#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:11:53 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179618 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/82/4508239.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_4508239
loop_
_publ_author_name
'Chen, Da-Shu'
'Sun, Li-Bo'
'Liang, Zhi-Qiang'
'Shao, Kui-Zhan'
'Wang, Chun-Gang'
'Su, Zhong-Min'
'Xing, Hong-Zhu'
_publ_section_title
;
 Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent
 Coordination Polymers Based on Flexible Tetracarboxylate Ligand
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4092
_journal_paper_doi               10.1021/cg400913f
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C62 H84 Cd2 N7 O18'
_chemical_formula_weight         1440.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.692(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2101(11)
_cell_length_b                   21.649(2)
_cell_length_c                   15.8443(14)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      2.13
_cell_volume                     3276.3(6)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '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  0.0846
_diffrn_reflns_av_sigmaI/netI    0.1034
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16424
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.722
_exptl_absorpt_correction_T_max  0.9395
_exptl_absorpt_correction_T_min  0.8839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            laurel-green
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             1394
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.675
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         5570
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1460
_refine_ls_R_factor_gt           0.0792
_refine_ls_shift/su_max          1.321
_refine_ls_shift/su_mean         0.141
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1777P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2273
_refine_ls_wR_factor_ref         0.2880
_reflns_number_gt                3171
_reflns_number_total             5570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400913f_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3276.3(5)
_cod_original_sg_symbol_H-M      'p 21/c'
_cod_database_code               4508239
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.11600(8) -0.35592(3) 0.40503(5) 0.0349(3) Uani 1 1 d .
N1 N -0.3827(9) -0.1111(5) 0.4134(5) 0.043(2) Uani 1 1 d .
O2 O 0.2400(11) -0.3422(4) 0.5960(6) 0.075(3) Uani 1 1 d .
O3 O -0.0278(9) -0.2725(4) 0.4041(6) 0.060(2) Uani 1 1 d .
O4 O -0.1143(10) -0.3609(4) 0.4289(7) 0.063(3) Uani 1 1 d .
O5 O -0.0127(10) -0.3591(4) 0.2374(6) 0.061(2) Uani 1 1 d .
O6 O 0.0773(9) -0.4436(4) 0.3124(5) 0.061(2) Uani 1 1 d .
O7 O 0.1807(9) -0.4275(4) 0.5135(5) 0.056(2) Uani 1 1 d .
O8 O 0.2729(12) -0.2830(5) 0.3973(12) 0.151(7) Uani 1 1 d .
O9 O 0.1224(15) 0.4359(6) 0.4305(11) 0.145(6) Uani 1 1 d .
O1 O -0.6257(15) -0.3646(6) 0.4013(15) 0.173(9) Uani 1 1 d .
C1 C -0.3743(7) -0.3052(3) 0.4097(5) 0.042(3) Uani 1 1 d G
H1A H -0.3721 -0.3481 0.4092 0.050 Uiso 1 1 calc R
C2 C -0.4962(7) -0.2746(3) 0.4045(5) 0.042(3) Uani 1 1 d G
C3 C -0.4994(7) -0.2105(3) 0.4053(4) 0.040(3) Uani 1 1 d G
H3A H -0.5811 -0.1900 0.4019 0.048 Uiso 1 1 calc R
C4 C -0.3805(7) -0.1770(3) 0.4113(4) 0.038(2) Uani 1 1 d G
C5 C -0.2586(7) -0.2077(3) 0.4164(4) 0.034(2) Uani 1 1 d G
H5A H -0.1789 -0.1852 0.4204 0.041 Uiso 1 1 calc R
C6 C -0.2555(7) -0.2716(3) 0.4156(5) 0.039(3) Uani 1 1 d G
C7 C -0.1257(12) -0.3047(6) 0.4165(7) 0.042(3) Uani 1 1 d .
C8 C -0.1861(7) -0.0409(3) 0.4964(4) 0.033(2) Uani 1 1 d G
C9 C -0.1265(8) -0.0754(3) 0.5746(4) 0.044(3) Uani 1 1 d G
H9A H -0.1370 -0.1181 0.5730 0.053 Uiso 1 1 calc R
C10 C -0.0513(9) -0.0461(3) 0.6550(4) 0.055(3) Uani 1 1 d G
C11 C -0.0356(9) 0.0176(4) 0.6574(5) 0.069(4) Uani 1 1 d G
H11A H 0.0148 0.0373 0.7113 0.083 Uiso 1 1 calc R
C12 C -0.0952(9) 0.0520(3) 0.5792(5) 0.056(3) Uani 1 1 d G
H12A H -0.0846 0.0947 0.5808 0.067 Uiso 1 1 calc R
C13 C -0.1704(8) 0.0227(3) 0.4988(4) 0.051(3) Uani 1 1 d G
H13A H -0.2104 0.0458 0.4465 0.061 Uiso 1 1 calc R
C14 C -0.4995(11) -0.0754(5) 0.4197(7) 0.040(3) Uani 1 1 d .
