#------------------------------------------------------------------------------
#$Date: 2019-11-10 01:14:47 +0200 (Sun, 10 Nov 2019) $
#$Revision: 225515 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/53/4515362.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_4515362
loop_
_publ_author_name
'Yang, Xiao-Dong'
'Chen, Ming'
'Zhu, Rui'
'Zhang, Jie'
'Chen, Banglin'
_publ_section_title
;
 Robust Nanoporous Supramolecular Network Through Charge-Transfer
 Interaction.
;
_journal_issue                   50
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              43987
_journal_page_last               43992
_journal_paper_doi               10.1021/acsami.8b14316
_journal_volume                  10
_journal_year                    2018
_chemical_formula_moiety         'C34 H36 Cd N2 O15'
_chemical_formula_sum            'C34 H36 Cd N2 O15'
_chemical_formula_weight         825.05
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   dimap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   59.930(2)
_cell_length_b                   59.930(2)
_cell_length_c                   6.7458(2)
_cell_measurement_reflns_used    9656
_cell_measurement_temperature    296
_cell_measurement_theta_max      29.5708
_cell_measurement_theta_min      3.0390
_cell_volume                     20982.3(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        'SHELXT 2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2010'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.4170
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_av_unetI/netI     0.0780
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.858
_diffrn_reflns_limit_h_max       75
_diffrn_reflns_limit_h_min       -69
_diffrn_reflns_limit_k_max       77
_diffrn_reflns_limit_k_min       -78
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            36676
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.858
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.624
_diffrn_reflns_theta_min         3.045
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             7596
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.096
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         11294
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0219P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0852
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7655
_reflns_number_total             11294
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am8b14316_si_002.cif
_cod_data_source_block           PSN-Cd
_cod_original_cell_volume        20982.4(17)
_cod_database_code               4515362
_shelx_shelxl_version_number     2016/6
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.43025(2) 0.40946(2) 0.42517(2) 0.02949(6) Uani 1 1 d . . .
O1 O 0.47093(3) 0.44395(3) 0.4697(2) 0.0388(4) Uani 1 1 d . . .
O1W O 0.42555(4) 0.40817(4) 0.0885(3) 0.0487(5) Uani 1 1 d D . .
O2 O 0.45132(3) 0.42378(3) 0.7415(2) 0.0428(5) Uani 1 1 d . . .
O3A O 0.79606(12) 0.55918(16) 1.3626(7) 0.114(3) Uani 0.5 1 d . . P
O3B O 0.81132(13) 0.58122(14) 1.3072(10) 0.108(2) Uiso 0.5 1 d . . P
O4 O 0.81153(5) 0.55026(6) 1.1136(4) 0.0992(9) Uani 1 1 d . . .
O5 O 0.41658(4) 0.44383(4) 0.4460(3) 0.0556(5) Uani 1 1 d . . .
O6 O 0.39141(4) 0.40383(4) 0.5289(3) 0.0517(5) Uani 1 1 d . . .
O7 O 0.36499(4) 0.48735(4) 0.6138(3) 0.0544(5) Uani 1 1 d . . .
H7 H 0.380148 0.497627 0.577265 0.082 Uiso 1 1 calc R U .
O8 O 0.28637(4) 0.40062(4) 0.7012(3) 0.0513(5) Uani 1 1 d . . .
O9 O 0.30173(4) 0.37518(4) 0.7615(3) 0.0505(5) Uani 1 1 d . . .
N1 N 0.58043(4) 0.52692(4) 1.0418(3) 0.0380(5) Uani 1 1 d . . .
N2 N 0.70501(5) 0.56468(6) 0.7298(3) 0.0595(7) Uani 1 1 d . . .
C1 C 0.47036(5) 0.44231(5) 0.6531(3) 0.0324(6) Uani 1 1 d . . .
C2 C 0.49233(5) 0.46200(5) 0.7735(3) 0.0311(6) Uani 1 1 d . . .
C3 C 0.49315(5) 0.45924(5) 0.9751(3) 0.0402(7) Uani 1 1 d . . .
H3 H 0.479463 0.444812 1.039886 0.048 Uiso 1 1 calc R U .
C4 C 0.51183(5) 0.48341(5) 0.6839(3) 0.0416(7) Uani 1 1 d . . .
