#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:25:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179245 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/65/4316515.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_4316515
loop_
_publ_author_name
'Mehdi Rashidi'
'S. Masoud Nabavizadeh'
'Ahad Zare'
'Sirous Jamali'
'Richard J. Puddephatt'
_publ_contact_author_address     'University of Western Ontario'
_publ_contact_author_email       pudd@uwo.ca
_publ_contact_author_fax         519-661-3022
_publ_contact_author_name        Puddephatt
_publ_contact_author_phone       519-661-2111
_publ_section_title
;
 Associative and Dissociative Mechanisms in the Formation of Phthalazine
 Bridged Organodiplatinum(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8435
_journal_page_last               8443
_journal_paper_doi               10.1021/ic1010067
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C37 H40 N2 P2 Pt2'
_chemical_formula_sum            'C37 H40 N2 P2 Pt2'
_chemical_formula_weight         964.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2916(5)
_cell_length_b                   16.2609(8)
_cell_length_c                   18.6217(9)
_cell_measurement_reflns_used    9923
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.20
_cell_volume                     3419.2(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36600
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    8.296
_exptl_absorpt_correction_T_max  0.8857
_exptl_absorpt_correction_T_min  0.5223
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       square
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.011(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         6931
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0365
_refine_ls_wR_factor_ref         0.0378
_reflns_number_gt                6358
_reflns_number_total             6931
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1010067_si_001_2.cif
_cod_data_source_block           complex_2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316515
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.922578(16) 0.470628(11) 0.729421(9) 0.01708(5) Uani 1 1 d . . .
Pt2 Pt 0.845757(15) 0.536496(11) 0.897281(9) 0.01581(4) Uani 1 1 d . . .
P1 P 1.02681(11) 0.59690(7) 0.89668(7) 0.0173(3) Uani 1 1 d . . .
P2 P 1.06652(12) 0.56988(7) 0.73131(7) 0.0175(3) Uani 1 1 d . . .
N1 N 0.7898(4) 0.5627(2) 0.7412(2) 0.0178(9) Uani 1 1 d . . .
N2 N 0.7875(3) 0.6034(2) 0.80650(19) 0.0160(9) Uani 1 1 d . . .
C1 C 0.7868(4) 0.3839(3) 0.7169(3) 0.0268(13) Uani 1 1 d . . .
H1A H 0.8215 0.3292 0.7102 0.040 Uiso 1 1 calc R . .
H1B H 0.7389 0.3982 0.6749 0.040 Uiso 1 1 calc R . .
H1C H 0.7367 0.3838 0.7599 0.040 Uiso 1 1 calc R . .
C2 C 0.8787(4) 0.4733(3) 0.9906(2) 0.0254(11) Uani 1 1 d . . .
H2A H 0.8428 0.5025 1.0311 0.038 Uiso 1 1 calc R . .
H2B H 0.9644 0.4691 0.9980 0.038 Uiso 1 1 calc R . .
H2C H 0.8447 0.4180 0.9871 0.038 Uiso 1 1 calc R . .
C3 C 1.0714(5) 0.6404(3) 0.8094(2) 0.0189(11) Uani 1 1 d . . .
H3A H 1.1533 0.6616 0.8141 0.023 Uiso 1 1 calc R . .
H3B H 1.0195 0.6880 0.7990 0.023 Uiso 1 1 calc R . .
C4 C 1.2219(4) 0.5417(3) 0.7152(2) 0.0197(10) Uani 1 1 d . . .
C5 C 1.3124(4) 0.5487(3) 0.7633(3) 0.0264(12) Uani 1 1 d . . .
H5 H 1.2975 0.5715 0.8094 0.032 Uiso 1 1 calc R . .
C6 C 1.4259(4) 0.5230(3) 0.7458(2) 0.0316(13) Uani 1 1 d . . .
H6 H 1.4879 0.5289 0.7798 0.038 Uiso 1 1 calc R . .
C7 C 1.4499(5) 0.4887(3) 0.6793(3) 0.0309(14) Uani 1 1 d . . .
H7 H 1.5273 0.4699 0.6678 0.037 Uiso 1 1 calc R . .
