#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:18:16 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290181 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/48/7714882.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_7714882
loop_
_publ_author_name
'Monini, Valeria'
'Bonechi, Marco'
'Bazzicalupi, Carla'
'Bianchi, Antonio'
'Gentilesca, Pietro'
'Giurlani, Walter'
'Innocenti, Massimo'
'Meoli, Arianna'
'Romano, Giammarco Maria'
'Savastano, Matteo'
_publ_section_title
;
 Oxygen reduction reaction (ORR) in alkaline solution catalysed by an
 atomically precise catalyst based on a Pd(II) complex supported on
 multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural
 considerations.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2487
_journal_page_last               2500
_journal_paper_doi               10.1039/d3dt03947a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C48 H109 Cl3 N28 O31'
_chemical_formula_weight         1680.98
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2023-11-21 deposited with the CCDC.	2023-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.056(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.1345(14)
_cell_length_b                   8.3617(3)
_cell_length_c                   25.1795(10)
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      79.66
_cell_measurement_theta_min      2.45
_cell_volume                     7603.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Mercury 3.10.1'
_computing_publication_material  'PARST(Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0845
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            44576
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         80.154
_diffrn_reflns_theta_min         2.447
_exptl_absorpt_coefficient_mu    1.966
_exptl_absorpt_correction_T_max  0.7543
_exptl_absorpt_correction_T_min  0.4447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3568
_exptl_crystal_size_max          1.000
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.821
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         8184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0793
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1406P)²+15.6119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2294
_refine_ls_wR_factor_ref         0.2401
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7018
_reflns_number_total             8184
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03947a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7714882--7714886.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7714882
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_min   0.244
_shelx_estimated_absorpt_t_max   0.590
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_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
Cl1 Cl 0.23037(2) 0.96986(9) 0.66127(3) 0.0347(2) Uani 1 1 d . . . . .
O21 O 0.47949(11) 0.2632(4) 0.7128(2) 0.0924(13) Uani 1 1 d . . . . .
N2 N 0.32882(7) 0.6829(3) 0.50666(9) 0.0311(5) Uani 1 1 d . . . . .
Cl2 Cl 0.500000 0.36114(14) 0.750000 0.0495(3) Uani 1 2 d S T P . .
O22 O 0.47505(11) 0.4580(6) 0.77667(18) 0.1026(15) Uani 1 1 d . . . . .
N13 N 0.34984(7) 0.7306(3) 0.28157(10) 0.0339(5) Uani 1 1 d . . . . .
H13A H 0.344128 0.664527 0.307227 0.041 Uiso 1 1 calc R U . . .
H13B H 0.334873 0.741128 0.253449 0.041 Uiso 1 1 calc R U . . .
O3 O 0.43328(6) 1.1181(3) 0.21756(8) 0.0348(5) Uani 1 1 d . . . . .
O11 O 0.23138(6) 0.8887(3) 0.71228(9) 0.0475(6) Uani 1 1 d . . . . .
N8 N 0.41409(7) 0.6162(3) 0.81937(10) 0.0316(5) Uani 1 1 d . . . . .
H8A H 0.417946 0.558039 0.790970 0.038 Uiso 1 1 calc R U . . .
H8B H 0.430567 0.616990 0.845966 0.038 Uiso 1 1 calc R U . . .
OW4 O 0.40621(6) 1.0890(3) 1.09849(8) 0.0377(5) Uani 1 1 d . . . . .
O14 O 0.24304(6) 0.8629(3) 0.62105(9) 0.0431(5) Uani 1 1 d . . . . .
O4 O 0.34131(6) 0.8656(3) 0.18809(9) 0.0388(5) Uani 1 1 d . . . . .
O12 O 0.19255(6) 1.0157(3) 0.64911(9) 0.0403(5) Uani 1 1 d . . . . .
O2 O 0.43001(6) 0.7353(3) 0.91285(8) 0.0398(5) Uani 1 1 d . . . . .
