#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305936.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_4305936
loop_
_publ_author_name
'Ming Xue'
'Shengqian Ma'
'Zhao Jin'
'Roxanna M. Schaffino'
'Guang-Shan Zhu'
'Emil B. Lobkovsky'
'Shi-Lun Qiu'
'Banglin Chen'
_publ_section_title
;
Robust Metal-Organic Framework Enforced by Triple-Framework
Interpenetration Exhibiting High H2 Storage Density
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6825
_journal_page_last               6828
_journal_paper_doi               10.1021/ic800854y
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C35 H27 N7 O9 Zn2'
_chemical_formula_sum            'C35 H27 N7 O9 Zn2'
_chemical_formula_weight         820.38
_chemical_melting_point          ?
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_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                107.26(3)
_cell_angle_beta                 107.06(3)
_cell_angle_gamma                90.65(3)
_cell_formula_units_Z            1
_cell_length_a                   7.9273(16)
_cell_length_b                   10.556(2)
_cell_length_c                   13.155(3)
_cell_measurement_temperature    293(2)
_cell_volume                     999.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SANIT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5170
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.258
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             418
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.293
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.151
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         4282
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          2.249
_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1116P)²+4.7380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1833
_refine_ls_wR_factor_ref         0.1952
_reflns_number_gt                3858
_reflns_number_total             4282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800854y-file001_1.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 '/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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        999.1(3)
_cod_database_code               4305936
loop_
_symmetry_equiv_pos_as_xyz
'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
Zn1 Zn 0.72617(12) 1.04537(9) 1.29817(8) 0.0286(4) Uani 1 1 d . . .
Zn2 Zn 0.38573(11) 0.87077(9) 1.17794(8) 0.0272(4) Uani 1 1 d . . .
O1 O 0.476(2) 0.9188(13) 1.0599(10) 0.039(3) Uani 1 1 d . . .
O2 O 0.740(2) 1.0499(15) 1.1474(11) 0.054(4) Uani 1 1 d . . .
O3 O 0.381(2) 0.8624(13) 0.3323(10) 0.042(3) Uani 1 1 d . . .
O4 O 0.627(2) 1.0060(18) 0.4159(12) 0.065(5) Uani 1 1 d . . .
O5 O 0.558(2) 0.7266(14) 1.1815(14) 0.055(4) Uani 1 1 d . . .
O6 O 0.8228(19) 0.8644(12) 1.2640(13) 0.044(3) Uani 1 1 d . . .
O7 O 1.299(2) 0.0539(14) 1.2067(12) 0.043(3) Uani 1 1 d . . .
O8 O 1.5502(19) 0.1824(12) 1.2953(11) 0.045(3) Uani 1 1 d . . .
C1 C 0.607(3) 0.983(2) 1.0564(16) 0.047(6) Uani 1 1 d . . .
C2 C 0.609(2) 0.994(2) 0.9532(12) 0.041(5) Uani 1 1 d . . .
C3 C 0.518(4) 0.912(2) 0.8567(18) 0.063(7) Uani 1 1 d . . .
H3 H 0.4498 0.8414 0.8594 0.076 Uiso 1 1 calc R . .
C4 C 0.508(4) 0.913(3) 0.7398(17) 0.073(8) Uani 1 1 d . . .
H4 H 0.4340 0.8482 0.6774 0.088 Uiso 1 1 calc R . .
C5 C 0.608(4) 1.011(3) 0.7255(18) 0.077(8) Uani 1 1 d . . .
C6 C 0.693(2) 1.0868(15) 0.8238(13) 0.067(5) Uani 1 1 d . . .
H6 H 0.7619 1.1585 0.8239 0.080 Uiso 1 1 calc R . .
C7 C 0.704(2) 1.0851(16) 0.9333(12) 0.064(4) Uani 1 1 d . . .
H7 H 0.7804 1.1506 0.9942 0.077 Uiso 1 1 calc R . .
C8 C 0.612(4) 1.009(3) 0.6250(18) 0.072(8) Uani 1 1 d . . .
H8 H 0.6933 1.0672 0.6181 0.086 Uiso 1 1 calc R . .
C9 C 0.498(4) 0.921(2) 0.5327(19) 0.065(7) Uani 1 1 d . . .
H9 H 0.4203 0.8596 0.5391 0.077 Uiso 1 1 calc R . .
C10 C 0.499(3) 0.9240(17) 0.4105(15) 0.034(5) Uani 1 1 d . . .
C11 C 0.721(3) 0.7506(16) 1.2205(15) 0.033(4) Uani 1 1 d . . .
C12 C 0.825(3) 0.6308(18) 1.2200(16) 0.043(5) Uani 1 1 d . . .