C8 C 1.3592(5) 0.4823(3) 0.6301(3) 0.0340(14) Uani 1 1 d . . .
H8 H 1.3744 0.4605 0.5837 0.041 Uiso 1 1 calc R . .
C9 C 1.2455(5) 0.5076(3) 0.6481(3) 0.0288(13) Uani 1 1 d . . .
H9 H 1.1832 0.5016 0.6142 0.035 Uiso 1 1 calc R . .
C10 C 1.0432(4) 0.6440(3) 0.6582(2) 0.0193(11) Uani 1 1 d . . .
C11 C 1.1017(5) 0.7199(3) 0.6577(3) 0.0294(13) Uani 1 1 d . . .
H11 H 1.1594 0.7318 0.6934 0.035 Uiso 1 1 calc R . .
C12 C 1.0758(5) 0.7775(3) 0.6056(3) 0.0358(14) Uani 1 1 d . . .
H12 H 1.1160 0.8288 0.6055 0.043 Uiso 1 1 calc R . .
C13 C 0.9928(5) 0.7612(3) 0.5544(3) 0.0320(14) Uani 1 1 d . . .
H13 H 0.9734 0.8021 0.5199 0.038 Uiso 1 1 calc R . .
C14 C 0.9369(5) 0.6860(3) 0.5523(3) 0.0287(13) Uani 1 1 d . . .
H14 H 0.8811 0.6741 0.5156 0.034 Uiso 1 1 calc R . .
C15 C 0.9630(4) 0.6278(3) 0.6046(3) 0.0218(11) Uani 1 1 d . . .
H15 H 0.9246 0.5758 0.6032 0.026 Uiso 1 1 calc R . .
C16 C 1.1520(4) 0.5316(3) 0.9194(2) 0.0187(10) Uani 1 1 d . . .
C17 C 1.1488(4) 0.4508(3) 0.8951(3) 0.0252(11) Uani 1 1 d . . .
H17 H 1.0801 0.4309 0.8711 0.030 Uiso 1 1 calc R . .
C18 C 1.2449(4) 0.3987(3) 0.9054(3) 0.0297(13) Uani 1 1 d . . .
H18 H 1.2421 0.3436 0.8884 0.036 Uiso 1 1 calc R . .
C19 C 1.3447(5) 0.4274(3) 0.9404(3) 0.0357(14) Uani 1 1 d . . .
H19 H 1.4109 0.3923 0.9472 0.043 Uiso 1 1 calc R . .
C20 C 1.3478(5) 0.5071(3) 0.9653(3) 0.0275(13) Uani 1 1 d . . .
H20 H 1.4161 0.5263 0.9900 0.033 Uiso 1 1 calc R . .
C21 C 1.2537(4) 0.5590(3) 0.9551(2) 0.0244(13) Uani 1 1 d . . .
H21 H 1.2575 0.6139 0.9723 0.029 Uiso 1 1 calc R . .
C22 C 1.0369(5) 0.6856(3) 0.9572(3) 0.0219(12) Uani 1 1 d . . .
C23 C 0.9618(5) 0.6863(3) 1.0164(3) 0.0308(13) Uani 1 1 d . . .
H23 H 0.9103 0.6410 1.0244 0.037 Uiso 1 1 calc R . .
C24 C 0.9608(5) 0.7515(3) 1.0639(3) 0.0390(15) Uani 1 1 d . . .
H24 H 0.9090 0.7511 1.1041 0.047 Uiso 1 1 calc R . .
C25 C 1.0360(5) 0.8179(3) 1.0523(3) 0.0367(15) Uani 1 1 d . . .
H25 H 1.0358 0.8628 1.0849 0.044 Uiso 1 1 calc R . .
C26 C 1.1088(6) 0.8186(3) 0.9954(3) 0.0401(16) Uani 1 1 d . . .
H26 H 1.1594 0.8645 0.9879 0.048 Uiso 1 1 calc R . .
C27 C 1.1113(5) 0.7531(3) 0.9471(3) 0.0347(15) Uani 1 1 d . . .
H27 H 1.1638 0.7545 0.9073 0.042 Uiso 1 1 calc R . .