O13 O 0.25341(8) 1.1079(4) 0.66505(13) 0.0600(7) Uani 1 1 d . . . . .
OW6 O 0.48243(6) 0.8133(3) 0.98581(9) 0.0380(5) Uani 1 1 d . . . . .
OW5 O 0.47685(6) 0.9781(3) 1.07735(9) 0.0392(5) Uani 1 1 d . . . . .
N9 N 0.35949(6) 0.6971(3) 0.78087(8) 0.0254(5) Uani 1 1 d . . . . .
N1 N 0.40882(6) 0.6571(3) 0.48850(8) 0.0264(5) Uani 1 1 d . . . . .
N5 N 0.30387(6) 0.7713(3) 0.74371(8) 0.0280(5) Uani 1 1 d . . . . .
H5 H 0.284261 0.833740 0.743414 0.034 Uiso 1 1 calc R U . . .
N10 N 0.45671(6) 0.8552(3) 0.37479(8) 0.0278(5) Uani 1 1 d . . . . .
H10 H 0.476450 0.916096 0.379169 0.033 Uiso 1 1 calc R U . . .
N11 N 0.44338(6) 0.9975(3) 0.29796(8) 0.0270(5) Uani 1 1 d . . . . .
N14 N 0.40278(6) 0.7938(3) 0.32874(9) 0.0277(5) Uani 1 1 d . . . . .
N6 N 0.32057(6) 0.8860(3) 0.82451(8) 0.0270(5) Uani 1 1 d . . . . .
N4 N 0.42475(7) 0.5799(3) 0.60662(8) 0.0293(5) Uani 1 1 d . . . . .
N3 N 0.34130(7) 0.6092(3) 0.61607(9) 0.0305(5) Uani 1 1 d . . . . .
O1 O 0.33337(8) 0.9648(4) 0.90931(10) 0.0580(8) Uani 1 1 d . . . . .
N12 N 0.37221(7) 0.9400(3) 0.19599(9) 0.0323(5) Uani 1 1 d . . . . .
N7 N 0.39897(7) 0.8113(3) 0.91218(9) 0.0355(6) Uani 1 1 d . . . . .
C17 C 0.38349(7) 0.7025(3) 0.82209(10) 0.0258(5) Uani 1 1 d . . . . .
C20 C 0.43380(7) 0.8804(3) 0.33311(10) 0.0264(5) Uani 1 1 d . . . . .
C24 C 0.38082(7) 0.8136(3) 0.28526(10) 0.0269(5) Uani 1 1 d . . . . .
C13 C 0.32867(7) 0.7832(3) 0.78354(10) 0.0245(5) Uani 1 1 d . . . . .
C16 C 0.37700(8) 0.7960(4) 0.86902(10) 0.0290(6) Uani 1 1 d . . . . .
C22 C 0.42344(7) 1.0188(4) 0.24959(10) 0.0278(6) Uani 1 1 d . . . . .
OW1 O 0.37448(10) 0.8718(5) 0.02418(11) 0.0743(10) Uani 1 1 d . . . . .
C18 C 0.42420(7) 0.7873(3) 0.45684(10) 0.0268(5) Uani 1 1 d . . . . .
H18A H 0.438139 0.860950 0.480968 0.032 Uiso 1 1 calc R U . . .
H18B H 0.403503 0.848426 0.439878 0.032 Uiso 1 1 calc R U . . .
C23 C 0.39041(7) 0.9204(3) 0.24294(10) 0.0278(5) Uani 1 1 d . . . . .
C11 C 0.33427(8) 0.7228(3) 0.65870(10) 0.0277(5) Uani 1 1 d . . . . .
H11A H 0.323441 0.821420 0.642939 0.033 Uiso 1 1 calc R U . . .
H11B H 0.358147 0.751804 0.676673 0.033 Uiso 1 1 calc R U . . .
C19 C 0.45004(7) 0.7299(4) 0.41336(10) 0.0290(6) Uani 1 1 d . . . . .
H19A H 0.473942 0.695435 0.430074 0.035 Uiso 1 1 calc R U . . .
