#------------------------------------------------------------------------------
#$Date: 2026-03-04 12:23:17 +0100 (Wed 04 de Mar de 2026) $
#$Revision: 304757 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/04/7720489.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_7720489
loop_
_publ_author_name
'Pattnaik, Archana Kumari'
'Behera, Gobinda Chandra'
_publ_section_title
;
 From discrete to polymeric assemblies: exploring supramolecular
 structural diversity in transition metal phosphinates with N-donor
 ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              694
_journal_page_last               709
_journal_paper_doi               10.1039/d5dt01622c
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C36 H34 Co N2 O5 P2'
_chemical_formula_weight         695.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-09 deposited with the CCDC.	2025-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                112.507(4)
_cell_angle_beta                 91.947(5)
_cell_angle_gamma                115.772(4)
_cell_formula_units_Z            2
_cell_length_a                   11.9816(17)
_cell_length_b                   12.7736(17)
_cell_length_c                   13.4767(17)
_cell_measurement_reflns_used    8104
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.85
_cell_measurement_theta_min      2.25
_cell_volume                     1665.4(4)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0748
_diffrn_reflns_av_unetI/netI     0.0647
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            34937
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.432
_diffrn_reflns_theta_min         1.973
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       block
_exptl_crystal_F_000             722
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         8282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0567P)²+0.2229P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1219
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6087
_reflns_number_total             8282
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01622c2.cif
_cod_data_source_block           100
_cod_database_code               7720489
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.77123(3) 0.96084(3) 0.43740(2) 0.02402(9) Uani 1 1 d . . . . .
O1 O 1.07339(14) 0.86184(15) 0.46379(13) 0.0328(4) Uani 1 1 d . . . . .
P1 P 0.94186(5) 0.78738(5) 0.38992(5) 0.02640(13) Uani 1 1 d . . . . .
N1 N 0.74289(18) 0.92408(18) 0.57988(15) 0.0298(4) Uani 1 1 d . . . . .
C1 C 0.6370(2) 0.9056(2) 0.6170(2) 0.0376(5) Uani 1 1 d . . . . .
H1 H 0.566227 0.891036 0.571920 0.045 Uiso 1 1 calc R U . . .
N2 N 0.79969(18) 0.99888(19) 1.29529(15) 0.0331(4) Uani 1 1 d . . . . .
P2 P 0.46905(6) 0.76197(6) 0.28912(5) 0.03112(14) Uani 1 1 d . . . . .
O2 O 0.86729(14) 0.85613(15) 0.39717(13) 0.0335(4) Uani 1 1 d . . . . .
C2 C 0.6285(3) 0.9073(3) 0.7184(2) 0.0452(6) Uani 1 1 d . . . . .
H2 H 0.553124 0.895151 0.741055 0.054 Uiso 1 1 calc R U . . .
C3 C 0.7299(3) 0.9269(3) 0.7871(2) 0.0452(7) Uani 1 1 d . . . . .
O3 O 0.66233(17) 1.06535(18) 0.46946(15) 0.0358(4) Uani 1 1 d . . . . .
H3A H 0.653(3) 1.100(3) 0.533(3) 0.054 Uiso 1 1 d . U . . .
H3B H 0.587(3) 1.010(3) 0.426(2) 0.054 Uiso 1 1 d . U . . .
C4 C 0.8374(3) 0.9396(2) 0.7466(2) 0.0441(6) Uani 1 1 d . . . . .
H4 H 0.907341 0.949128 0.788571 0.053 Uiso 1 1 calc R U . . .
O4 O 0.59951(14) 0.79235(15) 0.33966(13) 0.0367(4) Uani 1 1 d . . . . .
C5 C 0.8407(2) 0.9383(2) 0.64461(19) 0.0345(5) Uani 1 1 d . . . . .
H5 H 0.914148 0.947731 0.619263 0.041 Uiso 1 1 calc R U . . .
O5 O 0.42548(15) 0.85867(16) 0.34435(13) 0.0392(4) Uani 1 1 d . . . . .
C6 C 0.7237(3) 0.9308(4) 0.9001(2) 0.0706(10) Uani 1 1 d . . . . .
H6A H 0.646137 0.932717 0.916255 0.085 Uiso 1 1 calc R U . . .
H6AB H 0.716243 0.850708 0.896585 0.085 Uiso 1 1 calc R U . . .