C28 C 0.6793(4) 0.4782(3) 0.9000(2) 0.0218(11) Uani 1 1 d . . .
H28A H 0.6892 0.4193 0.8907 0.033 Uiso 1 1 calc R . .
H28B H 0.6277 0.5022 0.8632 0.033 Uiso 1 1 calc R . .
H28C H 0.6433 0.4859 0.9475 0.033 Uiso 1 1 calc R . .
C29 C 0.7312(4) 0.6739(3) 0.8117(3) 0.0215(12) Uani 1 1 d . . .
H29 H 0.7389 0.7044 0.8550 0.026 Uiso 1 1 calc R . .
C30 C 0.6595(5) 0.7069(3) 0.7560(2) 0.0205(11) Uani 1 1 d . . .
C31 C 0.5955(5) 0.7816(3) 0.7633(3) 0.0297(13) Uani 1 1 d . . .
H31 H 0.6051 0.8153 0.8046 0.036 Uiso 1 1 calc R . .
C32 C 0.5198(5) 0.8037(3) 0.7096(3) 0.0354(15) Uani 1 1 d . . .
H32 H 0.4753 0.8530 0.7139 0.043 Uiso 1 1 calc R . .
C33 C 0.5066(5) 0.7552(3) 0.6481(3) 0.0309(13) Uani 1 1 d . . .
H33 H 0.4517 0.7713 0.6121 0.037 Uiso 1 1 calc R . .
C34 C 0.5713(5) 0.6848(3) 0.6390(3) 0.0275(12) Uani 1 1 d . . .
H34 H 0.5636 0.6532 0.5964 0.033 Uiso 1 1 calc R . .
C35 C 0.6487(4) 0.6603(3) 0.6931(2) 0.0191(11) Uani 1 1 d . . .
C36 C 0.7214(4) 0.5894(3) 0.6894(2) 0.0189(11) Uani 1 1 d . . .
H36 H 0.7205 0.5589 0.6459 0.023 Uiso 1 1 calc R . .
C37 C 1.0403(5) 0.3760(3) 0.7151(3) 0.0294(14) Uani 1 1 d . . .
H37A H 1.0118 0.3270 0.7404 0.044 Uiso 1 1 calc R . .
H37B H 1.1179 0.3919 0.7342 0.044 Uiso 1 1 calc R . .
H37C H 1.0476 0.3638 0.6637 0.044 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'
P P 0.1023 0.0942 '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
C37 Pt1 C1 87.41(19) . . ?
C37 Pt1 N1 175.52(18) . . ?
C1 Pt1 N1 88.25(16) . . ?
C37 Pt1 P2 94.05(14) . . ?
C1 Pt1 P2 174.10(15) . . ?
N1 Pt1 P2 90.15(10) . . ?
C2 Pt2 C28 85.17(18) . . ?
C2 Pt2 N2 172.06(17) . . ?
C28 Pt2 N2 88.47(16) . . ?
C2 Pt2 P1 93.30(14) . . ?
C28 Pt2 P1 178.44(13) . . ?
N2 Pt2 P1 93.08(11) . . ?
C16 P1 C22 105.6(2) . . ?
C16 P1 C3 102.5(2) . . ?
C22 P1 C3 102.9(2) . . ?
C16 P1 Pt2 116.53(16) . . ?
C22 P1 Pt2 113.17(18) . . ?
C3 P1 Pt2 114.65(16) . . ?
C10 P2 C4 100.3(2) . . ?
C10 P2 C3 100.3(2) . . ?
C4 P2 C3 104.7(2) . . ?
C10 P2 Pt1 110.45(16) . . ?
C4 P2 Pt1 119.96(16) . . ?
C3 P2 Pt1 117.99(16) . . ?
C36 N1 N2 118.5(4) . . ?
C36 N1 Pt1 124.9(3) . . ?
N2 N1 Pt1 116.1(3) . . ?
C29 N2 N1 119.4(4) . . ?
C29 N2 Pt2 122.7(3) . . ?
N1 N2 Pt2 116.8(3) . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Pt2 C2 H2A 109.5 . . ?
Pt2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Pt2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 P2 116.5(2) . . ?
P1 C3 H3A 108.2 . . ?