H19B H 0.438760 0.636390 0.394882 0.035 Uiso 1 1 calc R U . . .
C10 C 0.43924(8) 0.5550(4) 0.51084(10) 0.0304(6) Uani 1 1 d . . . . .
H10A H 0.461233 0.622376 0.519094 0.036 Uiso 1 1 calc R U . . .
H10B H 0.446143 0.475076 0.483928 0.036 Uiso 1 1 calc R U . . .
C12 C 0.30808(8) 0.6579(4) 0.70028(10) 0.0296(6) Uani 1 1 d . . . . .
H12A H 0.283528 0.636112 0.683089 0.036 Uiso 1 1 calc R U . . .
H12B H 0.317993 0.555778 0.714722 0.036 Uiso 1 1 calc R U . . .
C21 C 0.47661(7) 1.0950(4) 0.30865(11) 0.0300(6) Uani 1 1 d . . . . .
H21A H 0.479342 1.172260 0.279781 0.045 Uiso 1 1 calc R U . . .
H21B H 0.474225 1.152360 0.342302 0.045 Uiso 1 1 calc R U . . .
H21C H 0.498453 1.025552 0.311009 0.045 Uiso 1 1 calc R U . . .
C1 C 0.38120(8) 0.5642(4) 0.45750(10) 0.0317(6) Uani 1 1 d . . . . .
H1A H 0.377618 0.459324 0.474836 0.038 Uiso 1 1 calc R U . . .
H1B H 0.390365 0.544419 0.421509 0.038 Uiso 1 1 calc R U . . .
C15 C 0.34285(9) 0.8886(4) 0.87085(11) 0.0343(6) Uani 1 1 d . . . . .
C14 C 0.28608(8) 0.9789(4) 0.82280(12) 0.0349(6) Uani 1 1 d . . . . .
H14A H 0.284968 1.044853 0.854881 0.052 Uiso 1 1 calc R U . . .
H14B H 0.285372 1.048073 0.791356 0.052 Uiso 1 1 calc R U . . .
H14C H 0.264866 0.905847 0.821022 0.052 Uiso 1 1 calc R U . . .
C9 C 0.42803(9) 0.4687(4) 0.56115(11) 0.0322(6) Uani 1 1 d . . . . .
H9A H 0.403986 0.414425 0.554255 0.039 Uiso 1 1 calc R U . . .
H9B H 0.446715 0.385792 0.570462 0.039 Uiso 1 1 calc R U . . .
C5 C 0.30647(9) 0.5594(4) 0.58829(11) 0.0349(6) Uani 1 1 d . . . . .
H5A H 0.287255 0.642153 0.592941 0.042 Uiso 1 1 calc R U . . .
H5B H 0.297588 0.458268 0.603805 0.042 Uiso 1 1 calc R U . . .
C6 C 0.36290(9) 0.4695(4) 0.63445(12) 0.0380(7) Uani 1 1 d . . . . .
H6A H 0.362526 0.388393 0.605791 0.046 Uiso 1 1 calc R U . . .
H6B H 0.350785 0.421974 0.665362 0.046 Uiso 1 1 calc R U . . .
C4 C 0.31276(9) 0.5360(4) 0.52959(12) 0.0374(7) Uani 1 1 d . . . . .
H4A H 0.329807 0.444829 0.524751 0.045 Uiso 1 1 calc R U . . .
H4B H 0.288946 0.510741 0.510791 0.045 Uiso 1 1 calc R U . . .
C8 C 0.46169(9) 0.6249(5) 0.62914(11) 0.0405(7) Uani 1 1 d . . . . .
H8C H 0.458774 0.698204 0.659054 0.061 Uiso 1 1 calc R U . . .
H8D H 0.474830 0.528590 0.641533 0.061 Uiso 1 1 calc R U . . .
H8E H 0.475914 0.677583 0.601727 0.061 Uiso 1 1 calc R U . . .
C2 C 0.34472(8) 0.6507(4) 0.45296(10) 0.0359(7) Uani 1 1 d . . . . .
