#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:42:55 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179859 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/55/7015506.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_7015506
loop_
_publ_author_name
'Kritchenkov, Andreii S.'
'Bokach, Nadezhda A.'
'Haukka, Matti'
'Kukushkin, Vadim Yu'
_publ_section_title
;
 Unexpectedly efficient activation of push-pull nitriles by a Pt(II)
 center toward dipolar cycloaddition of Z-nitrones.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4175
_journal_page_last               4182
_journal_paper_doi               10.1039/c0dt01689f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C24 H34 Cl2 N6 O2 Pt'
_chemical_formula_sum            'C30 H42 Cl2 N6 O2 Pt'
_chemical_formula_weight         784.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.1540(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6768(2)
_cell_length_b                   12.1702(2)
_cell_length_c                   26.9509(3)
_cell_measurement_reflns_used    11953
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     3155.68(9)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2008)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Diamond v.3.2c (Brandenburg, 2009)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            44178
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    4.653
_exptl_absorpt_correction_T_max  0.7318
_exptl_absorpt_correction_T_min  0.5144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.361
_refine_diff_density_min         -1.167
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         9211
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0313
_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)+(0.0199P)²+2.3980P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0558
_refine_ls_wR_factor_ref         0.0611
_reflns_number_gt                7209
_reflns_number_total             9211
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01689f.txt
_cod_data_source_block           2c
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7015506
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.491388(11) 0.694010(9) 0.127929(4) 0.01391(4) Uani 1 1 d . . .
Cl1 Cl 0.32677(8) 0.82944(7) 0.13363(3) 0.02645(18) Uani 1 1 d . . .
Cl2 Cl 0.65351(8) 0.55542(6) 0.12494(3) 0.02045(16) Uani 1 1 d . . .
O1 O 0.7518(2) 0.93316(18) 0.19942(7) 0.0248(5) Uani 1 1 d . . .
O2 O 0.1494(2) 0.50214(18) 0.07011(7) 0.0190(5) Uani 1 1 d . . .
N1 N 0.6417(3) 0.8031(2) 0.15060(9) 0.0172(5) Uani 1 1 d . . .
N2 N 0.7720(3) 0.9653(2) 0.14791(9) 0.0255(6) Uani 1 1 d . . .
N3 N 0.6901(3) 0.7800(2) 0.23974(9) 0.0230(6) Uani 1 1 d . . .
N4 N 0.3373(2) 0.5878(2) 0.10743(8) 0.0156(5) Uani 1 1 d . . .
N5 N 0.1229(3) 0.5136(2) 0.12255(8) 0.0194(6) Uani 1 1 d . . .
N6 N 0.2942(3) 0.5779(2) 0.01838(8) 0.0195(6) Uani 1 1 d . . .
C1 C 0.6591(3) 0.9019(3) 0.11950(11) 0.0222(7) Uani 1 1 d . . .
H1 H 0.5717 0.9462 0.1178 0.027 Uiso 1 1 calc R . .
C2 C 0.6896(3) 0.8328(3) 0.19618(11) 0.0191(7) Uani 1 1 d . . .
C3 C 0.2657(3) 0.5342(3) 0.14691(10) 0.0181(6) Uani 1 1 d . . .
H3 H 0.2611 0.5867 0.1752 0.022 Uiso 1 1 calc R . .
C4 C 0.2678(3) 0.5613(2) 0.06506(10) 0.0159(6) Uani 1 1 d . . .
C5 C 0.6921(3) 0.8801(3) 0.06679(11) 0.0205(7) Uani 1 1 d . . .
C6 C 0.7549(3) 0.7852(3) 0.05230(12) 0.0227(7) Uani 1 1 d . . .
H6 H 0.7684 0.7251 0.0748 0.027 Uiso 1 1 calc R . .
C7 C 0.7984(3) 0.7774(3) 0.00494(13) 0.0261(8) Uani 1 1 d . . .
H7 H 0.8407 0.7115 -0.0048 0.031 Uiso 1 1 calc R . .
C8 C 0.7807(3) 0.8656(3) -0.02878(11) 0.0250(7) Uani 1 1 d . . .
C9 C 0.7121(3) 0.9577(3) -0.01428(11) 0.0257(7) Uani 1 1 d . . .
