#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:30:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180042 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/36/7033606.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_7033606
loop_
_publ_author_name
'Zhang, Chuan-Lei'
'Qin, Ling'
'Shi, Zhen-Zhen'
'Zheng, He-Gen'
_publ_section_title
;
 Diverse structures of metal-organic frameworks based on different metal
 ions: luminescence and gas adsorption properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4238
_journal_page_last               4245
_journal_paper_doi               10.1039/c4dt03627a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C32 H24 Cd N2 O7'
_chemical_formula_weight         660.93
_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
;
2014-05-07 deposited with the CCDC.
2015-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                108.632(4)
_cell_angle_beta                 97.755(4)
_cell_angle_gamma                91.789(4)
_cell_formula_units_Z            2
_cell_length_a                   9.317(3)
_cell_length_b                   12.722(4)
_cell_length_c                   15.451(4)
_cell_measurement_reflns_used    3444
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.21
_cell_measurement_theta_min      2.53
_cell_volume                     1714.2(9)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0919
_diffrn_reflns_av_sigmaI/netI    0.1320
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13367
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  0.8648
_exptl_absorpt_correction_T_min  0.8324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_meas      1.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_platon_squeeze_details          ' '
_refine_diff_density_max         2.130
_refine_diff_density_min         -2.467
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6897
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0840
_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)+(0.1250P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2166
_refine_ls_wR_factor_ref         0.2269
_reflns_number_gt                5091
_reflns_number_total             6897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03627a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033604--7033607.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033606
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 1.14157(5) 0.52590(3) 0.39962(3) 0.0336(2) Uani 1 1 d .
O5 O 1.4626(7) 0.6682(8) -0.0317(4) 0.100(3) Uani 1 1 d .
O1 O 1.3062(6) 0.6157(5) 0.3372(4) 0.0543(13) Uani 1 1 d .
O2 O 1.1526(6) 0.4832(5) 0.2380(4) 0.0527(13) Uani 1 1 d .
O3 O 1.2461(5) 0.5944(4) -0.4535(4) 0.0488(12) Uani 1 1 d .
O4 O 1.0325(5) 0.6000(4) -0.4029(4) 0.0467(12) Uani 1 1 d .
O7 O 0.3241(5) 0.9943(4) 0.3888(4) 0.0533(13) Uani 1 1 d .
O6 O 0.8945(7) 1.0021(6) 0.3278(7) 0.105(3) Uani 1 1 d .
N1 N 1.2821(6) 0.3726(4) 0.3882(4) 0.0401(13) Uani 1 1 d .
N2 N 0.9705(6) 0.6533(5) 0.3830(5) 0.0478(15) Uani 1 1 d .
C3 C 0.7886(7) 0.8196(5) 0.3684(6) 0.0453(17) Uani 1 1 d .
C2 C 0.8406(12) 0.7495(8) 0.2915(7) 0.091(4) Uani 1 1 d .
H2 H 0.8151 0.7578 0.2338 0.109 Uiso 1 1 calc R
C4 C 0.8297(13) 0.8013(9) 0.4462(7) 0.087(4) Uani 1 1 d .
H4 H 0.7993 0.8460 0.5000 0.105 Uiso 1 1 calc R
C1 C 0.9295(11) 0.6683(7) 0.3007(7) 0.078(3) Uani 1 1 d .
H1 H 0.9625 0.6221 0.2486 0.093 Uiso 1 1 calc R
C32 C 1.1673(7) 0.6034(5) -0.3906(5) 0.0343(14) Uani 1 1 d .
C7 C 0.5540(7) 0.9064(5) 0.3773(5) 0.0415(15) Uani 1 1 d .
H7 H 0.5159 0.8448 0.3891 0.050 Uiso 1 1 calc R
C19 C 1.2516(8) 0.5591(6) 0.2562(5) 0.0426(16) Uani 1 1 d .
C8 C 0.4679(7) 0.9933(5) 0.3770(5) 0.0391(15) Uani 1 1 d .
C6 C 0.6959(7) 0.9102(5) 0.3602(6) 0.0447(17) Uani 1 1 d .
C16 C 0.4637(8) 1.2767(6) 0.4503(6) 0.0481(19) Uani 1 1 d .
H16 H 0.5342 1.2776 0.4993 0.058 Uiso 1 1 calc R
C21 C 1.4210(10) 0.6637(9) 0.1939(6) 0.072(3) Uani 1 1 d .
H21 H 1.4655 0.7003 0.2543 0.086 Uiso 1 1 calc R
C9 C 0.5260(8) 1.0873(6) 0.3626(6) 0.0461(17) Uani 1 1 d .