H14A H -0.4636 -0.0422 0.4628 0.048 Uiso 1 1 calc R
H14B H -0.5568 -0.1018 0.4421 0.048 Uiso 1 1 calc R
C15 C -0.5906(8) -0.0480(3) 0.3287(4) 0.039(3) Uani 1 1 d G
C16 C -0.6229(8) 0.0140(3) 0.3227(4) 0.048(3) Uani 1 1 d G
H16A H -0.5895 0.0389 0.3737 0.058 Uiso 1 1 calc R
C17 C -0.7047(9) 0.0392(3) 0.2412(5) 0.066(4) Uani 1 1 d G
H17A H -0.7266 0.0811 0.2372 0.079 Uiso 1 1 calc R
C18 C -0.7542(8) 0.0023(3) 0.1655(4) 0.049(3) Uani 1 1 d G
H18A H -0.8093 0.0193 0.1105 0.058 Uiso 1 1 calc R
C19 C -0.7220(7) -0.0598(3) 0.1714(4) 0.038(3) Uani 1 1 d G
C20 C -0.6401(7) -0.0849(3) 0.2530(4) 0.039(3) Uani 1 1 d G
H20A H -0.6184 -0.1268 0.2571 0.046 Uiso 1 1 calc R
C21 C 0.2292(14) -0.4001(7) 0.5881(7) 0.054(3) Uani 1 1 d .
C22 C -0.2718(11) -0.0710(5) 0.4092(6) 0.037(3) Uani 1 1 d .
H22A H -0.3129 -0.0388 0.3651 0.045 Uiso 1 1 calc R
H22B H -0.2096 -0.0949 0.3875 0.045 Uiso 1 1 calc R
C23 C 0.0073(12) -0.4160(7) 0.2420(8) 0.048(3) Uani 1 1 d .
C24 C -0.6258(14) -0.3102(7) 0.4007(10) 0.061(4) Uani 1 1 d .
C26 C -0.321(3) 0.1970(16) 0.371(2) 0.236(17) Uani 1 1 d DU
C25 C -0.169(3) 0.1993(9) 0.3850(17) 0.157(10) Uani 1 1 d DU
N3 N 0.423(4) 0.5011(13) 0.480(3) 0.126(17) Uani 0.50 1 d PD
C28 C 0.426(4) 0.4963(12) 0.392(2) 0.273(19) Uani 1 1 d DU
N4 N -0.137(2) 0.2513(9) 0.3233(13) 0.176(11) Uani 1 1 d D
C27 C 0.385(4) 0.4364(17) 0.353(3) 0.34(2) Uani 1 1 d DU
C32 C -0.012(4) 0.3179(12) 0.2601(19) 0.084(7) Uani 0.50 1 d PDU
C32' C 0.115(3) 0.2620(12) 0.2923(19) 0.084(7) Uani 0.50 1 d PDU
C31 C 0.006(3) 0.2764(13) 0.3314(18) 0.117(16) Uani 0.50 1 d PDU
C29 C -0.623(5) 0.3074(16) 0.332(4) 0.43(3) Uani 1 1 d DU
C30 C -0.548(3) 0.2492(16) 0.331(2) 0.30(2) Uani 1 1 d DU
N2 N -0.641(4) 0.1990(16) 0.335(2) 0.35(2) Uani 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'
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
O7 Cd1 O8 119.9(4) . .
O7 Cd1 O3 123.9(3) . .
O8 Cd1 O3 85.2(4) . .
O7 Cd1 O6 81.9(3) . .
O8 Cd1 O6 119.5(5) . .
O3 Cd1 O6 131.2(3) . .
O7 Cd1 O4 83.8(3) . .
O8 Cd1 O4 138.6(4) . .
O3 Cd1 O4 53.9(3) . .
O6 Cd1 O4 95.7(3) . .
O7 Cd1 O5 134.1(3) . .
O8 Cd1 O5 94.4(5) . .
O3 Cd1 O5 85.5(3) . .
O6 Cd1 O5 53.6(3) . .
O4 Cd1 O5 89.5(3) . .
O7 Cd1 O1 86.7(5) . 1_655
O8 Cd1 O1 47.9(4) . 1_655
O3 Cd1 O1 133.1(4) . 1_655
O6 Cd1 O1 83.0(4) . 1_655
O4 Cd1 O1 170.5(5) . 1_655
O5 Cd1 O1 97.3(5) . 1_655
O7 Cd1 C23 107.8(4) . .
O8 Cd1 C23 109.5(5) . .