H9 H 0.6950 1.0171 -0.0370 0.031 Uiso 1 1 calc R . .
C10 C 0.6679(3) 0.9649(3) 0.03266(12) 0.0248(7) Uani 1 1 d . . .
H10 H 0.6202 1.0289 0.0417 0.030 Uiso 1 1 calc R . .
C11 C 0.8415(4) 0.8603(3) -0.07789(13) 0.0370(9) Uani 1 1 d . . .
H11A H 0.7918 0.9115 -0.1015 0.055 Uiso 1 1 calc R . .
H11B H 0.8321 0.7854 -0.0912 0.055 Uiso 1 1 calc R . .
H11C H 0.9401 0.8804 -0.0728 0.055 Uiso 1 1 calc R . .
C12 C 0.9140(3) 0.9277(3) 0.14210(13) 0.0316(8) Uani 1 1 d . . .
H12A H 0.9797 0.9627 0.1675 0.047 Uiso 1 1 calc R . .
H12B H 0.9378 0.9476 0.1088 0.047 Uiso 1 1 calc R . .
H12C H 0.9191 0.8477 0.1461 0.047 Uiso 1 1 calc R . .
C13 C 0.7256(4) 0.8384(3) 0.28758(11) 0.0282(8) Uani 1 1 d . . .
H13A H 0.7756 0.9074 0.2817 0.034 Uiso 1 1 calc R . .
H13B H 0.7871 0.7920 0.3106 0.034 Uiso 1 1 calc R . .
C14 C 0.5933(3) 0.8642(3) 0.31055(12) 0.0242(7) Uani 1 1 d . . .
H14A H 0.5361 0.9159 0.2887 0.029 Uiso 1 1 calc R . .
H14B H 0.6169 0.9004 0.3433 0.029 Uiso 1 1 calc R . .
C15 C 0.5097(4) 0.7605(3) 0.31768(11) 0.0259(7) Uani 1 1 d . . .
H15A H 0.4202 0.7803 0.3300 0.031 Uiso 1 1 calc R . .
H15B H 0.5617 0.7127 0.3429 0.031 Uiso 1 1 calc R . .
C16 C 0.4820(3) 0.6981(3) 0.26832(11) 0.0240(7) Uani 1 1 d . . .
H16A H 0.4354 0.6276 0.2741 0.029 Uiso 1 1 calc R . .
H16B H 0.4193 0.7419 0.2445 0.029 Uiso 1 1 calc R . .
C17 C 0.6164(4) 0.6761(3) 0.24624(12) 0.0238(7) Uani 1 1 d . . .
H17A H 0.6759 0.6268 0.2686 0.029 Uiso 1 1 calc R . .
H17B H 0.5963 0.6391 0.2135 0.029 Uiso 1 1 calc R . .
C18 C 0.3326(3) 0.4287(3) 0.16644(10) 0.0193(7) Uani 1 1 d . . .
C19 C 0.3269(3) 0.4002(3) 0.21629(11) 0.0231(7) Uani 1 1 d . . .
H19 H 0.2902 0.4509 0.2383 0.028 Uiso 1 1 calc R . .
C20 C 0.3742(3) 0.2985(3) 0.23411(12) 0.0277(8) Uani 1 1 d . . .
H20 H 0.3698 0.2806 0.2682 0.033 Uiso 1 1 calc R . .
C21 C 0.4279(3) 0.2226(3) 0.20299(13) 0.0274(8) Uani 1 1 d . . .
C22 C 0.4367(3) 0.2523(3) 0.15375(12) 0.0254(7) Uani 1 1 d . . .
H22 H 0.4759 0.2023 0.1321 0.031 Uiso 1 1 calc R . .
C23 C 0.3892(3) 0.3538(3) 0.13566(12) 0.0226(7) Uani 1 1 d . . .
H23 H 0.3956 0.3721 0.1017 0.027 Uiso 1 1 calc R . .
C24 C 0.4757(4) 0.1104(3) 0.22207(15) 0.0411(10) Uani 1 1 d . . .
H24A H 0.5655 0.1173 0.2424 0.062 Uiso 1 1 calc R . .