C14 C 0.4398(7) 1.1862(5) 0.3707(6) 0.0447(17) Uani 1 1 d .
C28 C 1.3938(8) 0.6107(7) -0.2780(6) 0.0511(18) Uani 1 1 d .
H28 H 1.4466 0.5931 -0.3270 0.061 Uiso 1 1 calc R
C25 C 1.2432(11) 0.5290(8) 0.0879(6) 0.069(3) Uani 1 1 d .
H25 H 1.1678 0.4743 0.0754 0.083 Uiso 1 1 calc R
C29 C 1.2454(7) 0.6231(6) -0.2950(5) 0.0385(15) Uani 1 1 d .
C20 C 1.3072(8) 0.5851(7) 0.1773(5) 0.0470(17) Uani 1 1 d .
C17 C 1.2588(8) 0.2842(6) 0.3108(6) 0.0496(18) Uani 1 1 d .
H17 H 1.1898 0.2863 0.2620 0.059 Uiso 1 1 calc R
C18 C 1.3804(8) 0.3665(6) 0.4561(6) 0.0462(17) Uani 1 1 d .
H18 H 1.3948 0.4260 0.5111 0.055 Uiso 1 1 calc R
C15 C 0.3334(8) 1.1907(6) 0.3009(6) 0.0520(19) Uani 1 1 d .
H15 H 0.3120 1.1301 0.2470 0.062 Uiso 1 1 calc R
C22 C 1.4697(11) 0.6887(10) 0.1228(6) 0.079(3) Uani 1 1 d .
H22 H 1.5479 0.7413 0.1351 0.095 Uiso 1 1 calc R
C27 C 1.4642(9) 0.6241(8) -0.1901(6) 0.059(2) Uani 1 1 d .
H27 H 1.5631 0.6151 -0.1801 0.071 Uiso 1 1 calc R
C24 C 1.2946(12) 0.5565(10) 0.0157(7) 0.086(3) Uani 1 1 d .
H24 H 1.2528 0.5189 -0.0451 0.103 Uiso 1 1 calc R
C31 C 1.2379(10) 0.6691(10) -0.1334(6) 0.076(3) Uani 1 1 d .
H31 H 1.1859 0.6910 -0.0841 0.091 Uiso 1 1 calc R
C30 C 1.1724(8) 0.6547(7) -0.2201(5) 0.055(2) Uani 1 1 d .
H30 H 1.0744 0.6665 -0.2297 0.066 Uiso 1 1 calc R
C10 C 0.6667(8) 1.0913(6) 0.3456(8) 0.066(3) Uani 1 1 d .
H10 H 0.7060 1.1544 0.3365 0.079 Uiso 1 1 calc R
C12 C 0.9494(12) 1.0834(10) 0.2969(12) 0.119(6) Uani 1 1 d .
H12A H 0.8772 1.0967 0.2519 0.178 Uiso 1 1 calc R
H12B H 1.0341 1.0591 0.2692 0.178 Uiso 1 1 calc R
H12C H 0.9752 1.1508 0.3480 0.178 Uiso 1 1 calc R
C23 C 1.4041(9) 0.6368(9) 0.0329(6) 0.069(3) Uani 1 1 d .
C11 C 0.7514(8) 1.0020(6) 0.3418(7) 0.062(2) Uani 1 1 d .
C26 C 1.3866(9) 0.6506(9) -0.1183(6) 0.065(2) Uani 1 1 d .
C13 C 0.2563(9) 0.8985(8) 0.3942(8) 0.075(3) Uani 1 1 d .
H13A H 0.2580 0.8384 0.3379 0.112 Uiso 1 1 calc R
H13B H 0.1574 0.9108 0.4032 0.112 Uiso 1 1 calc R
H13C H 0.3066 0.8802 0.4453 0.112 Uiso 1 1 calc R
C5 C 0.9166(14) 0.7175(10) 0.4502(8) 0.097(4) Uani 1 1 d .
H5 H 0.9382 0.7065 0.5071 0.117 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'
Cd Cd -0.8075 1.2024 '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'
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
O3 Cd1 O4 102.98(19) 1_556 2_765
O3 Cd1 N1 86.9(2) 1_556 .
O4 Cd1 N1 80.78(18) 2_765 .
O3 Cd1 N2 104.5(2) 1_556 .
O4 Cd1 N2 92.42(19) 2_765 .
N1 Cd1 N2 167.9(2) . .
O3 Cd1 O1 97.44(19) 1_556 .
O4 Cd1 O1 158.4(2) 2_765 .
N1 Cd1 O1 93.4(2) . .
N2 Cd1 O1 89.3(2) . .
