
O7 Cd2 N3 C34 53.5(3) . .
C9 Cd2 N3 C34 78.6(3) . .
N1 Cd1 O1 C1 -20.2(3) . .
N2 Cd1 O1 C1 90.8(2) 2_575 .
O4 Cd1 O1 C1 -143.1(2) . .
O3 Cd1 O1 C1 178.0(2) . .
O5 Cd1 O1 C1 -89.9(2) . .
O2 Cd1 O1 C1 9.4(2) . .
N1 Cd1 O2 C1 149.0(2) . .
O1 Cd1 O2 C1 -9.5(2) . .
N2 Cd1 O2 C1 -118.7(2) 2_575 .
O4 Cd1 O2 C1 83.4(3) . .
O3 Cd1 O2 C1 -26.5(3) . .
O5 Cd1 O2 C1 63.7(2) . .
N1 Cd1 O3 C2 -24.1(3) . .
O1 Cd1 O3 C2 135.7(2) . .
N2 Cd1 O3 C2 -116.5(2) 2_575 .
O4 Cd1 O3 C2 -4.4(2) . .
O5 Cd1 O3 C2 60.1(2) . .
O2 Cd1 O3 C2 149.3(2) . .
N1 Cd1 O4 C2 171.4(2) . .
O1 Cd1 O4 C2 -47.0(3) . .
N2 Cd1 O4 C2 79.6(2) 2_575 .
O3 Cd1 O4 C2 4.4(2) . .
O5 Cd1 O4 C2 -102.5(2) . .
O2 Cd1 O4 C2 -123.4(3) . .
O8 Cd2 O6 C9 171.6(2) 2_576 .
N4 Cd2 O6 C9 25.5(4) 2_666 .
N3 Cd2 O6 C9 -75.1(2) . .
O10 Cd2 O6 C9 82.3(2) . .
O7 Cd2 O6 C9 -1.7(2) . .
O8 Cd2 O7 C9 -12.8(4) 2_576 .
O6 Cd2 O7 C9 1.7(2) . .
N4 Cd2 O7 C9 -167.7(2) 2_666 .
N3 Cd2 O7 C9 109.5(2) . .
O10 Cd2 O7 C9 -88.0(2) . .
Cd1 O2 C1 O1 16.5(3) . .
Cd1 O2 C1 C3 -161.6(3) . .
Cd1 O1 C1 O2 -18.5(4) . .
Cd1 O1 C1 C3 159.6(3) . .
Cd1 O4 C2 O3 -8.2(4) . .
Cd1 O4 C2 C4 173.8(3) . 2_665
Cd1 O3 C2 O4 8.1(4) . .
Cd1 O3 C2 C4 -173.9(3) . 2_665
O2 C1 C3 C8 -27.1(5) . .
O1 C1 C3 C8 154.8(4) . .
O2 C1 C3 C4 153.7(3) . .
O1 C1 C3 C4 -24.4(5) . .
C8 C3 C4 C5 1.2(5) . .
C1 C3 C4 C5 -179.6(3) . .
C8 C3 C4 C2 -179.5(4) . 2_665
C1 C3 C4 C2 -0.3(5) . 2_665
C3 C4 C5 F1 178.0(3) . .
C2 C4 C5 F1 -1.3(5) 2_665 .
C3 C4 C5 C6 -1.9(6) . .
C2 C4 C5 C6 178.8(4) 2_665 .
F1 C5 C6 C7 -179.6(4) . .
C4 C5 C6 C7 0.3(7) . .
C5 C6 C7 C8 2.0(7) . .
C6 C7 C8 F1' 174.7(16) . .
C6 C7 C8 C3 -2.6(7) . .
C4 C3 C8 F1' -176.1(18) . .
C1 C3 C8 F1' 4.6(18) . .
C4 C3 C8 C7 0.9(6) . .
C1 C3 C8 C7 -178.3(4) . .
Cd2 O7 C9 O6 -3.0(4) . .
Cd2 O7 C9 C11 179.7(3) . .
Cd2 O6 C9 O7 3.4(4) . .
Cd2 O6 C9 C11 -179.2(3) . .
O8 Cd2 C9 O7 172.8(2) 2_576 .
O6 Cd2 C9 O7 -176.9(4) . .
N4 Cd2 C9 O7 15.9(3) 2_666 .
N3 Cd2 C9 O7 -69.3(2) . .
O10 Cd2 C9 O7 88.4(2) . .
O8 Cd2 C9 O6 -10.3(3) 2_576 .
N4 Cd2 C9 O6 -167.1(2) 2_666 .
N3 Cd2 C9 O6 107.6(2) . .
O10 Cd2 C9 O6 -94.7(2) . .
O7 Cd2 C9 O6 176.9(4) . .
O8 Cd2 C9 C11 -5.3(18) 2_576 .
O6 Cd2 C9 C11 5.0(16) . .
N4 Cd2 C9 C11 -162.2(17) 2_666 .
N3 Cd2 C9 C11 112.5(18) . .
O10 Cd2 C9 C11 -89.7(18) . .
O7 Cd2 C9 C11 -178.1(19) . .
Cd2 O8 C10 O9 -12.1(6) 2_576 .
Cd2 O8 C10 C12 170.5(2) 2_576 .
O7 C9 C11 C16 23.9(5) . .
O6 C9 C11 C16 -153.5(4) . .
Cd2 C9 C11 C16 -158.1(16) . .