H24B H 0.4856 0.0617 0.1937 0.062 Uiso 1 1 calc R . .
H24C H 0.4070 0.0797 0.2424 0.062 Uiso 1 1 calc R . .
C25 C 0.0347(3) 0.6111(3) 0.12341(12) 0.0246(7) Uani 1 1 d . . .
H25A H 0.0821 0.6742 0.1103 0.037 Uiso 1 1 calc R . .
H25B H 0.0161 0.6262 0.1578 0.037 Uiso 1 1 calc R . .
H25C H -0.0533 0.5981 0.1027 0.037 Uiso 1 1 calc R . .
C26 C 0.1843(3) 0.5673(3) -0.02355(10) 0.0244(7) Uani 1 1 d . . .
H26A H 0.1011 0.5329 -0.0118 0.029 Uiso 1 1 calc R . .
H26B H 0.2170 0.5195 -0.0496 0.029 Uiso 1 1 calc R . .
C27 C 0.1470(3) 0.6800(3) -0.04527(12) 0.0285(8) Uani 1 1 d . . .
H27A H 0.1060 0.7253 -0.0201 0.034 Uiso 1 1 calc R . .
H27B H 0.0768 0.6721 -0.0746 0.034 Uiso 1 1 calc R . .
C28 C 0.2752(4) 0.7374(3) -0.06092(12) 0.0271(8) Uani 1 1 d . . .
H28A H 0.2502 0.8124 -0.0730 0.032 Uiso 1 1 calc R . .
H28B H 0.3106 0.6963 -0.0886 0.032 Uiso 1 1 calc R . .
C29 C 0.3885(3) 0.7441(3) -0.01689(12) 0.0223(7) Uani 1 1 d . . .
H29A H 0.4737 0.7765 -0.0282 0.027 Uiso 1 1 calc R . .
H29B H 0.3571 0.7925 0.0092 0.027 Uiso 1 1 calc R . .
C30 C 0.4212(3) 0.6305(3) 0.00477(11) 0.0181(6) Uani 1 1 d . . .
H30A H 0.4628 0.5847 -0.0201 0.022 Uiso 1 1 calc R . .
H30B H 0.4896 0.6369 0.0347 0.022 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
N4 Pt1 N1 177.74(9) . . ?
N4 Pt1 Cl1 88.90(7) . . ?
N1 Pt1 Cl1 89.44(7) . . ?
N4 Pt1 Cl2 90.41(7) . . ?
N1 Pt1 Cl2 91.19(7) . . ?
Cl1 Pt1 Cl2 177.81(3) . . ?
C2 O1 N2 106.2(2) . . ?
C4 O2 N5 106.2(2) . . ?
C2 N1 C1 104.8(2) . . ?
C2 N1 Pt1 129.3(2) . . ?
C1 N1 Pt1 118.93(19) . . ?
C12 N2 O1 103.7(2) . . ?
C12 N2 C1 115.3(3) . . ?
O1 N2 C1 100.6(2) . . ?
C2 N3 C17 124.1(3) . . ?
C2 N3 C13 120.8(3) . . ?
C17 N3 C13 112.3(2) . . ?
C4 N4 C3 106.5(2) . . ?
C4 N4 Pt1 134.4(2) . . ?
C3 N4 Pt1 118.47(18) . . ?
C25 N5 O2 104.7(2) . . ?
C25 N5 C3 111.8(2) . . ?
O2 N5 C3 101.0(2) . . ?
C4 N6 C30 123.8(2) . . ?
C4 N6 C26 121.2(2) . . ?
C30 N6 C26 113.7(2) . . ?
N2 C1 N1 104.6(2) . . ?
N2 C1 C5 111.0(2) . . ?
N1 C1 C5 115.9(3) . . ?
N2 C1 H1 108.4 . . ?
N1 C1 H1 108.4 . . ?
C5 C1 H1 108.4 . . ?
N1 C2 N3 130.9(3) . . ?
N1 C2 O1 114.5(3) . . ?
N3 C2 O1 114.5(3) . . ?
N4 C3 N5 104.0(2) . . ?
N4 C3 C18 114.1(2) . . ?
N5 C3 C18 110.8(2) . . ?
