#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/76/1517605.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_1517605
loop_
_publ_author_name
'Shi-Yao Yang'
'Hong-Bo Yuan'
'Xiao-Bin Xu'
'Rong-Bin Huang'
_publ_section_title
;
 Influential factors on assembly of first-row transition metal
 coordination polymers
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              53
_journal_page_last               62
_journal_volume                  403
_journal_year                    2013
_chemical_formula_moiety         'C30 H26 N2 O10 Zn2'
_chemical_formula_sum            'C30 H26 N2 O10 Zn2'
_chemical_formula_weight         705.27
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 121.726(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1781(2)
_cell_length_b                   14.0979(3)
_cell_length_c                   16.0641(4)
_cell_measurement_reflns_used    3145
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      32.7013
_cell_measurement_theta_min      2.8394
_cell_volume                     1382.71(7)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.31.8
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8
;
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'CrysAlis CCD, Oxford Diffraction Ltd.'
_diffrn_measurement_method       'CrysAlis RED, Oxford Diffraction'
_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  0.0474
_diffrn_reflns_av_sigmaI/netI    0.1392
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11048
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         32.86
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.663
_refine_diff_density_min         -1.197
_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   0.20(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6641
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0500
_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)+(0.0843P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                3718
_reflns_number_total             6641
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-403-53-62-8.cif
_cod_data_source_block           '[Zn(1,4-ndc)(dmf)]n'
_cod_original_cell_volume        1382.71(6)
_cod_original_sg_symbol_Hall     'P -2yac'
_cod_original_sg_symbol_H-M      Pc
_cod_database_code               1517605
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, 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
Zn1 Zn 0.62382(9) 0.75590(5) 0.55249(4) 0.02248(17) Uani 1 1 d .
Zn2 Zn 1.25047(12) 0.73685(6) 0.66418(6) 0.0382(2) Uani 1 1 d .
O1 O 0.7253(8) 0.7969(3) 0.4648(3) 0.0268(10) Uani 1 1 d .
O2 O 1.0668(8) 0.8526(3) 0.5677(3) 0.0294(11) Uani 1 1 d .
O3 O 0.5529(9) 1.2136(3) 0.1817(4) 0.0343(11) Uani 1 1 d .
O4 O 0.7019(9) 1.1161(3) 0.1261(3) 0.0364(11) Uani 1 1 d .
O5 O 0.6640(8) 0.6157(3) 0.5945(4) 0.0378(12) Uani 1 1 d .
O6 O 0.9776(8) 0.6898(3) 0.6757(4) 0.0370(11) Uani 1 1 d .
O7 O 1.1697(8) 0.3442(3) 1.0348(3) 0.0297(11) Uani 1 1 d .
O8 O 1.3048(8) 0.2619(3) 0.9581(3) 0.0321(11) Uani 1 1 d .
O9 O 1.3231(8) 0.8178(3) 0.7909(3) 0.0347(11) Uani 1 1 d .
O10 O 1.4305(10) 0.6164(3) 0.7501(4) 0.0438(13) Uani 1 1 d .
C1 C 0.8258(10) 0.9325(4) 0.4175(4) 0.0222(13) Uani 1 1 d .
C2 C 0.6930(10) 0.9098(4) 0.3209(4) 0.0236(12) Uani 1 1 d .
H2A H 0.6383 0.8485 0.3035 0.028 Uiso 1 1 calc R
C3 C 0.6380(11) 0.9774(4) 0.2478(5) 0.0265(13) Uani 1 1 d .
H3A H 0.5511 0.9593 0.1826 0.032 Uiso 1 1 calc R
C4 C 0.7079(10) 1.0690(4) 0.2692(4) 0.0208(12) Uani 1 1 d .
C5 C 0.8389(10) 1.0980(4) 0.3693(5) 0.0228(13) Uani 1 1 d .
C6 C 0.9092(12) 1.1933(5) 0.3942(5) 0.0328(15) Uani 1 1 d .
