#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/30/4313016.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_4313016
loop_
_publ_author_name
'Rita Song'
'Kwan Mook Kim'
'Youn Soo Sohn'
_publ_section_title
;
 New Heterometallic Coordination Polymers Self-Assembled from Copper(II)
 Nitrate and (Diamine)PtII(pyridinecarboxylates)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.1021/ic0204777
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C21 H39 Cu2.5 N10 O26 Pt1.5'
_chemical_formula_weight         1299.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 107.80(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.042(8)
_cell_length_b                   12.490(4)
_cell_length_c                   31.150(7)
_cell_measurement_temperature    293(2)
_cell_volume                     8906(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.620
_diffrn_measured_fraction_theta_max 0.620
_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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            3949
_diffrn_reflns_theta_full        23.01
_diffrn_reflns_theta_max         23.01
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    5.969
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5060
_refine_diff_density_max         1.535
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         3851
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.599
_refine_ls_shift/su_mean         0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1409
_refine_ls_wR_factor_ref         0.1437
_reflns_number_gt                3677
_reflns_number_total             3851
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0204777_3.cif
_cod_data_source_block           cu
_cod_original_cell_volume        8907(5)
_cod_original_formula_sum        'C21 H39 Cu2.50 N10 O26 Pt1.50'
_cod_database_code               4313016
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.28217(3) 0.49248(5) 0.39029(3) 0.0451(2) Uani 1 1 d . . .
Pt2 Pt 0.5000 0.73117(9) 0.7500 0.0679(4) Uani 1 2 d S . .
Cu1 Cu 0.5000 1.0000 0.5000 0.0341(6) Uani 1 2 d S . .
Cu2 Cu 0.53736(9) 0.80281(16) 0.45702(7) 0.0412(5) Uani 1 1 d . . .
Cu3 Cu 0.59980(9) 0.87048(17) 0.57071(7) 0.0454(6) Uani 1 1 d . . .
N1 N 0.2920(8) 0.5344(13) 0.3303(6) 0.070(5) Uani 1 1 d . . .
H1A H 0.2706 0.5928 0.3192 0.084 Uiso 1 1 calc R . .
H1B H 0.3297 0.5488 0.3334 0.084 Uiso 1 1 calc R . .
N2 N 0.2733(7) 0.3416(11) 0.3643(5) 0.057(4) Uani 1 1 d . . .
H2A H 0.2997 0.2980 0.3828 0.068 Uiso 1 1 calc R . .
H2B H 0.2374 0.3165 0.3619 0.068 Uiso 1 1 calc R . .
N3 N 0.2946(6) 0.6446(10) 0.4143(5) 0.045(4) Uani 1 1 d . . .
N4 N 0.2757(6) 0.4429(11) 0.4501(5) 0.040(3) Uani 1 1 d . . .
N5 N 0.5292(11) 0.6124(14) 0.7953(6) 0.104(8) Uani 1 1 d . . .
H5A H 0.5672 0.6222 0.8105 0.125 Uiso 1 1 calc R . .
H5B H 0.5087 0.6110 0.8151 0.125 Uiso 1 1 calc R . .
N6 N 0.4692(8) 0.8457(12) 0.7016(5) 0.065(5) Uani 1 1 d . . .
O1 O 0.4227(5) 0.9352(8) 0.4674(4) 0.042(3) Uani 1 1 d . . .
O2 O 0.4514(5) 0.7882(8) 0.4381(4) 0.044(3) Uani 1 1 d . . .
O3 O 0.1201(5) 0.3355(9) 0.4669(4) 0.046(3) Uani 1 1 d . . .
O4 O 0.1600(5) 0.3493(10) 0.5421(5) 0.054(3) Uani 1 1 d . . .
O5 O 0.4776(5) 1.0024(8) 0.5672(4) 0.043(3) Uani 1 1 d . . .
O6 O 0.5480(5) 0.8944(10) 0.6063(4) 0.055(3) Uani 1 1 d . . .
O7 O 0.5345(4) 0.8580(8) 0.5152(3) 0.034(2) Uani 1 1 d . . .
O8 O 0.5383(5) 0.6287(10) 0.4898(5) 0.069(4) Uani 1 1 d . . .
O9 O 0.5355(6) 0.7412(11) 0.3984(5) 0.071(4) Uani 1 1 d . . .
O10 O 0.6634(5) 0.8935(12) 0.6262(4) 0.071(4) Uani 1 1 d . . .