N4 C3 H3 109.3 . . ?
N5 C3 H3 109.3 . . ?
C18 C3 H3 109.3 . . ?
N4 C4 N6 131.3(3) . . ?
N4 C4 O2 113.7(2) . . ?
N6 C4 O2 115.0(2) . . ?
C6 C5 C10 118.9(3) . . ?
C6 C5 C1 123.8(3) . . ?
C10 C5 C1 117.1(3) . . ?
C5 C6 C7 120.2(3) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C6 C7 C8 120.9(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C7 117.8(3) . . ?
C9 C8 C11 121.9(3) . . ?
C7 C8 C11 120.3(3) . . ?
C8 C9 C10 121.1(3) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C9 C10 C5 120.9(3) . . ?
C9 C10 H10 119.6 . . ?
C5 C10 H10 119.6 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C14 109.1(3) . . ?
N3 C13 H13A 109.9 . . ?
C14 C13 H13A 109.9 . . ?
N3 C13 H13B 109.9 . . ?
C14 C13 H13B 109.9 . . ?
H13A C13 H13B 108.3 . . ?
C13 C14 C15 111.4(3) . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 110.3(3) . . ?
C14 C15 H15A 109.6 . . ?
C16 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
C16 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C15 110.7(3) . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
N3 C17 C16 110.1(3) . . ?
N3 C17 H17A 109.7 . . ?
C16 C17 H17A 109.7 . . ?
N3 C17 H17B 109.7 . . ?
C16 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
C23 C18 C19 118.2(3) . . ?
C23 C18 C3 122.3(3) . . ?
C19 C18 C3 119.2(3) . . ?
C20 C19 C18 120.7(3) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C19 121.1(3) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 118.1(3) . . ?
C20 C21 C24 121.1(3) . . ?
C22 C21 C24 120.8(3) . . ?
C21 C22 C23 121.1(3) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C18 C23 C22 120.9(3) . . ?
C18 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N5 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N6 C26 C27 109.8(3) . . ?
N6 C26 H26A 109.7 . . ?
C27 C26 H26A 109.7 . . ?
N6 C26 H26B 109.7 . . ?
C27 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
C26 C27 C28 110.7(3) . . ?
C26 C27 H27A 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C27 C28 C29 110.3(3) . . ?
C27 C28 H28A 109.6 . . ?
C29 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C30 C29 C28 110.6(3) . . ?
C30 C29 H29A 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
N6 C30 C29 110.4(2) . . ?
N6 C30 H30A 109.6 . . ?
C29 C30 H30A 109.6 . . ?
N6 C30 H30B 109.6 . . ?
C29 C30 H30B 109.6 . . ?
H30A C30 H30B 108.1 . . ?
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
Pt1 N4 2.006(2) . yes
Pt1 N1 2.016(2) . yes
Pt1 Cl1 2.3087(8) . yes
Pt1 Cl2 2.3108(7) . yes
O1 C2 1.361(4) . yes
O1 N2 1.475(3) . yes
O2 C4 1.372(3) . yes
O2 N5 1.470(3) . yes
N1 C2 1.316(4) . yes
N1 C1 1.485(4) . yes
N2 C12 1.473(4) . ?
N2 C1 1.482(4) . yes
N3 C2 1.338(4) . ?
N3 C17 1.471(4) . ?
N3 C13 1.481(4) . ?
N4 C4 1.302(4) . yes
N4 C3 1.482(4) . yes
N5 C25 1.464(4) . ?
N5 C3 1.486(4) . yes
N6 C4 1.326(3) . ?
N6 C30 1.467(4) . ?
N6 C26 1.472(4) . ?
C1 C5 1.512(4) . ?
C1 H1 1.0000 . ?
C3 C18 1.507(4) . ?
C3 H3 1.0000 . ?
C5 C6 1.380(4) . ?
C5 C10 1.386(4) . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.405(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.381(5) . ?
C8 C11 1.506(4) . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.514(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.522(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.530(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.511(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C23 1.385(4) . ?
C18 C19 1.395(4) . ?
C19 C20 1.387(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(5) . ?
C21 C24 1.514(5) . ?
C22 C23 1.388(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.520(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.523(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.529(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.521(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