H6A H 0.8725 1.2380 0.3453 0.039 Uiso 1 1 calc R
C7 C 1.0302(14) 1.2187(5) 0.4896(6) 0.043(2) Uani 1 1 d .
H7A H 1.0671 1.2821 0.5061 0.052 Uiso 1 1 calc R
C8 C 1.0999(13) 1.1513(5) 0.5633(6) 0.046(2) Uani 1 1 d .
H8A H 1.1893 1.1701 0.6281 0.055 Uiso 1 1 calc R
C9 C 1.0417(11) 1.0595(4) 0.5433(5) 0.0259(14) Uani 1 1 d .
H9A H 1.0915 1.0159 0.5941 0.031 Uiso 1 1 calc R
C10 C 0.9048(10) 1.0291(4) 0.4451(4) 0.0190(11) Uani 1 1 d .
C11 C 0.8795(10) 0.8539(4) 0.4890(4) 0.0214(12) Uani 1 1 d .
C12 C 0.6476(11) 1.1383(4) 0.1868(4) 0.0236(13) Uani 1 1 d .
C13 C 0.9510(10) 0.5398(4) 0.7375(4) 0.0200(12) Uani 1 1 d .
C14 C 1.0805(12) 0.5638(4) 0.8316(5) 0.0279(15) Uani 1 1 d .
H14A H 1.1223 0.6268 0.8479 0.033 Uiso 1 1 calc R
C15 C 1.1548(11) 0.4955(4) 0.9064(4) 0.0283(14) Uani 1 1 d .
H15A H 1.2395 0.5137 0.9717 0.034 Uiso 1 1 calc R
C16 C 1.1000(11) 0.3999(4) 0.8816(5) 0.0246(13) Uani 1 1 d .
C17 C 0.9753(10) 0.3730(4) 0.7842(4) 0.0234(13) Uani 1 1 d .
C18 C 0.9231(13) 0.2775(4) 0.7567(5) 0.0308(16) Uani 1 1 d .
H18A H 0.9730 0.2313 0.8051 0.037 Uiso 1 1 calc R
C19 C 0.8015(13) 0.2507(4) 0.6610(5) 0.0366(16) Uani 1 1 d .
H19A H 0.7769 0.1867 0.6448 0.044 Uiso 1 1 calc R
C20 C 0.7122(15) 0.3206(5) 0.5861(5) 0.048(2) Uani 1 1 d .
H20A H 0.6218 0.3028 0.5210 0.057 Uiso 1 1 calc R
C21 C 0.7602(14) 0.4147(5) 0.6106(5) 0.0395(18) Uani 1 1 d .
H21A H 0.7074 0.4601 0.5613 0.047 Uiso 1 1 calc R
C22 C 0.8902(11) 0.4439(4) 0.7108(4) 0.0239(14) Uani 1 1 d .
C23 C 0.8587(12) 0.6199(4) 0.6637(5) 0.0263(15) Uani 1 1 d .
C24 C 1.2017(10) 0.3309(4) 0.9679(4) 0.0244(13) Uani 1 1 d .
C25 C 1.2648(12) 0.8983(5) 0.7868(5) 0.0344(15) Uani 1 1 d .
H25A H 1.1753 0.9247 0.7250 0.041 Uiso 1 1 calc R
C26 C 1.4650(13) 0.9156(5) 0.9639(5) 0.0405(18) Uani 1 1 d .
H26A H 1.5118 0.8530 0.9596 0.061 Uiso 1 1 calc R
H26B H 1.3881 0.9131 0.9978 0.061 Uiso 1 1 calc R
H26C H 1.5906 0.9562 0.9988 0.061 Uiso 1 1 calc R
C27 C 1.2403(14) 1.0512(5) 0.8523(7) 0.0445(19) Uani 1 1 d .