C7 C 0.8316(3) 1.0396(3) 0.9933(2) 0.0721(11) Uani 1 1 d . . . . .
H7A H 0.834173 1.119989 1.003266 0.087 Uiso 1 1 calc R U . . .
H7AB H 0.910677 1.043494 0.975546 0.087 Uiso 1 1 calc R U . . .
C8 C 0.8227(3) 1.0276(3) 1.1008(2) 0.0494(7) Uani 1 1 d . . . . .
C9 C 0.8167(3) 1.1179(3) 1.1928(2) 0.0669(10) Uani 1 1 d . . . . .
H9 H 0.820357 1.191642 1.191676 0.080 Uiso 1 1 calc R U . . .
C10 C 0.8051(3) 1.1005(3) 1.2874(2) 0.0557(8) Uani 1 1 d . . . . .
H10 H 0.800989 1.163736 1.348802 0.067 Uiso 1 1 calc R U . . .
C11 C 0.8076(3) 0.9123(3) 1.2065(2) 0.0487(7) Uani 1 1 d . . . . .
H11 H 0.804974 0.839933 1.209985 0.058 Uiso 1 1 calc R U . . .
C12 C 0.8195(3) 0.9233(3) 1.1092(2) 0.0549(8) Uani 1 1 d . . . . .
H12 H 0.825313 0.859842 1.049425 0.066 Uiso 1 1 calc R U . . .
C13 C 0.3558(2) 0.6076(2) 0.28118(19) 0.0358(5) Uani 1 1 d . . . . .
C14 C 0.3942(3) 0.5211(3) 0.2827(2) 0.0507(7) Uani 1 1 d . . . . .
H14 H 0.479318 0.541857 0.286284 0.061 Uiso 1 1 calc R U . . .
C15 C 0.3084(3) 0.4043(3) 0.2789(3) 0.0678(9) Uani 1 1 d . . . . .
H15 H 0.335867 0.346997 0.280578 0.081 Uiso 1 1 calc R U . . .
C16 C 0.1831(3) 0.3723(3) 0.2728(3) 0.0710(10) Uani 1 1 d . . . . .
H16 H 0.125121 0.293115 0.270019 0.085 Uiso 1 1 calc R U . . .
C17 C 0.1429(3) 0.4561(3) 0.2706(3) 0.0662(9) Uani 1 1 d . . . . .
H17 H 0.057381 0.434224 0.266273 0.079 Uiso 1 1 calc R U . . .
C18 C 0.2286(2) 0.5731(3) 0.2750(2) 0.0507(7) Uani 1 1 d . . . . .
H18 H 0.200452 0.629983 0.273660 0.061 Uiso 1 1 calc R U . . .
C19 C 0.4607(2) 0.7377(2) 0.14678(19) 0.0354(5) Uani 1 1 d . . . . .
C20 C 0.5083(3) 0.6647(3) 0.0770(3) 0.0664(9) Uani 1 1 d . . . . .
H20 H 0.547679 0.629105 0.104116 0.080 Uiso 1 1 calc R U . . .
C21 C 0.4986(4) 0.6434(4) -0.0320(3) 0.0827(12) Uani 1 1 d . . . . .
H21 H 0.532010 0.594624 -0.077535 0.099 Uiso 1 1 calc R U . . .
C22 C 0.4403(4) 0.6936(4) -0.0726(3) 0.0782(11) Uani 1 1 d . . . . .
H22 H 0.430769 0.676811 -0.146802 0.094 Uiso 1 1 calc R U . . .
C23 C 0.3968(4) 0.7671(4) -0.0063(3) 0.0880(12) Uani 1 1 d . . . . .
H23 H 0.358602 0.803042 -0.034120 0.106 Uiso 1 1 calc R U . . .
C24 C 0.4078(3) 0.7910(3) 0.1050(3) 0.0639(9) Uani 1 1 d . . . . .
H24 H 0.378364 0.844046 0.150585 0.077 Uiso 1 1 calc R U . . .
C25 C 0.8506(2) 0.6457(2) 0.4109(2) 0.0354(5) Uani 1 1 d . . . . .
C26 C 0.9047(3) 0.5725(3) 0.4173(3) 0.0560(8) Uani 1 1 d . . . . .
H26 H 0.990135 0.600255 0.416002 0.067 Uiso 1 1 calc R U . . .