H4 H 0.511401 0.485517 0.544662 0.050 Uiso 1 1 calc R U .
C5 C 0.53194(5) 0.50181(5) 0.7927(4) 0.0470(7) Uani 1 1 d . . .
H5 H 0.545102 0.516722 0.728672 0.056 Uiso 1 1 calc R U .
C6 C 0.51385(5) 0.47740(5) 1.0838(4) 0.0419(7) Uani 1 1 d . . .
H6 H 0.514619 0.474947 1.222229 0.050 Uiso 1 1 calc R U .
C7 C 0.53323(5) 0.49886(5) 0.9945(4) 0.0376(6) Uani 1 1 d . . .
C8 C 0.55434(5) 0.51902(6) 1.1200(4) 0.0491(8) Uani 1 1 d . . .
H8A H 0.552184 0.534338 1.127258 0.059 Uiso 1 1 calc R U .
H8B H 0.552819 0.512257 1.256237 0.059 Uiso 1 1 calc R U .
C9 C 0.59686(5) 0.55156(5) 1.0010(3) 0.0397(6) Uani 1 1 d . . .
H9 H 0.591519 0.563987 1.013929 0.048 Uiso 1 1 calc R U .
C10 C 0.58730(6) 0.50895(6) 1.0174(4) 0.0497(7) Uani 1 1 d . . .
H10 H 0.575172 0.491349 1.042136 0.060 Uiso 1 1 calc R U .
C11 C 0.62122(5) 0.55900(5) 0.9410(3) 0.0382(6) Uani 1 1 d . . .
H12 H 0.632838 0.576679 0.914087 0.046 Uiso 1 1 calc R U .
C12 C 0.61167(5) 0.51589(5) 0.9570(4) 0.0455(7) Uani 1 1 d . . .
H11 H 0.616495 0.503110 0.941389 0.055 Uiso 1 1 calc R U .
C13 C 0.62936(5) 0.54144(5) 0.9184(3) 0.0347(6) Uani 1 1 d . . .
C14 C 0.65595(5) 0.54944(5) 0.8575(3) 0.0380(6) Uani 1 1 d . . .
C15 C 0.67413(5) 0.57505(6) 0.8306(4) 0.0450(7) Uani 1 1 d . . .
H16 H 0.669631 0.587882 0.856721 0.054 Uiso 1 1 calc R U .
C16 C 0.66386(6) 0.53179(6) 0.8208(4) 0.0572(8) Uani 1 1 d . . .
H15 H 0.652149 0.513935 0.839381 0.069 Uiso 1 1 calc R U .
C17 C 0.69824(6) 0.58224(7) 0.7676(4) 0.0537(8) Uani 1 1 d . . .
H18 H 0.710420 0.600004 0.750367 0.064 Uiso 1 1 calc R U .
C18 C 0.68837(7) 0.53981(7) 0.7580(5) 0.0676(10) Uani 1 1 d . . .
H17 H 0.693590 0.527473 0.734143 0.081 Uiso 1 1 calc R U .
C19 C 0.73081(6) 0.57244(8) 0.6494(5) 0.0836(12) Uani 1 1 d . . .
H19A H 0.739587 0.590935 0.613816 0.100 Uiso 1 1 calc R U .
H19B H 0.728890 0.562519 0.527047 0.100 Uiso 1 1 calc R U .
C20 C 0.74719(6) 0.56800(7) 0.7950(5) 0.0587(9) Uani 1 1 d . . .
C21 C 0.76180(7) 0.55809(8) 0.7272(5) 0.0730(11) Uani 1 1 d . . .
H21 H 0.760371 0.552850 0.592706 0.088 Uiso 1 1 calc R U .
C22 C 0.74900(6) 0.57498(6) 0.9917(5) 0.0641(9) Uani 1 1 d . . .
H22 H 0.738493 0.581439 1.041374 0.077 Uiso 1 1 calc R U .
C23 C 0.77874(6) 0.55555(7) 0.8518(5) 0.0712(10) Uani 1 1 d . . .
H24 H 0.788835 0.548597 0.802610 0.085 Uiso 1 1 calc R U .