H27A H 1.1889 1.0717 0.7867 0.067 Uiso 1 1 calc R
H27B H 1.3576 1.0917 0.8978 0.067 Uiso 1 1 calc R
H27C H 1.1225 1.0544 0.8642 0.067 Uiso 1 1 calc R
C28 C 1.3929(15) 0.5353(6) 0.7206(6) 0.054(2) Uani 1 1 d .
H28A H 1.3016 0.5264 0.6534 0.064 Uiso 1 1 calc R
C29 C 1.6181(16) 0.4664(8) 0.8790(6) 0.064(3) Uani 1 1 d .
H29A H 1.6462 0.5323 0.8965 0.096 Uiso 1 1 calc R
H29B H 1.7531 0.4349 0.8977 0.096 Uiso 1 1 calc R
H29C H 1.5539 0.4378 0.9124 0.096 Uiso 1 1 calc R
C30 C 1.422(2) 0.3653(6) 0.7374(8) 0.071(3) Uani 1 1 d .
H30A H 1.2694 0.3614 0.6871 0.107 Uiso 1 1 calc R
H30B H 1.4527 0.3212 0.7887 0.107 Uiso 1 1 calc R
H30C H 1.5094 0.3500 0.7103 0.107 Uiso 1 1 calc R
N1 N 1.3195(10) 0.9532(4) 0.8651(4) 0.0306(13) Uani 1 1 d .
N2 N 1.4707(10) 0.4580(4) 0.7757(4) 0.0360(14) Uani 1 1 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'
O O 0.0106 0.0060 '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'
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
O1 Zn1 O8 101.6(2) . 2_464
O1 Zn1 O5 118.20(19) . .
O8 Zn1 O5 92.02(19) 2_464 .
O1 Zn1 O4 93.50(18) . 2_575
O8 Zn1 O4 113.8(2) 2_464 2_575
O5 Zn1 O4 134.6(2) . 2_575
O1 Zn1 O3 151.51(16) . 2_575
O8 Zn1 O3 89.94(19) 2_464 2_575
O5 Zn1 O3 86.89(18) . 2_575
O4 Zn1 O3 58.05(17) 2_575 2_575
O1 Zn1 O6 94.19(18) . .
O8 Zn1 O6 149.38(17) 2_464 .
O5 Zn1 O6 57.35(18) . .
O4 Zn1 O6 90.93(19) 2_575 .
O3 Zn1 O6 88.33(17) 2_575 .
O1 Zn1 C12 122.94(18) . 2_575
O8 Zn1 C12 104.9(2) 2_464 2_575
O5 Zn1 C12 110.4(2) . 2_575
O4 Zn1 C12 29.46(19) 2_575 2_575
O3 Zn1 C12 28.70(17) 2_575 2_575
O6 Zn1 C12 87.66(18) . 2_575
O1 Zn1 C23 111.2(2) . .
O8 Zn1 C23 120.6(2) 2_464 .
O5 Zn1 C23 28.9(2) . .
O4 Zn1 C23 112.0(2) 2_575 .
O3 Zn1 C23 83.84(18) 2_575 .
O6 Zn1 C23 28.86(19) . .
C12 Zn1 C23 96.9(2) 2_575 .
O10 Zn2 O9 92.69(19) . .
O10 Zn2 O3 87.0(2) . 2_675
O9 Zn2 O3 88.75(18) . 2_675
O10 Zn2 O2 175.47(19) . .
O9 Zn2 O2 91.78(18) . .
O3 Zn2 O2 92.40(19) 2_675 .
O10 Zn2 O6 88.18(19) . .
O9 Zn2 O6 82.04(19) . .
O3 Zn2 O6 169.4(2) 2_675 .
O2 Zn2 O6 93.13(19) . .
O10 Zn2 O7 88.10(19) . 2_564
O9 Zn2 O7 178.8(2) . 2_564
O3 Zn2 O7 92.25(18) 2_675 2_564
O2 Zn2 O7 87.44(18) . 2_564
O6 Zn2 O7 97.03(19) . 2_564
C11 O1 Zn1 124.2(4) . .