H2A H 0.326908 0.585751 0.431358 0.043 Uiso 1 1 calc R U . . .
H2B H 0.348191 0.753578 0.434304 0.043 Uiso 1 1 calc R U . . .
C7 C 0.40259(10) 0.5070(4) 0.65011(11) 0.0384(7) Uani 1 1 d . . . . .
H7A H 0.414928 0.407002 0.662145 0.046 Uiso 1 1 calc R U . . .
H7B H 0.402893 0.581545 0.680665 0.046 Uiso 1 1 calc R U . . .
OW2 O 0.31066(13) 0.8577(5) 0.07933(18) 0.1022(16) Uani 1 1 d . . . . .
C3 C 0.30182(10) 0.8161(5) 0.50230(14) 0.0478(8) Uani 1 1 d . . . . .
H3A H 0.313738 0.909924 0.487006 0.072 Uiso 1 1 calc R U . . .
H3B H 0.280670 0.783780 0.479333 0.072 Uiso 1 1 calc R U . . .
H3C H 0.293220 0.842839 0.537693 0.072 Uiso 1 1 calc R U . . .
OW3 O 0.2382(2) 0.7326(11) 0.0414(3) 0.094(3) Uani 0.5 1 d . . P . .
H3 H 0.4534(13) 1.004(5) 1.0868(18) 0.054(12) Uiso 1 1 d . . . . .
H2 H 0.4617(13) 0.800(6) 0.9652(19) 0.057(12) Uiso 1 1 d . . . . .
H4 H 0.4735(12) 0.908(6) 1.0522(19) 0.051(12) Uiso 1 1 d . . . . .
H1 H 0.4957(15) 0.876(7) 0.969(2) 0.069(15) Uiso 1 1 d . . . . .
H8 H 0.3954(18) 1.066(8) 1.127(3) 0.10(2) Uiso 1 1 d . . . . .
H12 H 0.3468(11) 0.714(5) 0.5296(16) 0.041(10) Uiso 1 1 d . . . . .
H11 H 0.4139(16) 0.677(8) 0.597(2) 0.016(13) Uiso 0.5 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O13 Cl1 O14 110.56(16) . . ?
O13 Cl1 O12 110.24(17) . . ?
O14 Cl1 O12 109.82(14) . . ?
O13 Cl1 O11 108.88(18) . . ?
O14 Cl1 O11 109.49(15) . . ?
O12 Cl1 O11 107.80(14) . . ?
C3 N2 C4 112.7(2) . . ?
C3 N2 C2 109.7(2) . . ?
C4 N2 C2 111.5(2) . . ?
O22 Cl2 O22 109.4(5) 2_656 . ?
O22 Cl2 O21 110.1(3) 2_656 . ?
O22 Cl2 O21 108.5(2) . . ?
O22 Cl2 O21 108.5(2) 2_656 2_656 ?
O22 Cl2 O21 110.1(3) . 2_656 ?
O21 Cl2 O21 110.2(4) . 2_656 ?
C17 N9 C13 117.8(2) . . ?
C1 N1 C18 111.5(2) . . ?
C1 N1 C10 112.1(2) . . ?
C18 N1 C10 110.0(2) . . ?
C13 N5 C12 122.0(2) . . ?
C20 N10 C19 121.8(2) . . ?
C20 N11 C22 121.1(2) . . ?
C20 N11 C21 120.1(2) . . ?
C22 N11 C21 118.7(2) . . ?
C20 N14 C24 118.1(2) . . ?
C13 N6 C15 120.2(2) . . ?
C13 N6 C14 120.6(2) . . ?
C15 N6 C14 118.7(2) . . ?
C8 N4 C9 111.0(2) . . ?
C8 N4 C7 108.6(2) . . ?
C9 N4 C7 111.5(2) . . ?
C11 N3 C6 112.9(2) . . ?
C11 N3 C5 111.3(2) . . ?
C6 N3 C5 111.0(2) . . ?