C24 C 0.76577(7) 0.57268(7) 1.1158(5) 0.0690(10) Uani 1 1 d . . .
H23 H 0.766974 0.577726 1.250668 0.083 Uiso 1 1 calc R U .
C25 C 0.78097(6) 0.56306(7) 1.0463(5) 0.0613(9) Uani 1 1 d . . .
C26 C 0.79987(9) 0.56044(10) 1.1811(7) 0.0950(14) Uani 1 1 d . . .
C27 C 0.39577(5) 0.42656(6) 0.5073(3) 0.0362(6) Uani 1 1 d . . .
C28 C 0.37480(5) 0.43222(5) 0.5604(3) 0.0294(6) Uani 1 1 d . . .
C29 C 0.37982(5) 0.45742(5) 0.5582(3) 0.0327(6) Uani 1 1 d . . .
H29 H 0.396425 0.470933 0.521254 0.039 Uiso 1 1 calc R U .
C30 C 0.36083(5) 0.46309(5) 0.6093(3) 0.0339(6) Uani 1 1 d . . .
C31 C 0.33661(5) 0.44326(5) 0.6606(3) 0.0318(6) Uani 1 1 d . . .
H31 H 0.323461 0.446995 0.695421 0.038 Uiso 1 1 calc R U .
C32 C 0.33147(5) 0.41816(5) 0.6616(3) 0.0288(5) Uani 1 1 d . . .
C33 C 0.35048(5) 0.41253(5) 0.6132(3) 0.0301(6) Uani 1 1 d . . .
H33 H 0.346922 0.395202 0.615980 0.036 Uiso 1 1 calc R U .
C34 C 0.30473(5) 0.39666(5) 0.7124(3) 0.0350(6) Uani 1 1 d . . .
H1WA H 0.4111(4) 0.3985(5) 0.036(4) 0.064(11) Uiso 1 1 d D . .
H1WB H 0.4331(5) 0.4136(5) -0.011(3) 0.048(9) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O1W Cd1 O6 101.54(8) . .
O1W Cd1 O1 102.59(7) . .
O6 Cd1 O1 129.57(7) . .
O1W Cd1 O9 88.62(7) . 9_554
O6 Cd1 O9 80.81(7) . 9_554
O1 Cd1 O9 142.88(7) . 9_554
O1W Cd1 O2 157.88(7) . .
O6 Cd1 O2 95.44(7) . .
O1 Cd1 O2 55.35(6) . .
O9 Cd1 O2 108.15(6) 9_554 .
O1W Cd1 O8 84.76(7) . 9_554
O6 Cd1 O8 134.45(7) . 9_554
O1 Cd1 O8 91.40(6) . 9_554
O9 Cd1 O8 54.05(6) 9_554 9_554
O2 Cd1 O8 93.43(6) . 9_554
O1W Cd1 O5 89.90(7) . .
O6 Cd1 O5 52.70(6) . .
O1 Cd1 O5 83.80(6) . .
O9 Cd1 O5 132.08(7) 9_554 .
O2 Cd1 O5 89.22(6) . .
O8 Cd1 O5 171.89(6) 9_554 .
O1W Cd1 C1 129.83(8) . .
O6 Cd1 C1 113.74(7) . .
O1 Cd1 C1 27.24(6) . .
O9 Cd1 C1 130.00(7) 9_554 .
O2 Cd1 C1 28.16(6) . .
O8 Cd1 C1 93.96(7) 9_554 .
O5 Cd1 C1 84.77(7) . .
O1W Cd1 C34 84.50(7) . 9_554
O6 Cd1 C34 107.96(8) . 9_554
O1 Cd1 C34 117.87(8) . 9_554
O9 Cd1 C34 27.18(7) 9_554 9_554
O2 Cd1 C34 103.71(7) . 9_554
O8 Cd1 C34 26.98(7) 9_554 9_554
O5 Cd1 C34 158.31(8) . 9_554
C1 Cd1 C34 114.77(8) . 9_554
C1 O1 Cd1 94.85(15) . .
Cd1 O1W H1WA 121(2) . .
Cd1 O1W H1WB 143(2) . .
H1WA O1W H1WB 96(3) . .
C1 O2 Cd1 88.70(13) . .
O3B O3A C26 67.6(5) . .