C11 O2 Zn2 130.7(4) . .
C12 O3 Zn2 140.0(5) . 2_474
C12 O3 Zn1 81.6(4) . 2_574
Zn2 O3 Zn1 118.8(2) 2_474 2_574
C12 O4 Zn1 97.1(4) . 2_574
C23 O5 Zn1 98.4(4) . .
C23 O6 Zn2 143.4(4) . .
C23 O6 Zn1 80.8(4) . .
Zn2 O6 Zn1 114.6(2) . .
C24 O7 Zn2 133.0(4) . 2_565
C24 O8 Zn1 120.7(4) . 2_665
C25 O9 Zn2 123.2(5) . .
C28 O10 Zn2 124.1(6) . .
C2 C1 C10 119.6(5) . .
C2 C1 C11 116.3(5) . .
C10 C1 C11 124.1(5) . .
C1 C2 C3 121.0(6) . .
C1 C2 H2A 119.5 . .
C3 C2 H2A 119.5 . .
C4 C3 C2 122.0(6) . .
C4 C3 H3A 119.0 . .
C2 C3 H3A 119.0 . .
C3 C4 C5 119.5(5) . .
C3 C4 C12 119.6(5) . .
C5 C4 C12 120.9(5) . .
C6 C5 C10 119.6(5) . .
C6 C5 C4 121.0(5) . .
C10 C5 C4 119.3(5) . .
C7 C6 C5 119.5(6) . .
C7 C6 H6A 120.2 . .
C5 C6 H6A 120.2 . .
C6 C7 C8 120.8(6) . .
C6 C7 H7A 119.6 . .
C8 C7 H7A 119.6 . .
C9 C8 C7 121.8(7) . .
C9 C8 H8A 119.1 . .
C7 C8 H8A 119.1 . .
C8 C9 C10 120.2(6) . .
C8 C9 H9A 119.9 . .
C10 C9 H9A 119.9 . .
C9 C10 C5 117.9(5) . .
C9 C10 C1 123.7(5) . .
C5 C10 C1 118.4(5) . .
O1 C11 O2 126.8(5) . .
O1 C11 C1 114.1(5) . .
O2 C11 C1 119.0(5) . .
O3 C12 O4 122.8(6) . .
O3 C12 C4 120.4(6) . .
O4 C12 C4 116.8(5) . .
O3 C12 Zn1 69.7(4) . 2_574
O4 C12 Zn1 53.4(3) . 2_574
C4 C12 Zn1 167.7(5) . 2_574
C14 C13 C22 120.3(5) . .
C14 C13 C23 117.0(5) . .
C22 C13 C23 122.5(6) . .
C13 C14 C15 121.2(6) . .
C13 C14 H14A 119.4 . .
C15 C14 H14A 119.4 . .
C16 C15 C14 119.5(6) . .
C16 C15 H15A 120.2 . .
C14 C15 H15A 120.2 . .
C17 C16 C15 120.1(6) . .
C17 C16 C24 124.6(5) . .
C15 C16 C24 115.2(5) . .
C16 C17 C18 121.6(6) . .
C16 C17 C22 119.2(5) . .
C18 C17 C22 119.2(6) . .
C19 C18 C17 121.8(6) . .
C19 C18 H18A 119.1 . .
C17 C18 H18A 119.1 . .
C18 C19 C20 120.0(6) . .
C18 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C21 C20 C19 119.6(6) . .
C21 C20 H20A 120.2 . .
C19 C20 H20A 120.2 . .
C20 C21 C22 121.0(6) . .
C20 C21 H21A 119.5 . .
C22 C21 H21A 119.5 . .
C17 C22 C13 119.5(6) . .
C17 C22 C21 118.3(6) . .
C13 C22 C21 121.9(5) . .
O5 C23 O6 121.9(6) . .
O5 C23 C13 119.1(6) . .