O3 Cd1 O2 150.5(2) 1_556 .
O4 Cd1 O2 103.4(2) 2_765 .
N1 Cd1 O2 84.7(2) . .
N2 Cd1 O2 87.2(2) . .
O1 Cd1 O2 55.09(19) . .
C23 O5 C26 121.5(7) . .
C19 O1 Cd1 91.7(4) . .
C19 O2 Cd1 90.1(5) . .
C32 O3 Cd1 118.5(4) . 1_554
C32 O4 Cd1 132.7(4) . 2_765
C8 O7 C13 118.1(5) . .
C11 O6 C12 118.8(7) . .
C18 N1 C17 117.2(6) . .
C18 N1 Cd1 123.4(5) . .
C17 N1 Cd1 119.4(4) . .
C5 N2 C1 114.9(6) . .
C5 N2 Cd1 123.6(6) . .
C1 N2 Cd1 121.4(5) . .
C4 C3 C2 115.5(7) . .
C4 C3 C6 123.6(8) . .
C2 C3 C6 120.9(7) . .
C1 C2 C3 120.2(9) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C3 C4 C5 121.3(9) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
N2 C1 C2 122.2(9) . .
N2 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
O4 C32 O3 124.8(7) . .
O4 C32 C29 118.6(6) . .
O3 C32 C29 116.6(5) . .
C6 C7 C8 120.8(6) . .
C6 C7 H7 119.6 . .
C8 C7 H7 119.6 . .
O2 C19 O1 123.0(7) . .
O2 C19 C20 118.7(7) . .
O1 C19 C20 118.3(6) . .
O7 C8 C7 124.8(6) . .
O7 C8 C9 115.5(5) . .
C7 C8 C9 119.7(6) . .
C7 C6 C11 119.2(6) . .
C7 C6 C3 119.3(6) . .
C11 C6 C3 121.4(6) . .
C14 C16 C18 118.7(7) . 1_465
C14 C16 H16 120.7 . .
C18 C16 H16 120.7 1_465 .
C22 C21 C20 120.8(8) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C10 C9 C8 119.6(6) . .
C10 C9 C14 119.7(6) . .
C8 C9 C14 120.6(6) . .
C16 C14 C15 117.4(6) . .
C16 C14 C9 120.1(6) . .
C15 C14 C9 122.4(7) . .
C27 C28 C29 121.7(7) . .
C27 C28 H28 119.2 . .
C29 C28 H28 119.2 . .
C20 C25 C24 118.5(8) . .
C20 C25 H25 120.7 . .
C24 C25 H25 120.7 . .
C30 C29 C28 117.5(7) . .
C30 C29 C32 120.7(6) . .
C28 C29 C32 121.8(6) . .
C21 C20 C25 119.7(7) . .
C21 C20 C19 120.7(7) . .
C25 C20 C19 119.6(7) . .
N1 C17 C15 122.3(7) . 1_645
N1 C17 H17 118.8 . .
C15 C17 H17 118.8 1_645 .
N1 C18 C16 124.0(7) . 1_645
N1 C18 H18 118.0 . .
C16 C18 H18 118.0 1_645 .
C17 C15 C14 120.4(7) 1_465 .
C17 C15 H15 119.8 1_465 .
C14 C15 H15 119.8 . .
C21 C22 C23 120.6(9) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C26 C27 C28 119.0(7) . .
C26 C27 H27 120.5 . .
C28 C27 H27 120.5 . .
C23 C24 C25 121.3(9) . .
C23 C24 H24 119.3 . .
C25 C24 H24 119.3 . .
C30 C31 C26 119.2(8) . .
C30 C31 H31 120.4 . .
C26 C31 H31 120.4 . .
C31 C30 C29 122.3(7) . .
C31 C30 H30 118.8 . .
C29 C30 H30 118.8 . .
C9 C10 C11 120.8(7) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
O6 C12 H12A 109.5 . .
O6 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
O6 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C24 C23 O5 125.8(9) . .
C24 C23 C22 118.9(8) . .
O5 C23 C22 115.2(8) . .
O6 C11 C6 116.4(6) . .
O6 C11 C10 123.6(7) . .
C6 C11 C10 119.8(7) . .
C27 C26 O5 116.8(7) . .
C27 C26 C31 120.2(7) . .
O5 C26 C31 122.7(8) . .
O7 C13 H13A 109.5 . .
O7 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
O7 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N2 C5 C4 125.8(9) . .
N2 C5 H5 117.1 . .
C4 C5 H5 117.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O3 2.224(5) 1_556
Cd1 O4 2.260(5) 2_765
Cd1 N1 2.356(5) .