O3 Cd1 C23 108.5(4) . .
O6 Cd1 C23 26.8(3) . .
O4 Cd1 C23 91.9(3) . .
O5 Cd1 C23 26.9(3) . .
O1 Cd1 C23 91.1(5) 1_655 .
O7 Cd1 C7 104.8(3) . .
O8 Cd1 C7 112.7(4) . .
O3 Cd1 C7 27.6(3) . .
O6 Cd1 C7 114.1(3) . .
O4 Cd1 C7 26.4(3) . .
O5 Cd1 C7 86.3(3) . .
O1 Cd1 C7 160.3(4) 1_655 .
C23 Cd1 C7 100.2(3) . .
O7 Cd1 C24 103.7(4) . 1_655
O8 Cd1 C24 23.4(4) . 1_655
O3 Cd1 C24 108.6(4) . 1_655
O6 Cd1 C24 102.7(4) . 1_655
O4 Cd1 C24 160.9(4) . 1_655
O5 Cd1 C24 97.3(4) . 1_655
O1 Cd1 C24 24.5(3) 1_655 1_655
C23 Cd1 C24 102.3(4) . 1_655
C7 Cd1 C24 135.9(4) . 1_655
O7 Cd1 O2 49.9(3) . .
O8 Cd1 O2 85.9(5) . .
O3 Cd1 O2 88.2(3) . .
O6 Cd1 O2 131.4(3) . .
O4 Cd1 O2 86.1(3) . .
O5 Cd1 O2 173.6(3) . .
O1 Cd1 O2 87.6(5) 1_655 .
C23 Cd1 O2 157.7(4) . .
C7 Cd1 O2 87.7(3) . .
C24 Cd1 O2 85.5(4) 1_655 .
O7 Cd1 C21 24.5(4) . .
O8 Cd1 C21 104.1(5) . .
O3 Cd1 C21 107.0(3) . .
O6 Cd1 C21 106.3(4) . .
O4 Cd1 C21 84.1(4) . .
O5 Cd1 C21 158.3(4) . .
O1 Cd1 C21 87.2(6) 1_655 .
C23 Cd1 C21 132.3(4) . .
C7 Cd1 C21 96.7(3) . .
C24 Cd1 C21 95.4(4) 1_655 .
O2 Cd1 C21 25.4(3) . .
C4 N1 C22 125.4(9) . .
C4 N1 C14 123.5(9) . .
C22 N1 C14 111.0(9) . .
C21 O2 Cd1 78.5(7) . .
C7 O3 Cd1 95.8(7) . .
C7 O4 Cd1 88.5(7) . .
C23 O5 Cd1 87.2(8) . .
C23 O6 Cd1 95.1(8) . .
C21 O7 Cd1 107.9(8) . .
C24 O8 Cd1 106.0(10) 1_655 .
C24 O1 Cd1 86.1(10) . 1_455
C2 C1 C6 119.9 . .
C2 C1 H1A 120.0 . .
C6 C1 H1A 120.0 . .
C1 C2 C3 120.0 . .
C1 C2 C24 120.9(7) . .
C3 C2 C24 119.1(7) . .
C4 C3 C2 120.0 . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 N1 120.2(6) . .
C5 C4 N1 119.8(6) . .
C6 C5 C4 120.0 . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C5 C6 C1 120.1 . .
C5 C6 C7 120.0(7) . .
C1 C6 C7 119.9(7) . .
O4 C7 O3 121.6(11) . .
O4 C7 C6 120.4(10) . .
O3 C7 C6 118.0(10) . .
O4 C7 Cd1 65.1(6) . .
O3 C7 Cd1 56.6(6) . .
C6 C7 Cd1 173.7(8) . .
C13 C8 C9 120.0 . .
C13 C8 C22 118.7(6) . .
C9 C8 C22 121.3(6) . .
C10 C9 C8 120.0 . .
C10 C9 H9A 120.0 . .
C8 C9 H9A 120.0 . .
C9 C10 C11 120.0 . .
C9 C10 C23 119.7(7) . 4_556
C11 C10 C23 120.2(7) . 4_556
C12 C11 C10 119.9 . .
C12 C11 H11A 120.0 . .
C10 C11 H11A 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12A 120.0 . .
C11 C12 H12A 120.0 . .
C8 C13 C12 120.0 . .
C8 C13 H13A 120.0 . .
C12 C13 H13A 120.0 . .
N1 C14 C15 112.3(7) . .
N1 C14 H14A 109.1 . .
C15 C14 H14A 109.0 . .
N1 C14 H14B 109.3 . .
C15 C14 H14B 109.2 . .
H14A C14 H14B 107.8 . .
C20 C15 C16 120.0 . .
C20 C15 C14 120.6(6) . .