H12 H 0.7597 0.5479 1.1972 0.051 Uiso 1 1 calc R . .
C13 C 1.012(3) 0.634(2) 1.2511(19) 0.059(6) Uani 1 1 d . . .
H13 H 1.0819 0.7141 1.2712 0.071 Uiso 1 1 calc R . .
C14 C 1.091(3) 0.515(2) 1.2514(17) 0.062(7) Uani 1 1 d . . .
C15 C 0.998(3) 0.3868(19) 1.213(2) 0.059(6) Uani 1 1 d . . .
H15 H 0.8748 0.3727 1.1885 0.070 Uiso 1 1 calc R . .
C16 C 1.109(3) 0.278(2) 1.2150(18) 0.047(5) Uani 1 1 d . . .
H16 H 1.0494 0.1924 1.1817 0.057 Uiso 1 1 calc R . .
C17 C 1.285(3) 0.2859(18) 1.2587(19) 0.056(6) Uani 1 1 d . . .
C18 C 1.380(3) 0.168(2) 1.2528(15) 0.039(5) Uani 1 1 d . . .
C19 C 1.3697(19) 0.4116(14) 1.2873(14) 0.060(4) Uani 1 1 d . . .
H19 H 1.4930 0.4244 1.3098 0.073 Uiso 1 1 calc R . .
C20 C 1.272(2) 0.5208(14) 1.2828(14) 0.061(4) Uani 1 1 d . . .
H20 H 1.3351 0.6038 1.3028 0.074 Uiso 1 1 calc R . .
N1 N 0.1600(8) 0.7599(6) 1.0656(5) 0.044(4) Uani 1 1 d G . .
C21 C 0.1758(7) 0.6346(6) 0.9977(5) 0.054(4) Uani 1 1 d GU . .
H21 H 0.2872 0.6047 1.0037 0.065 Uiso 1 1 calc R . .
C22 C 0.0252(7) 0.5539(6) 0.9208(5) 0.055(4) Uani 1 1 d GU . .
H22 H 0.0357 0.4700 0.8753 0.067 Uiso 1 1 calc R . .
C23 C -0.1413(7) 0.5985(5) 0.9118(4) 0.062(5) Uani 1 1 d G . .
C24 C -0.1571(8) 0.7238(6) 0.9798(5) 0.074(7) Uani 1 1 d G . .
H24 H -0.2684 0.7536 0.9738 0.089 Uiso 1 1 calc R . .
C25 C -0.0064(8) 0.8045(6) 1.0566(5) 0.059(5) Uani 1 1 d G . .
H25 H -0.0170 0.8884 1.1021 0.071 Uiso 1 1 calc R . .
C26 C -0.3048(7) 0.5173(5) 0.8284(4) 0.044(3) Uani 1 1 d GU . .
N3 N -0.4673(7) 0.5688(6) 0.8185(5) 0.058(3) Uani 1 1 d GU . .
N4 N -0.6205(7) 0.4944(6) 0.7389(5) 0.091(5) Uani 1 1 d GU . .
C27 C -0.6111(7) 0.3684(5) 0.6693(4) 0.101(8) Uani 1 1 d G . .
N5 N -0.4486(7) 0.3169(5) 0.6793(5) 0.101(6) Uani 1 1 d GU . .
N6 N -0.2954(7) 0.3913(5) 0.7589(5) 0.066(3) Uani 1 1 d GU . .
C28 C -0.7490(7) 0.3126(5) 0.5793(4) 0.052(5) Uani 1 1 d G . .
C29 C -0.7325(7) 0.2026(6) 0.4943(5) 0.041(4) Uani 1 1 d G . .
H29 H -0.6206 0.1786 0.4927 0.049 Uiso 1 1 calc R . .
C30 C -0.8833(8) 0.1287(6) 0.4117(5) 0.037(4) Uani 1 1 d G . .
H30 H -0.8723 0.0551 0.3549 0.044 Uiso 1 1 calc R . .
N2 N -1.0506(7) 0.1646(6) 0.4141(5) 0.030(3) Uani 1 1 d G . .
C31 C -1.0670(7) 0.2745(7) 0.4991(6) 0.080(6) Uani 1 1 d GU . .
H31 H -1.1789 0.2986 0.5007 0.097 Uiso 1 1 calc R . .
C32 C -0.9162(7) 0.3485(6) 0.5817(5) 0.093(7) Uani 1 1 d GU . .
H32 H -0.9272 0.4220 0.6385 0.111 Uiso 1 1 calc R . .
N7 N 0.233(3) 0.200(2) 0.8937(19) 0.118(6) Uani 1 1 d DU . .
C35 C 0.366(4) 0.298(3) 0.956(3) 0.163(12) Uani 1 1 d DU . .