C27 C 0.8355(3) 0.4597(3) 0.4256(3) 0.0714(10) Uani 1 1 d . . . . .
H27 H 0.873616 0.411046 0.429095 0.086 Uiso 1 1 calc R U . . .
C28 C 0.7100(3) 0.4183(3) 0.4287(3) 0.0711(10) Uani 1 1 d . . . . .
H28 H 0.662569 0.341469 0.434150 0.085 Uiso 1 1 calc R U . . .
C29 C 0.6549(3) 0.4904(3) 0.4238(3) 0.0688(9) Uani 1 1 d . . . . .
H29 H 0.569777 0.462819 0.426522 0.083 Uiso 1 1 calc R U . . .
C30 C 0.7245(3) 0.6039(3) 0.4147(2) 0.0502(7) Uani 1 1 d . . . . .
H30 H 0.686143 0.652382 0.411178 0.060 Uiso 1 1 calc R U . . .
C31 C 0.9514(2) 0.7192(2) 0.24738(18) 0.0317(5) Uani 1 1 d . . . . .
C32 C 0.8396(3) 0.6404(3) 0.1628(2) 0.0510(7) Uani 1 1 d . . . . .
H32 H 0.760962 0.619876 0.180938 0.061 Uiso 1 1 calc R U . . .
C33 C 0.8435(4) 0.5926(3) 0.0536(3) 0.0718(10) Uani 1 1 d . . . . .
H33 H 0.768319 0.540847 -0.001893 0.086 Uiso 1 1 calc R U . . .
C34 C 0.9587(4) 0.6218(3) 0.0273(3) 0.0748(11) Uani 1 1 d . . . . .
H34 H 0.962276 0.590739 -0.046555 0.090 Uiso 1 1 calc R U . . .
C35 C 1.0697(4) 0.6970(3) 0.1094(3) 0.0663(9) Uani 1 1 d . . . . .
H35 H 1.147785 0.714927 0.090661 0.080 Uiso 1 1 calc R U . . .
C36 C 1.0663(3) 0.7459(3) 0.2192(2) 0.0431(6) Uani 1 1 d . . . . .
H36 H 1.141854 0.796984 0.274173 0.052 Uiso 1 1 calc R U . . .
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'
Co Co 0.3494 0.9721 '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'
P P 0.1023 0.0942 '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
O1 Co1 O2 97.14(6) 2_776 . ?
O1 Co1 O4 172.81(6) 2_776 . ?
O2 Co1 O4 90.03(6) . . ?
O1 Co1 N1 89.43(7) 2_776 . ?
O2 Co1 N1 89.51(7) . . ?
O4 Co1 N1 91.19(7) . . ?
O1 Co1 N2 90.33(7) 2_776 1_554 ?
O2 Co1 N2 90.81(7) . 1_554 ?
O4 Co1 N2 89.02(7) . 1_554 ?
N1 Co1 N2 179.63(7) . 1_554 ?
O1 Co1 O3 85.53(7) 2_776 . ?
O2 Co1 O3 176.44(6) . . ?
O4 Co1 O3 87.29(7) . . ?
N1 Co1 O3 92.89(7) . . ?
N2 Co1 O3 86.80(7) 1_554 . ?
P1 O1 Co1 147.94(10) . 2_776 ?
O2 P1 O1 118.28(9) . . ?
O2 P1 C25 109.36(10) . . ?
O1 P1 C25 108.64(10) . . ?
O2 P1 C31 107.67(10) . . ?
O1 P1 C31 108.95(10) . . ?
C25 P1 C31 102.83(11) . . ?
C1 N1 C5 116.9(2) . . ?
C1 N1 Co1 122.89(15) . . ?
C5 N1 Co1 119.45(16) . . ?
N1 C1 C2 122.8(2) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C10 N2 C11 116.3(2) . . ?
C10 N2 Co1 125.04(17) . 1_556 ?
C11 N2 Co1 118.57(17) . 1_556 ?
O5 P2 O4 117.62(10) . . ?
O5 P2 C13 109.09(11) . . ?
O4 P2 C13 107.72(10) . . ?
O5 P2 C19 107.41(11) . . ?
O4 P2 C19 108.96(10) . . ?
C13 P2 C19 105.37(11) . . ?
P1 O2 Co1 169.62(10) . . ?
C1 C2 C3 120.6(2) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C2 C3 C4 116.6(2) . . ?
C2 C3 C6 121.7(3) . . ?