O11 O 0.5993(5) 0.6873(10) 0.5821(5) 0.065(4) Uani 1 1 d . . .
C1 C 0.2713(15) 0.440(2) 0.2992(8) 0.112(10) Uani 1 1 d . . .
H1C H 0.2296 0.4468 0.2848 0.134 Uiso 1 1 calc R . .
H1D H 0.2900 0.4429 0.2756 0.134 Uiso 1 1 calc R . .
C2 C 0.2821(13) 0.343(2) 0.3193(8) 0.093(8) Uani 1 1 d . . .
H2C H 0.3221 0.3221 0.3224 0.112 Uiso 1 1 calc R . .
H2D H 0.2565 0.2901 0.3002 0.112 Uiso 1 1 calc R . .
C3 C 0.3441(7) 0.6957(13) 0.4208(6) 0.041(4) Uani 1 1 d . . .
H3 H 0.3742 0.6616 0.4131 0.050 Uiso 1 1 calc R . .
C4 C 0.3538(6) 0.7979(12) 0.4385(6) 0.039(4) Uani 1 1 d . . .
C5 C 0.3101(8) 0.8515(16) 0.4478(7) 0.068(6) Uani 1 1 d . . .
H5 H 0.3158 0.9199 0.4603 0.082 Uiso 1 1 calc R . .
C6 C 0.2569(8) 0.8011(15) 0.4382(8) 0.076(7) Uani 1 1 d . . .
H6 H 0.2252 0.8380 0.4421 0.092 Uiso 1 1 calc R . .
C7 C 0.2497(8) 0.6988(15) 0.4230(8) 0.066(6) Uani 1 1 d . . .
H7 H 0.2138 0.6650 0.4185 0.080 Uiso 1 1 calc R . .
C8 C 0.4142(7) 0.8451(13) 0.4484(6) 0.043(4) Uani 1 1 d . . .
C9 C 0.2253(7) 0.4059(12) 0.4554(6) 0.038(4) Uani 1 1 d . . .
H9 H 0.1931 0.3965 0.4300 0.046 Uiso 1 1 calc R . .
C10 C 0.2198(7) 0.3813(11) 0.4979(6) 0.039(4) Uani 1 1 d . . .
C11 C 0.2686(8) 0.3897(14) 0.5350(7) 0.053(5) Uani 1 1 d . . .
H11 H 0.2674 0.3711 0.5636 0.064 Uiso 1 1 calc R . .
C12 C 0.3192(8) 0.4265(15) 0.5284(7) 0.057(5) Uani 1 1 d . . .
H12 H 0.3529 0.4341 0.5527 0.069 Uiso 1 1 calc R . .
C13 C 0.3199(8) 0.4522(15) 0.4854(7) 0.051(5) Uani 1 1 d . . .
H13 H 0.3546 0.4778 0.4819 0.062 Uiso 1 1 calc R . .
C14 C 0.1606(8) 0.3529(12) 0.5011(7) 0.042(4) Uani 1 1 d . . .
C15 C 0.521(2) 0.5086(18) 0.7689(8) 0.155(17) Uani 1 1 d . . .
H15A H 0.5571 0.4916 0.7629 0.187 Uiso 1 1 calc R . .
H15B H 0.5135 0.4519 0.7877 0.187 Uiso 1 1 calc R . .
C16 C 0.4935(9) 0.8579(14) 0.6685(6) 0.053(5) Uani 1 1 d . . .
H16 H 0.5243 0.8138 0.6676 0.064 Uiso 1 1 calc R . .
C17 C 0.4737(8) 0.9338(15) 0.6363(6) 0.048(5) Uani 1 1 d . . .
C18 C 0.4253(10) 0.9958(18) 0.6364(7) 0.077(7) Uani 1 1 d . . .
H18 H 0.4096 1.0453 0.6136 0.092 Uiso 1 1 calc R . .
C19 C 0.4024(13) 0.983(2) 0.6697(9) 0.097(9) Uani 1 1 d . . .
H19 H 0.3716 1.0259 0.6711 0.117 Uiso 1 1 calc R . .
C20 C 0.4236(12) 0.905(2) 0.7020(9) 0.098(9) Uani 1 1 d . . .
H20 H 0.4058 0.8950 0.7244 0.117 Uiso 1 1 calc R . .
C21 C 0.5016(8) 0.9471(13) 0.5997(6) 0.040(4) Uani 1 1 d . . .