O4 N12 C23 118.1(2) . . ?
O2 N7 C16 117.2(2) . . ?
N8 C17 N9 117.6(2) . . ?
N8 C17 C16 119.9(2) . . ?
N9 C17 C16 122.5(2) . . ?
N10 C20 N14 118.4(2) . . ?
N10 C20 N11 117.2(2) . . ?
N14 C20 N11 124.3(2) . . ?
N13 C24 N14 118.0(2) . . ?
N13 C24 C23 120.0(2) . . ?
N14 C24 C23 122.0(2) . . ?
N5 C13 N9 117.8(2) . . ?
N5 C13 N6 117.1(2) . . ?
N9 C13 N6 125.1(2) . . ?
N7 C16 C17 127.7(3) . . ?
N7 C16 C15 113.8(3) . . ?
C17 C16 C15 118.4(2) . . ?
O3 C22 N11 120.5(3) . . ?
O3 C22 C23 124.5(3) . . ?
N11 C22 C23 114.9(2) . . ?
N1 C18 C19 113.9(2) . . ?
N12 C23 C24 127.1(3) . . ?
N12 C23 C22 114.0(2) . . ?
C24 C23 C22 118.9(2) . . ?
N3 C11 C12 113.5(2) . . ?
N10 C19 C18 111.6(2) . . ?
N1 C10 C9 111.8(2) . . ?
N5 C12 C11 111.4(2) . . ?
N1 C1 C2 111.3(2) . . ?
O1 C15 N6 120.2(3) . . ?
O1 C15 C16 124.4(3) . . ?
N6 C15 C16 115.4(2) . . ?
N4 C9 C10 112.1(2) . . ?
N3 C5 C4 110.1(2) . . ?
N3 C6 C7 114.0(3) . . ?
N2 C4 C5 110.3(2) . . ?
C1 C2 N2 112.2(2) . . ?
C6 C7 N4 114.8(2) . . ?
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
Cl1 O13 1.424(3) . ?
Cl1 O14 1.438(2) . ?
Cl1 O12 1.442(2) . ?
Cl1 O11 1.452(2) . ?
O21 Cl2 1.431(4) . ?
N2 C3 1.483(4) . ?
N2 C4 1.484(4) . ?
N2 C2 1.512(3) . ?
Cl2 O22 1.401(3) 2_656 ?
Cl2 O22 1.401(3) . ?
N13 C24 1.318(4) . ?
O3 C22 1.219(3) . ?
N8 C17 1.324(4) . ?
O4 N12 1.288(3) . ?
O2 N7 1.289(3) . ?
N9 C17 1.329(3) . ?
N9 C13 1.330(3) . ?
N1 C1 1.467(3) . ?
N1 C18 1.470(3) . ?
N1 C10 1.486(4) . ?
N5 C13 1.325(3) . ?
N5 C12 1.460(3) . ?
N10 C20 1.330(4) . ?
N10 C19 1.455(3) . ?
N11 C20 1.373(3) . ?
N11 C22 1.404(3) . ?
N11 C21 1.468(3) . ?
N14 C20 1.336(4) . ?
N14 C24 1.339(4) . ?
N6 C13 1.382(3) . ?
N6 C15 1.394(4) . ?
N6 C14 1.468(3) . ?
N4 C8 1.480(4) . ?
N4 C9 1.483(3) . ?
N4 C7 1.508(4) . ?
N3 C11 1.462(3) . ?
N3 C6 1.470(4) . ?
N3 C5 1.477(4) . ?
O1 C15 1.219(4) . ?
N12 C23 1.342(4) . ?
N7 C16 1.329(4) . ?
C17 C16 1.443(4) . ?
C24 C23 1.442(4) . ?
C16 C15 1.459(4) . ?
C22 C23 1.454(4) . ?
C18 C19 1.541(3) . ?
C11 C12 1.535(3) . ?
C10 C9 1.525(4) . ?
C1 C2 1.504(4) . ?
C5 C4 1.516(4) . ?
C6 C7 1.506(5) . ?