O7 C9 C11 C12 -158.5(4) . .
O6 C9 C11 C12 24.1(5) . .
Cd2 C9 C11 C12 20(2) . .
C16 C11 C12 C13 -0.8(6) . .
C9 C11 C12 C13 -178.4(4) . .
C16 C11 C12 C10 179.8(4) . .
C9 C11 C12 C10 2.2(6) . .
O9 C10 C12 C13 -102.9(4) . .
O8 C10 C12 C13 74.7(5) . .
O9 C10 C12 C11 76.6(5) . .
O8 C10 C12 C11 -105.8(4) . .
C11 C12 C13 F2 -175.3(4) . .
C10 C12 C13 F2 4.2(6) . .
C11 C12 C13 C14 2.8(6) . .
C10 C12 C13 C14 -177.7(4) . .
F2 C13 C14 C15 176.3(4) . .
C12 C13 C14 C15 -1.8(7) . .
C13 C14 C15 C16 -1.3(7) . .
C14 C15 C16 F2' -172.0(15) . .
C14 C15 C16 C11 3.3(7) . .
C12 C11 C16 F2' 172.7(16) . .
C9 C11 C16 F2' -9.7(17) . .
C12 C11 C16 C15 -2.2(6) . .
C9 C11 C16 C15 175.5(4) . .
C21 N1 C17 C18 -1.3(5) . .
Cd1 N1 C17 C18 176.6(3) . .
N1 C17 C18 C19 -0.6(6) . .
C17 C18 C19 C20 1.9(5) . .
C17 C18 C19 C27 -173.4(3) . .
C18 C19 C20 C21 -1.5(5) . .
C27 C19 C20 C21 173.7(3) . .
C17 N1 C21 C20 1.8(5) . .
Cd1 N1 C21 C20 -176.1(3) . .
C19 C20 C21 N1 -0.4(6) . .
C26 N2 C22 C23 0.9(7) . .
Cd1 N2 C22 C23 -169.2(4) 2_575 .
N2 C22 C23 C24 -0.1(7) . .
C22 C23 C24 C25 -0.7(6) . .
C22 C23 C24 C29 177.6(4) . .
C23 C24 C25 C26 0.7(6) . .
C29 C24 C25 C26 -177.6(3) . .
C22 N2 C26 C25 -0.8(6) . .
Cd1 N2 C26 C25 168.8(3) 2_575 .
C24 C25 C26 N2 0.0(6) . .
C18 C19 C27 C28 76.4(4) . .
C20 C19 C27 C28 -98.5(4) . .
C19 C27 C28 C29 176.5(4) . .
C27 C28 C29 C24 179.4(4) . .
C23 C24 C29 C28 -109.6(5) . .
C25 C24 C29 C28 68.6(5) . .
C34 N3 C30 C31 0.3(6) . .
Cd2 N3 C30 C31 175.3(3) . .
N3 C30 C31 C32 -0.9(7) . .
C30 C31 C32 C33 1.2(6) . .
C30 C31 C32 C40 -178.9(4) . .
C31 C32 C33 C34 -1.1(6) . .
C40 C32 C33 C34 179.0(4) . .
C30 N3 C34 C33 -0.2(6) . .
Cd2 N3 C34 C33 -175.6(3) . .
C32 C33 C34 N3 0.6(7) . .
C35' N4 C35 C36 116(9) . .
C39 N4 C35 C36 2(2) . .
Cd2 N4 C35 C36 -169.2(14) 2_666 .
N4 C35 C36 C37 0(3) . .
C35 C36 C37 C38 -1(2) . .
C35 C36 C37 C42 174.5(14) . .
C36 C37 C38 C39 0.7(16) . .
C42 C37 C38 C39 -175.0(8) . .
C39 N4 C35' C36' 2(4) . .
C35 N4 C35' C36' -74(7) . .
Cd2 N4 C35' C36' 173(3) 2_666 .
N4 C35' C36' C37' -3(4) . .
C35' C36' C37' C38' 2(3) . .
C35' C36' C37' C42' 176(2) . .
C36' C37' C38' C39 -1(3) . .
C42' C37' C38' C39 -174.4(18) . .
C35' N4 C39 C38' 0(2) . .
C35 N4 C39 C38' 19.5(17) . .
Cd2 N4 C39 C38' -170.0(14) 2_666 .
C35' N4 C39 C38 -22(2) . .
C35 N4 C39 C38 -2.6(13) . .
Cd2 N4 C39 C38 168.0(7) 2_666 .
C37' C38' C39 N4 0(3) . .
C37' C38' C39 C38 122(8) . .
C37 C38 C39 N4 1.3(15) . .
C37 C38 C39 C38' -69(6) . .
C33 C32 C40 C41 45.8(7) . .
C31 C32 C40 C41 -134.1(5) . .
C33 C32 C40 C41' 67.4(8) . .
C31 C32 C40 C41' -112.5(8) . .
C32 C40 C41 C42 62.7(7) . .
C41' C40 C41 C42 16.6(14) . .
C40 C41 C42 C37 -171.1(6) . .
C36 C37 C42 C41 45.8(12) . .
C38 C37 C42 C41 -138.7(10) . .
C41 C40 C41' C42' -32.5(12) . .
C32 C40 C41' C42' -173.5(13) . .
C38' C37' C42' C41' 91(2) . .
C36' C37' C42' C41' -83(2) . .
C40 C41' C42' C37' 170.1(12) . .