O3A O3B C26 56.6(4) . .
C27 O5 Cd1 86.50(18) . .
C27 O6 Cd1 99.17(16) . .
C30 O7 H7 109.5 . .
C34 O8 Cd1 88.24(17) . 5
C34 O9 Cd1 95.30(16) . 5
C9 N1 C10 120.8(2) . .
C9 N1 C8 120.2(2) . .
C10 N1 C8 119.0(2) . .
C17 N2 C18 120.4(3) . .
C17 N2 C19 120.5(3) . .
C18 N2 C19 119.1(3) . .
O1 C1 O2 120.9(2) . .
O1 C1 C2 120.1(2) . .
O2 C1 C2 119.0(2) . .
O1 C1 Cd1 57.91(12) . .
O2 C1 Cd1 63.14(13) . .
C2 C1 Cd1 175.98(18) . .
C4 C2 C3 119.0(2) . .
C4 C2 C1 120.1(2) . .
C3 C2 C1 120.9(2) . .
C2 C3 C6 120.2(3) . .
C2 C3 H3 119.9 . .
C6 C3 H3 119.9 . .
C2 C4 C5 120.8(2) . .
C2 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C4 C5 C7 120.5(3) . .
C4 C5 H5 119.7 . .
C7 C5 H5 119.7 . .
C7 C6 C3 120.8(2) . .
C7 C6 H6 119.6 . .
C3 C6 H6 119.6 . .
C6 C7 C5 118.6(2) . .
C6 C7 C8 119.1(2) . .
C5 C7 C8 122.2(3) . .
N1 C8 C7 112.7(2) . .
N1 C8 H8A 109.1 . .
C7 C8 H8A 109.1 . .
N1 C8 H8B 109.1 . .
C7 C8 H8B 109.1 . .
H8A C8 H8B 107.8 . .
N1 C9 C11 120.2(3) . .
N1 C9 H9 119.9 . .
C11 C9 H9 119.9 . .
N1 C10 C12 120.2(3) . .
N1 C10 H10 119.9 . .
C12 C10 H10 119.9 . .
C9 C11 C13 121.2(3) . .
C9 C11 H12 119.4 . .
C13 C11 H12 119.4 . .
C10 C12 C13 120.3(3) . .
C10 C12 H11 119.9 . .
C13 C12 H11 119.9 . .
C11 C13 C12 117.3(3) . .
C11 C13 C14 121.5(3) . .
C12 C13 C14 121.2(3) . .
C15 C14 C16 116.5(3) . .
C15 C14 C13 121.5(3) . .
C16 C14 C13 122.0(3) . .
C17 C15 C14 121.3(3) . .
C17 C15 H16 119.4 . .
C14 C15 H16 119.4 . .
C18 C16 C14 120.5(3) . .
C18 C16 H15 119.8 . .
C14 C16 H15 119.8 . .
N2 C17 C15 120.6(3) . .
N2 C17 H18 119.7 . .
C15 C17 H18 119.7 . .
N2 C18 C16 120.8(3) . .
N2 C18 H17 119.6 . .
C16 C18 H17 119.6 . .
N2 C19 C20 112.2(3) . .
N2 C19 H19A 109.2 . .
C20 C19 H19A 109.2 . .
N2 C19 H19B 109.2 . .
C20 C19 H19B 109.2 . .
H19A C19 H19B 107.9 . .
C21 C20 C22 119.1(3) . .
C21 C20 C19 118.6(3) . .
C22 C20 C19 122.3(3) . .
C20 C21 C23 120.8(3) . .
C20 C21 H21 119.6 . .
C23 C21 H21 119.6 . .
C24 C22 C20 120.6(3) . .
C24 C22 H22 119.7 . .
C20 C22 H22 119.7 . .
C25 C23 C21 120.1(3) . .
C25 C23 H24 119.9 . .
C21 C23 H24 119.9 . .
C22 C24 C25 120.4(3) . .
C22 C24 H23 119.8 . .
C25 C24 H23 119.8 . .
C23 C25 C24 119.0(3) . .
C23 C25 C26 119.6(3) . .
C24 C25 C26 121.4(3) . .
O4 C26 O3A 118.1(5) . .