C16 C15 C14 119.5(6) . .
C17 C16 C15 120.0 . .
C17 C16 H16A 120.0 . .
C15 C16 H16A 120.0 . .
C16 C17 C18 120.0 . .
C16 C17 H17A 120.0 . .
C18 C17 H17A 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C20 C19 C18 119.9 . .
C20 C19 C21 119.8(7) . 4_455
C18 C19 C21 120.2(7) . 4_455
C15 C20 C19 120.1 . .
C15 C20 H20A 120.0 . .
C19 C20 H20A 120.0 . .
O2 C21 O7 123.7(11) . .
O2 C21 C19 120(2) . 4_656
O7 C21 C19 117(2) . 4_656
O2 C21 Cd1 76.1(7) . .
O7 C21 Cd1 47.6(6) . .
C19 C21 Cd1 164(2) 4_656 .
N1 C22 C8 115.4(8) . .
N1 C22 H22A 108.5 . .
C8 C22 H22A 108.4 . .
N1 C22 H22B 108.3 . .
C8 C22 H22B 108.4 . .
H22A C22 H22B 107.5 . .
O6 C23 O5 123.9(12) . .
O6 C23 C10 118(2) . 4
O5 C23 C10 118(2) . 4
O6 C23 Cd1 58.1(6) . .
O5 C23 Cd1 65.9(7) . .
C10 C23 Cd1 175.9(18) 4 .
O8 C24 O1 119.9(15) 1_455 .
O8 C24 C2 119.4(13) 1_455 .
O1 C24 C2 120.7(13) . .
O8 C24 Cd1 50.6(8) 1_455 1_455
O1 C24 Cd1 69.4(9) . 1_455
C2 C24 Cd1 169.3(9) . 1_455
C26 C25 N4 111.3(19) . .
C28 N3 N3 92(2) . 3_666
N3 C28 C27 113(3) . .
C31 N4 C25 127(2) . .
C32 C31 C32' 73(2) . .
C32 C31 N4 108(2) . .
C32' C31 N4 137(2) . .
N2 C30 C29 106.9(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O7 2.234(8) .
Cd1 O8 2.283(10) .
Cd1 O3 2.324(8) .
Cd1 O6 2.347(9) .
Cd1 O4 2.512(9) .
Cd1 O5 2.514(9) .
Cd1 O1 2.665(13) 1_655
Cd1 C23 2.752(12) .
Cd1 C7 2.769(11) .
Cd1 C24 2.839(14) 1_655
Cd1 O2 2.853(9) .
Cd1 C21 2.880(11) .
N1 C4 1.428(12) .
N1 C22 1.447(13) .
N1 C14 1.454(13) .
O2 C21 1.261(15) .
O3 C7 1.289(13) .
O4 C7 1.231(13) .
O5 C23 1.247(15) .
O6 C23 1.244(14) .
O7 C21 1.257(14) .
O8 C24 1.173(16) 1_655
O1 C24 1.180(16) .
O1 Cd1 2.665(13) 1_455
C1 C2 1.386(4) .
C1 C6 1.388(4) .
C1 H1A 0.9300 .
C2 C3 1.388(4) .
C2 C24 1.514(15) .
C3 C4 1.387(4) .
C3 H3A 0.9300 .
C4 C5 1.387(4) .
C5 C6 1.386(4) .
C5 H5A 0.9300 .
C6 C7 1.502(12) .
C8 C13 1.387(5) .
C8 C9 1.389(5) .
C8 C22 1.498(11) .
C9 C10 1.387(5) .
C9 H9A 0.9304 .
C10 C11 1.388(5) .
C10 C23 1.532(14) 4_556
C11 C12 1.388(5) .
C11 H11A 0.9304 .
C12 C13 1.387(5) .
C12 H12A 0.9304 .
C13 H13A 0.9304 .
C14 C15 1.533(11) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C20 1.379(4) .
C15 C16 1.379(4) .
C16 C17 1.379(4) .
C16 H16A 0.9296 .
C17 C18 1.379(4) .
C17 H17A 0.9296 .
C18 C19 1.379(4) .
C18 H18A 0.9296 .
C19 C20 1.379(4) .
C19 C21 1.510(13) 4_455
C20 H20A 0.9296 .
C21 C19 1.51(5) 4_656
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C10 1.53(5) 4
C24 O8 1.173(16) 1_455
C24 Cd1 2.839(14) 1_455
C26 C25 1.491(18) .
C25 N4 1.600(17) .
N3 C28 1.41(2) .
N3 N3 1.48(8) 3_666
C28 C27 1.44(2) .
N4 C31 1.516(18) .
C32 C31 1.404(19) .
C32' C31 1.485(19) .
C29 C30 1.475(15) .
C30 N2 1.457(14) .