Cd1 N2 2.356(5) .
Cd1 O1 2.362(5) .
Cd1 O2 2.398(5) .
O5 C23 1.357(10) .
O5 C26 1.373(10) .
O1 C19 1.255(9) .
O2 C19 1.251(9) .
O3 C32 1.273(8) .
O3 Cd1 2.224(5) 1_554
O4 C32 1.242(8) .
O4 Cd1 2.260(5) 2_765
O7 C8 1.376(8) .
O7 C13 1.386(9) .
O6 C11 1.379(9) .
O6 C12 1.381(12) .
N1 C18 1.320(9) .
N1 C17 1.341(10) .
N2 C5 1.273(11) .
N2 C1 1.352(11) .
C3 C4 1.307(12) .
C3 C2 1.395(13) .
C3 C6 1.488(8) .
C2 C1 1.375(10) .
C2 H2 0.9300 .
C4 C5 1.371(11) .
C4 H4 0.9300 .
C1 H1 0.9300 .
C32 C29 1.495(10) .
C7 C6 1.386(10) .
C7 C8 1.387(8) .
C7 H7 0.9300 .
C19 C20 1.509(9) .
C8 C9 1.391(10) .
C6 C11 1.388(10) .
C16 C14 1.376(11) .
C16 C18 1.387(9) 1_465
C16 H16 0.9300 .
C21 C22 1.365(12) .
C21 C20 1.374(11) .
C21 H21 0.9300 .
C9 C10 1.374(11) .
C9 C14 1.494(8) .
C14 C15 1.379(10) .
C28 C27 1.380(11) .
C28 C29 1.396(9) .
C28 H28 0.9300 .
C25 C20 1.377(11) .
C25 C24 1.407(12) .
C25 H25 0.9300 .
C29 C30 1.378(10) .
C17 C15 1.373(9) 1_645
C17 H17 0.9300 .
C18 C16 1.387(9) 1_645
C18 H18 0.9300 .
C15 C17 1.373(9) 1_465
C15 H15 0.9300 .
C22 C23 1.378(12) .
C22 H22 0.9300 .
C27 C26 1.365(12) .
C27 H27 0.9300 .
C24 C23 1.357(13) .
C24 H24 0.9300 .
C31 C30 1.347(11) .
C31 C26 1.413(12) .
C31 H31 0.9300 .
C30 H30 0.9300 .
C10 C11 1.394(9) .
C10 H10 0.9300 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C5 H5 0.9300 .
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
O3 Cd1 O1 C19 170.5(4) 1_556 .
O4 Cd1 O1 C19 9.7(7) 2_765 .
N1 Cd1 O1 C19 83.2(4) . .
N2 Cd1 O1 C19 -85.0(4) . .
O2 Cd1 O1 C19 2.0(4) . .
O3 Cd1 O2 C19 -25.9(6) 1_556 .
O4 Cd1 O2 C19 -179.2(4) 2_765 .
N1 Cd1 O2 C19 -100.0(4) . .
N2 Cd1 O2 C19 89.0(4) . .
O1 Cd1 O2 C19 -2.1(4) . .
O3 Cd1 N1 C18 -4.5(5) 1_556 .
O4 Cd1 N1 C18 -108.2(6) 2_765 .
N2 Cd1 N1 C18 -164.6(9) . .
O1 Cd1 N1 C18 92.8(6) . .
O2 Cd1 N1 C18 147.2(6) . .
O3 Cd1 N1 C17 172.7(6) 1_556 .
O4 Cd1 N1 C17 69.1(6) 2_765 .
N2 Cd1 N1 C17 12.7(13) . .
O1 Cd1 N1 C17 -90.0(6) . .
O2 Cd1 N1 C17 -35.5(6) . .
O3 Cd1 N2 C5 -23.4(9) 1_556 .
O4 Cd1 N2 C5 80.6(9) 2_765 .
N1 Cd1 N2 C5 136.0(12) . .
O1 Cd1 N2 C5 -120.9(9) . .
O2 Cd1 N2 C5 -176.0(9) . .
O3 Cd1 N2 C1 152.1(7) 1_556 .
O4 Cd1 N2 C1 -103.8(7) 2_765 .
N1 Cd1 N2 C1 -48.4(13) . .
O1 Cd1 N2 C1 54.6(7) . .
O2 Cd1 N2 C1 -0.5(7) . .
C4 C3 C2 C1 -0.4(16) . .
C6 C3 C2 C1 178.2(9) . .
C2 C3 C4 C5 -0.7(18) . .
C6 C3 C4 C5 -179.2(10) . .