O4 C26 O3B 122.1(5) . .
O3A C26 O3B 55.8(4) . .
O4 C26 C25 118.1(4) . .
O3A C26 C25 118.2(4) . .
O3B C26 C25 109.6(5) . .
O5 C27 O6 121.6(3) . .
O5 C27 C28 120.2(3) . .
O6 C27 C28 118.2(2) . .
C29 C28 C33 119.6(2) . .
C29 C28 C27 119.7(2) . .
C33 C28 C27 120.8(2) . .
C30 C29 C28 120.5(2) . .
C30 C29 H29 119.7 . .
C28 C29 H29 119.7 . .
O7 C30 C31 118.0(2) . .
O7 C30 C29 122.6(2) . .
C31 C30 C29 119.3(2) . .
C32 C31 C30 120.3(2) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
C31 C32 C33 120.4(2) . .
C31 C32 C34 119.7(2) . .
C33 C32 C34 119.9(2) . .
C32 C33 C28 119.8(2) . .
C32 C33 H33 120.1 . .
C28 C33 H33 120.1 . .
O8 C34 O9 121.9(3) . .
O8 C34 C32 119.2(3) . .
O9 C34 C32 118.9(2) . .
O8 C34 Cd1 64.78(15) . 5
O9 C34 Cd1 57.53(13) . 5
C32 C34 Cd1 171.67(17) . 5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1W 2.2852(19) .
Cd1 O6 2.2879(18) .
Cd1 O1 2.2951(17) .
Cd1 O9 2.3122(18) 9_554
Cd1 O2 2.4087(16) .
Cd1 O8 2.4701(19) 9_554
Cd1 O5 2.573(2) .
Cd1 C1 2.699(2) .
Cd1 C34 2.729(3) 9_554
O1 C1 1.240(3) .
O1W H1WA 0.841(17) .
O1W H1WB 0.784(16) .
O2 C1 1.274(3) .
O3A O3B 1.230(8) .
O3A C26 1.241(6) .
O3B C26 1.375(7) .
O4 C26 1.222(5) .
O5 C27 1.228(3) .
O6 C27 1.261(3) .
O7 C30 1.347(3) .
O7 H7 0.8400 .
O8 C34 1.239(3) .
O9 C34 1.252(3) .
N1 C9 1.331(3) .
N1 C10 1.341(3) .
N1 C8 1.486(3) .
N2 C17 1.329(4) .
N2 C18 1.329(4) .
N2 C19 1.477(4) .
C1 C2 1.494(3) .
C2 C4 1.370(3) .
C2 C3 1.373(3) .
C3 C6 1.382(3) .
C3 H3 0.9500 .
C4 C5 1.371(3) .
C4 H4 0.9500 .
C5 C7 1.380(3) .
C5 H5 0.9500 .
C6 C7 1.369(4) .
C6 H6 0.9500 .
C7 C8 1.499(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C11 1.358(4) .
C9 H9 0.9500 .
C10 C12 1.366(4) .
C10 H10 0.9500 .
C11 C13 1.372(4) .
C11 H12 0.9500 .
C12 C13 1.383(4) .
C12 H11 0.9500 .
C13 C14 1.474(4) .
C14 C15 1.379(4) .
C14 C16 1.381(4) .
C15 C17 1.353(4) .
C15 H16 0.9500 .
C16 C18 1.365(4) .
C16 H15 0.9500 .
C17 H18 0.9500 .
C18 H17 0.9500 .
C19 C20 1.504(4) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.360(4) .
C20 C22 1.379(4) .
C21 C23 1.383(4) .
C21 H21 0.9500 .
C22 C24 1.367(4) .
C22 H22 0.9500 .
C23 C25 1.372(4) .
C23 H24 0.9500 .
C24 C25 1.381(4) .
C24 H23 0.9500 .
C25 C26 1.521(5) .
C27 C28 1.500(3) .
C28 C29 1.385(3) .
C28 C33 1.387(3) .
C29 C30 1.384(3) .
C29 H29 0.9500 .
C30 C31 1.383(3) .
C31 C32 1.377(3) .
C31 H31 0.9500 .
C32 C33 1.379(3) .
C32 C34 1.511(3) .
C33 H33 0.9500 .