H35 H 0.3969 0.3329 1.0333 0.195 Uiso 1 1 calc R . .
C33 C 0.174(5) 0.118(4) 0.942(3) 0.177(13) Uani 1 1 d U . .
H33A H 0.0937 0.1620 0.9790 0.265 Uiso 1 1 calc R . .
H33B H 0.2735 0.0983 0.9949 0.265 Uiso 1 1 calc R . .
H33C H 0.1146 0.0372 0.8847 0.265 Uiso 1 1 calc R . .
O9 O 0.452(6) 0.341(2) 0.890(3) 0.236(14) Uani 1 1 d . . .
C34 C 0.184(6) 0.167(4) 0.776(3) 0.21(2) Uani 1 1 d . . .
H34A H 0.1243 0.2373 0.7536 0.318 Uiso 1 1 calc R . .
H34B H 0.1060 0.0854 0.7426 0.318 Uiso 1 1 calc R . .
H34C H 0.2882 0.1558 0.7529 0.318 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'
Zn Zn 0.2839 1.4301 '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
_geom_angle_publ_flag
O8 Zn1 O2 89.6(6) 1_465 . ?
O8 Zn1 O6 159.4(6) 1_465 . ?
O2 Zn1 O6 86.8(6) . . ?
O8 Zn1 N2 99.8(5) 1_465 1_766 ?
O2 Zn1 N2 104.7(6) . 1_766 ?
O6 Zn1 N2 100.7(5) . 1_766 ?
O8 Zn1 O4 84.5(7) 1_465 1_556 ?
O2 Zn1 O4 160.1(6) . 1_556 ?
O6 Zn1 O4 92.0(7) . 1_556 ?
N2 Zn1 O4 95.0(5) 1_766 1_556 ?
O8 Zn1 Zn2 78.9(4) 1_465 . ?
O2 Zn1 Zn2 88.4(5) . . ?
O6 Zn1 Zn2 80.7(4) . . ?
N2 Zn1 Zn2 166.8(3) 1_766 . ?
O4 Zn1 Zn2 71.8(5) 1_556 . ?
O7 Zn2 N1 99.6(5) 1_465 . ?
O7 Zn2 O5 159.3(6) 1_465 . ?
N1 Zn2 O5 100.8(5) . . ?
O7 Zn2 O3 91.6(5) 1_465 1_556 ?
N1 Zn2 O3 105.5(5) . 1_556 ?
O5 Zn2 O3 86.1(6) . 1_556 ?
O7 Zn2 O1 85.5(5) 1_465 . ?
N1 Zn2 O1 95.2(5) . . ?
O5 Zn2 O1 89.4(6) . . ?
O3 Zn2 O1 159.3(5) 1_556 . ?
O7 Zn2 Zn1 78.8(5) 1_465 . ?
N1 Zn2 Zn1 167.29(19) . . ?
O5 Zn2 Zn1 80.6(5) . . ?
O3 Zn2 Zn1 87.2(4) 1_556 . ?
O1 Zn2 Zn1 72.1(4) . . ?
C1 O1 Zn2 138.7(13) . . ?
C1 O2 Zn1 117.2(14) . . ?
C10 O3 Zn2 116.7(11) . 1_554 ?
C10 O4 Zn1 134.1(12) . 1_554 ?
C11 O5 Zn2 124.2(13) . . ?
C11 O6 Zn1 123.3(12) . . ?
C18 O7 Zn2 131.8(14) . 1_645 ?
C18 O8 Zn1 130.5(12) . 1_645 ?
O1 C1 O2 123.5(18) . . ?
O1 C1 C2 119.0(19) . . ?
O2 C1 C2 117(2) . . ?
C3 C2 C7 107.1(16) . . ?
C3 C2 C1 124(2) . . ?
C7 C2 C1 128.8(18) . . ?
C2 C3 C4 129(3) . . ?
C5 C4 C3 120.5(19) . . ?
C6 C5 C8 133(3) . . ?
C6 C5 C4 105.8(17) . . ?
C8 C5 C4 121(2) . . ?
C5 C6 C7 133.9(18) . . ?
C2 C7 C6 123.4(14) . . ?
C5 C8 C9 120(3) . . ?
C8 C9 C10 119(2) . . ?
O3 C10 O4 129.2(15) . . ?
O3 C10 C9 117.9(16) . . ?
O4 C10 C9 112.6(18) . . ?
O5 C11 O6 130.6(17) . . ?
O5 C11 C12 116.2(16) . . ?
O6 C11 C12 113.2(17) . . ?
C13 C12 C11 125.6(17) . . ?
C14 C13 C12 120(2) . . ?
C20 C14 C15 116.2(14) . . ?
C20 C14 C13 119(2) . . ?
C15 C14 C13 125.0(17) . . ?