C5 N2 C1 C2 2.3(16) . .
Cd1 N2 C1 C2 -173.7(9) . .
C3 C2 C1 N2 -0.4(17) . .
Cd1 O4 C32 O3 111.0(7) 2_765 .
Cd1 O4 C32 C29 -71.0(8) 2_765 .
Cd1 O3 C32 O4 -16.3(8) 1_554 .
Cd1 O3 C32 C29 165.7(4) 1_554 .
Cd1 O2 C19 O1 3.8(7) . .
Cd1 O2 C19 C20 -175.5(6) . .
Cd1 O1 C19 O2 -3.8(7) . .
Cd1 O1 C19 C20 175.5(6) . .
C13 O7 C8 C7 -5.3(12) . .
C13 O7 C8 C9 173.7(8) . .
C6 C7 C8 O7 176.7(7) . .
C6 C7 C8 C9 -2.2(11) . .
C8 C7 C6 C11 -0.6(12) . .
C8 C7 C6 C3 175.2(7) . .
C4 C3 C6 C7 -65.6(13) . .
C2 C3 C6 C7 116.0(10) . .
C4 C3 C6 C11 110.1(12) . .
C2 C3 C6 C11 -68.3(12) . .
O7 C8 C9 C10 -176.8(8) . .
C7 C8 C9 C10 2.2(12) . .
O7 C8 C9 C14 6.6(10) . .
C7 C8 C9 C14 -174.3(7) . .
C18 C16 C14 C15 -0.1(11) 1_465 .
C18 C16 C14 C9 -179.1(7) 1_465 .
C10 C9 C14 C16 -77.1(11) . .
C8 C9 C14 C16 99.4(9) . .
C10 C9 C14 C15 103.9(10) . .
C8 C9 C14 C15 -79.6(10) . .
C27 C28 C29 C30 3.2(12) . .
C27 C28 C29 C32 -177.0(7) . .
O4 C32 C29 C30 -10.4(10) . .
O3 C32 C29 C30 167.7(7) . .
O4 C32 C29 C28 169.7(7) . .
O3 C32 C29 C28 -12.1(10) . .
C22 C21 C20 C25 1.4(16) . .
C22 C21 C20 C19 -178.8(9) . .
C24 C25 C20 C21 -1.7(15) . .
C24 C25 C20 C19 178.5(9) . .
O2 C19 C20 C21 -176.5(8) . .
O1 C19 C20 C21 4.2(12) . .
O2 C19 C20 C25 3.3(11) . .
O1 C19 C20 C25 -176.0(8) . .
C18 N1 C17 C15 -0.3(11) . 1_645
Cd1 N1 C17 C15 -177.7(6) . 1_645
C17 N1 C18 C16 2.6(11) . 1_645
Cd1 N1 C18 C16 179.9(6) . 1_645
C16 C14 C15 C17 2.2(12) . 1_465
C9 C14 C15 C17 -178.8(8) . 1_465
C20 C21 C22 C23 1.0(18) . .
C29 C28 C27 C26 -0.4(14) . .
C20 C25 C24 C23 -0.4(18) . .
C26 C31 C30 C29 -0.4(16) . .
C28 C29 C30 C31 -2.7(13) . .
C32 C29 C30 C31 177.5(8) . .
C8 C9 C10 C11 0.6(15) . .
C14 C9 C10 C11 177.2(9) . .
C25 C24 C23 O5 178.9(10) . .
C25 C24 C23 C22 2.8(18) . .
C26 O5 C23 C24 23.4(18) . .
C26 O5 C23 C22 -160.4(11) . .
C21 C22 C23 C24 -3.1(18) . .
C21 C22 C23 O5 -179.6(11) . .
C12 O6 C11 C6 171.2(11) . .
C12 O6 C11 C10 -14.0(18) . .
C7 C6 C11 O6 178.4(9) . .
C3 C6 C11 O6 2.6(14) . .
C7 C6 C11 C10 3.4(14) . .
C3 C6 C11 C10 -172.3(9) . .
C9 C10 C11 O6 -178.0(10) . .
C9 C10 C11 C6 -3.4(16) . .
C28 C27 C26 O5 -177.0(8) . .
C28 C27 C26 C31 -2.9(15) . .
C23 O5 C26 C27 -144.1(10) . .
C23 O5 C26 C31 41.9(16) . .
C30 C31 C26 C27 3.3(16) . .
C30 C31 C26 O5 177.1(9) . .
C1 N2 C5 C4 -3.6(19) . .
Cd1 N2 C5 C4 172.3(11) . .
C3 C4 C5 N2 3(2) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.013 0.000 0.000 473 97 ' '