C4 C3 C6 121.6(3) . . ?
Co1 O3 H3A 122(2) . . ?
Co1 O3 H3B 105.5(19) . . ?
H3A O3 H3B 108(3) . . ?
C5 C4 C3 120.0(2) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
P2 O4 Co1 135.98(10) . . ?
N1 C5 C4 122.8(2) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C7 C6 C3 116.9(3) . . ?
C7 C6 H6A 108.1 . . ?
C3 C6 H6A 108.1 . . ?
C7 C6 H6AB 108.1 . . ?
C3 C6 H6AB 108.1 . . ?
H6A C6 H6AB 107.3 . . ?
C6 C7 C8 112.8(3) . . ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
C6 C7 H7AB 109.0 . . ?
C8 C7 H7AB 109.0 . . ?
H7A C7 H7AB 107.8 . . ?
C9 C8 C12 116.6(2) . . ?
C9 C8 C7 122.7(3) . . ?
C12 C8 C7 120.7(3) . . ?
C8 C9 C10 120.4(3) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
N2 C10 C9 123.2(3) . . ?
N2 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
N2 C11 C12 123.6(3) . . ?
N2 C11 H11 118.2 . . ?
C12 C11 H11 118.2 . . ?
C8 C12 C11 119.8(3) . . ?
C8 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C18 117.9(2) . . ?
C14 C13 P2 120.8(2) . . ?
C18 C13 P2 121.3(2) . . ?
C15 C14 C13 120.9(3) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C14 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 121.1(3) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C24 C19 C20 117.4(3) . . ?
C24 C19 P2 121.1(2) . . ?
C20 C19 P2 121.5(2) . . ?
C21 C20 C19 121.4(3) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C20 119.8(4) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 119.9(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.8(4) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C19 C24 C23 120.6(3) . . ?
C19 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C30 118.4(2) . . ?
C26 C25 P1 119.9(2) . . ?
C30 C25 P1 121.60(19) . . ?
C27 C26 C25 121.3(3) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C26 C27 C28 119.9(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C27 119.7(3) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.4(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 120.2(3) . . ?
C25 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C36 C31 C32 118.5(2) . . ?
C36 C31 P1 121.78(18) . . ?
C32 C31 P1 119.7(2) . . ?
C33 C32 C31 121.3(3) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C34 C33 C32 119.3(3) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C33 C34 C35 120.3(3) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 120.6(3) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C31 C36 C35 120.0(3) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
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
Co1 O1 2.0554(15) 2_776 ?
Co1 O2 2.0576(15) . ?
Co1 O4 2.0965(16) . ?
Co1 N1 2.1491(18) . ?
Co1 N2 2.1525(19) 1_554 ?
Co1 O3 2.1869(17) . ?
O1 P1 1.4981(15) . ?
P1 O2 1.4837(15) . ?
P1 C25 1.801(2) . ?
P1 C31 1.811(2) . ?
N1 C1 1.337(3) . ?
N1 C5 1.339(3) . ?
C1 C2 1.366(3) . ?
C1 H1 0.9300 . ?
N2 C10 1.317(3) . ?
N2 C11 1.323(3) . ?
P2 O5 1.4951(17) . ?
P2 O4 1.5019(16) . ?
P2 C13 1.801(3) . ?
P2 C19 1.814(2) . ?
C2 C3 1.371(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.384(4) . ?
C3 C6 1.509(3) . ?
O3 H3A 0.83(3) . ?
O3 H3B 0.86(3) . ?
C4 C5 1.370(3) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.474(4) . ?
C6 H6A 0.9700 . ?
C6 H6AB 0.9700 . ?
C7 C8 1.516(4) . ?
C7 H7A 0.9700 . ?
C7 H7AB 0.9700 . ?
C8 C9 1.362(4) . ?
C8 C12 1.364(4) . ?
C9 C10 1.377(4) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.377(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.376(3) . ?
C13 C18 1.379(3) . ?
C14 C15 1.375(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.361(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.373(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.352(4) . ?
C19 C20 1.381(4) . ?
C20 C21 1.379(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.353(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.329(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.400(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.374(3) . ?
C25 C30 1.377(3) . ?
C26 C27 1.366(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.368(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.365(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(4) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.372(3) . ?
C31 C32 1.397(3) . ?
C32 C33 1.373(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.363(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.375(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.379(4) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