P2 C3 H3A 108.2 . . ?
P1 C3 H3B 108.2 . . ?
P2 C3 H3B 108.2 . . ?
H3A C3 H3B 107.3 . . ?
C5 C4 C9 118.6(5) . . ?
C5 C4 P2 126.0(4) . . ?
C9 C4 P2 115.4(4) . . ?
C4 C5 C6 120.8(5) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 120.9(5) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C6 118.6(5) . . ?
C8 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
C7 C8 C9 120.3(5) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C4 120.7(5) . . ?
C8 C9 H9 119.6 . . ?
C4 C9 H9 119.6 . . ?
C15 C10 C11 118.4(4) . . ?
C15 C10 P2 120.5(4) . . ?
C11 C10 P2 121.1(4) . . ?
C12 C11 C10 120.2(5) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 120.4(5) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 120.5(5) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C15 119.2(5) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C10 C15 C14 121.2(5) . . ?
C10 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C21 118.5(4) . . ?
C17 C16 P1 117.1(4) . . ?
C21 C16 P1 124.2(4) . . ?
C18 C17 C16 120.7(5) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 119.7(5) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C18 119.9(6) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C21 C20 C19 120.8(5) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C16 120.5(5) . . ?
C20 C21 H21 119.8 . . ?
C16 C21 H21 119.8 . . ?
C23 C22 C27 117.8(5) . . ?
C23 C22 P1 117.1(4) . . ?
C27 C22 P1 125.0(4) . . ?
C24 C23 C22 121.3(5) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C23 C24 C25 119.5(5) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C26 C25 C24 120.3(5) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 121.0(5) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C26 C27 C22 120.2(5) . . ?
C26 C27 H27 119.9 . . ?
C22 C27 H27 119.9 . . ?
Pt2 C28 H28A 109.5 . . ?
Pt2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Pt2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 C29 C30 123.4(4) . . ?
N2 C29 H29 118.3 . . ?
C30 C29 H29 118.3 . . ?
C35 C30 C31 119.9(4) . . ?
C35 C30 C29 117.2(4) . . ?
C31 C30 C29 122.9(4) . . ?
C32 C31 C30 118.3(5) . . ?
C32 C31 H31 120.9 . . ?
C30 C31 H31 120.9 . . ?
C31 C32 C33 121.2(5) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C34 C33 C32 121.1(5) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 C35 119.0(5) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
C34 C35 C30 120.3(4) . . ?
C34 C35 C36 124.2(4) . . ?
C30 C35 C36 115.5(4) . . ?
N1 C36 C35 125.1(4) . . ?
N1 C36 H36 117.4 . . ?
C35 C36 H36 117.4 . . ?
Pt1 C37 H37A 109.5 . . ?
Pt1 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Pt1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
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 C37 2.051(5) . ?
Pt1 C1 2.096(5) . ?
Pt1 N1 2.130(4) . ?
Pt1 P2 2.2908(13) . ?
Pt2 C2 2.053(4) . ?
Pt2 C28 2.106(4) . ?
Pt2 N2 2.115(4) . ?
Pt2 P1 2.2682(12) . ?
P1 C16 1.818(5) . ?
P1 C22 1.833(5) . ?
P1 C3 1.843(4) . ?
P2 C10 1.837(5) . ?
P2 C4 1.838(5) . ?
P2 C3 1.853(4) . ?
N1 C36 1.311(6) . ?
N1 N2 1.384(5) . ?
N2 C29 1.315(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.363(6) . ?
C4 C9 1.394(6) . ?
C5 C6 1.387(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.385(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.378(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.389(7) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C15 1.375(6) . ?
C10 C11 1.400(6) . ?
C11 C12 1.380(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.364(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.391(6) . ?
C16 C21 1.400(6) . ?
C17 C18 1.390(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.370(7) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.391(7) . ?
C22 C27 1.396(7) . ?
C23 C24 1.381(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.341(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.394(7) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.421(6) . ?
C29 H29 0.9500 . ?
C30 C35 1.401(6) . ?
C30 C31 1.421(6) . ?
C31 C32 1.364(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.398(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.368(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.392(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.416(6) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