O6 C23 C13 119.0(6) . .
O5 C23 Zn1 52.8(3) . .
O6 C23 Zn1 70.3(4) . .
C13 C23 Zn1 164.2(4) . .
O7 C24 O8 127.6(6) . .
O7 C24 C16 118.5(5) . .
O8 C24 C16 113.7(5) . .
O9 C25 N1 124.8(7) . .
O9 C25 H25A 117.6 . .
N1 C25 H25A 117.6 . .
N1 C26 H26A 109.5 . .
N1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N1 C27 H27A 109.5 . .
N1 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N1 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O10 C28 N2 125.7(8) . .
O10 C28 H28A 117.1 . .
N2 C28 H28A 117.1 . .
N2 C29 H29A 109.5 . .
N2 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N2 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N2 C30 H30A 109.5 . .
N2 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N2 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C25 N1 C26 119.6(6) . .
C25 N1 C27 120.7(6) . .
C26 N1 C27 119.7(6) . .
C28 N2 C30 123.3(7) . .
C28 N2 C29 120.1(7) . .
C30 N2 C29 116.6(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.982(4) .
Zn1 O8 1.989(5) 2_464
Zn1 O5 2.059(4) .
Zn1 O4 2.067(4) 2_575
Zn1 O3 2.421(5) 2_575
Zn1 O6 2.439(5) .
Zn1 C12 2.554(6) 2_575
Zn1 C23 2.558(6) .
Zn2 O10 2.141(5) .
Zn2 O9 2.146(4) .
Zn2 O3 2.153(5) 2_675
Zn2 O2 2.157(4) .
Zn2 O6 2.166(5) .
Zn2 O7 2.166(4) 2_564
O1 C11 1.252(7) .
O2 C11 1.272(8) .
O3 C12 1.240(8) .
O3 Zn2 2.153(5) 2_474
O3 Zn1 2.421(5) 2_574
O4 C12 1.266(8) .
O4 Zn1 2.067(4) 2_574
O5 C23 1.248(9) .
O6 C23 1.250(8) .
O7 C24 1.225(7) .
O7 Zn2 2.166(4) 2_565
O8 C24 1.281(7) .
O8 Zn1 1.989(5) 2_665
O9 C25 1.199(8) .
O10 C28 1.213(10) .
C1 C2 1.365(8) .
C1 C10 1.452(8) .
C1 C11 1.494(8) .
C2 C3 1.399(8) .
C2 H2A 0.9300 .
C3 C4 1.361(8) .
C3 H3A 0.9300 .
C4 C5 1.431(9) .
C4 C12 1.514(8) .
C5 C6 1.416(9) .
C5 C10 1.430(8) .
C6 C7 1.354(10) .
C6 H6A 0.9300 .
C7 C8 1.389(11) .
C7 H7A 0.9300 .
C8 C9 1.346(9) .
C8 H8A 0.9300 .
C9 C10 1.417(8) .
C9 H9A 0.9300 .
C12 Zn1 2.554(6) 2_574
C13 C14 1.336(9) .
C13 C22 1.417(8) .
C13 C23 1.514(8) .
C14 C15 1.408(9) .
C14 H14A 0.9300 .
C15 C16 1.403(8) .
C15 H15A 0.9300 .
C16 C17 1.386(9) .
C16 C24 1.528(9) .
C17 C18 1.405(8) .
C17 C22 1.416(8) .
C18 C19 1.362(9) .
C18 H18A 0.9300 .
C19 C20 1.420(9) .
C19 H19A 0.9300 .
C20 C21 1.376(9) .
C20 H20A 0.9300 .
C21 C22 1.433(9) .
C21 H21A 0.9300 .
C25 N1 1.348(9) .
C25 H25A 0.9300 .
C26 N1 1.465(10) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 N1 1.467(8) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 N2 1.328(9) .
C28 H28A 0.9300 .
C29 N2 1.429(10) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 N2 1.408(10) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