C14 C15 C16 115.2(16) . . ?
C17 C16 C15 128(2) . . ?
C16 C17 C19 113.7(16) . . ?
C16 C17 C18 122(2) . . ?
C19 C17 C18 122.4(19) . . ?
O7 C18 O8 119.9(17) . . ?
O7 C18 C17 120.8(19) . . ?
O8 C18 C17 119.2(19) . . ?
C17 C19 C20 120.5(14) . . ?
C14 C20 C19 125.2(16) . . ?
C21 N1 C25 120.0 . . ?
C21 N1 Zn2 117.7(2) . . ?
C25 N1 Zn2 122.3(2) . . ?
C22 C21 N1 120.0 . . ?
C21 C22 C23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 C26 118.2 . . ?
C22 C23 C26 121.7 . . ?
C23 C24 C25 120.0 . . ?
C24 C25 N1 120.0 . . ?
N3 C26 N6 120.0 . . ?
N3 C26 C23 119.7 . . ?
N6 C26 C23 120.2 . . ?
C26 N3 N4 120.0 . . ?
N3 N4 C27 120.0 . . ?
C28 C27 N5 120.0 . . ?
C28 C27 N4 118.4 . . ?
N5 C27 N4 120.0 . . ?
C27 N5 N6 120.0 . . ?
N5 N6 C26 120.0 . . ?
C27 C28 C29 120.5 . . ?
C27 C28 C32 118.3 . . ?
C29 C28 C32 120.0 . . ?
C28 C29 C30 120.0 . . ?
N2 C30 C29 120.0 . . ?
C30 N2 C31 120.0 . . ?
C30 N2 Zn1 119.54(19) . 1_344 ?
C31 N2 Zn1 120.29(19) . 1_344 ?
C32 C31 N2 120.0 . . ?
C31 C32 C28 120.0 . . ?
C35 N7 C33 120(3) . . ?
C35 N7 C34 118(3) . . ?
C33 N7 C34 120(3) . . ?
N7 C35 O9 112(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O8 2.022(13) 1_465 ?
Zn1 O2 2.034(12) . ?
Zn1 O6 2.041(12) . ?
Zn1 N2 2.066(5) 1_766 ?
Zn1 O4 2.069(14) 1_556 ?
Zn1 Zn2 2.9722(18) . ?
Zn2 O7 2.024(14) 1_465 ?
Zn2 N1 2.032(5) . ?
Zn2 O5 2.060(13) . ?
Zn2 O3 2.068(12) 1_556 ?
Zn2 O1 2.073(11) . ?
O1 C1 1.25(3) . ?
O2 C1 1.34(3) . ?
O3 C10 1.17(2) . ?
O3 Zn2 2.068(12) 1_554 ?
O4 C10 1.30(2) . ?
O4 Zn1 2.069(14) 1_554 ?
O5 C11 1.23(3) . ?
O6 C11 1.31(2) . ?
O7 C18 1.24(3) . ?
O7 Zn2 2.024(14) 1_645 ?
O8 C18 1.29(2) . ?
O8 Zn1 2.022(13) 1_645 ?
C1 C2 1.40(2) . ?
C2 C3 1.30(3) . ?
C2 C7 1.34(2) . ?
C3 C4 1.52(3) . ?
C4 C5 1.38(2) . ?
C5 C6 1.27(3) . ?
C5 C8 1.32(3) . ?
C6 C7 1.423(19) . ?
C8 C9 1.35(4) . ?
C9 C10 1.62(2) . ?
C11 C12 1.51(3) . ?
C12 C13 1.41(3) . ?
C13 C14 1.41(3) . ?
C14 C20 1.36(2) . ?
C14 C15 1.41(2) . ?
C15 C16 1.45(2) . ?
C16 C17 1.34(3) . ?
C17 C19 1.37(2) . ?
C17 C18 1.46(3) . ?
C19 C20 1.40(2) . ?
N1 C21 1.3900 . ?
N1 C25 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C23 C26 1.4832 . ?
C24 C25 1.3900 . ?
C26 N3 1.3900 . ?
C26 N6 1.3900 . ?
N3 N4 1.3900 . ?
N4 C27 1.3900 . ?
C27 C28 1.3252 . ?
C27 N5 1.3900 . ?
N5 N6 1.3900 . ?
C28 C29 1.3900 . ?
C28 C32 1.3900 . ?
C29 C30 1.3900 . ?
C30 N2 1.3900 . ?
N2 C31 1.3900 . ?
N2 Zn1 2.066(5) 1_344 ?
C31 C32 1.3900 . ?
N7 C35 1.342(19) . ?
N7 C33 1.36(4) . ?
N7 C34 1.41(3) . ?
C35 O9 1.41(4) . ?