N7 N 0.291(2) -0.271(3) 0.6988(16) 0.21(2) Uani 1 1 d . . .
N8 N 0.4271(9) 0.6696(17) 0.5399(7) 0.085(6) Uani 1 1 d . . .
N9 N 0.0419(13) 0.9986(19) 0.1336(10) 0.112(9) Uani 1 1 d . . .
N10 N 0.3616(12) 0.720(2) 0.1522(10) 0.043(7) Uani 0.50 1 d PU . .
N11 N 0.097(3) 1.344(4) 0.2092(13) 0.120(18) Uani 0.50 1 d P . .
O12 O 0.2895(16) -0.186(3) 0.7206(14) 0.243(19) Uani 1 1 d . . .
O13 O 0.3321(17) -0.324(3) 0.7178(14) 0.242(18) Uani 1 1 d . . .
O14 O 0.250(3) -0.282(6) 0.6633(19) 0.52(5) Uani 1 1 d . . .
O15 O 0.4536(7) 0.7523(12) 0.5452(6) 0.092(5) Uani 1 1 d . . .
O16 O 0.4439(7) 0.5968(13) 0.5184(7) 0.107(6) Uani 1 1 d . . .
O17 O 0.3862(9) 0.6579(16) 0.5536(9) 0.147(9) Uani 1 1 d . . .
O18 O 0.0547(12) 0.9124(19) 0.1481(8) 0.161(10) Uani 1 1 d . . .
O19 O -0.0002(16) 1.039(2) 0.1327(12) 0.230(18) Uani 1 1 d . . .
O20 O 0.0691(13) 1.053(3) 0.1189(13) 0.229(17) Uani 1 1 d . . .
O21 O 0.3552(10) 0.7737(17) 0.1275(7) 0.044(6) Uani 0.50 1 d PU . .
O22 O 0.3304(13) 0.701(3) 0.1757(11) 0.086(9) Uani 0.50 1 d PU . .
O23 O 0.385(2) 0.646(4) 0.1472(15) 0.143(15) Uani 0.50 1 d PU . .
O24 O 0.106(2) 1.427(3) 0.2269(13) 0.135(18) Uani 0.50 1 d P . .
O25 O 0.116(2) 1.322(4) 0.1739(17) 0.18(2) Uani 0.50 1 d P . .
O26 O 0.052(3) 1.276(5) 0.2216(18) 0.23(3) Uani 0.50 1 d P . .
OW1 O 0.2668(9) 0.515(2) 0.1406(8) 0.155(9) Uani 1 1 d . . .
OW2 O 0.3578(10) 0.104(2) 0.0473(9) 0.174(10) Uani 1 1 d . . .
OW3 O 0.1471(12) 0.392(3) 0.7058(8) 0.189(12) 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
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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'
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 176.4(6) . . ?
N4 Pt1 N3 89.5(5) . . ?
N1 Pt1 N3 93.0(6) . . ?
N4 Pt1 N2 93.2(6) . . ?
N1 Pt1 N2 84.2(6) . . ?
N3 Pt1 N2 176.6(6) . . ?
N5 Pt2 N5 85.4(11) 2_656 . ?
N5 Pt2 N6 177.1(7) 2_656 2_656 ?
N5 Pt2 N6 91.7(7) . 2_656 ?
N5 Pt2 N6 91.7(7) 2_656 . ?
N5 Pt2 N6 177.1(7) . . ?
N6 Pt2 N6 91.3(9) 2_656 . ?
O7 Cu1 O7 180.000(3) . 5_676 ?
O7 Cu1 O1 89.1(4) . 5_676 ?
O7 Cu1 O1 90.9(4) 5_676 5_676 ?
O7 Cu1 O1 90.9(4) . . ?
O7 Cu1 O1 89.1(4) 5_676 . ?
O1 Cu1 O1 180.0(4) 5_676 . ?
O7 Cu1 O5 89.5(4) . . ?
O7 Cu1 O5 90.5(4) 5_676 . ?
O1 Cu1 O5 88.4(4) 5_676 . ?
O1 Cu1 O5 91.6(4) . . ?
O7 Cu1 O5 90.5(4) . 5_676 ?
O7 Cu1 O5 89.5(4) 5_676 5_676 ?
O1 Cu1 O5 91.6(4) 5_676 5_676 ?
O1 Cu1 O5 88.4(4) . 5_676 ?
O5 Cu1 O5 180.000(2) . 5_676 ?
O3 Cu2 O7 95.9(5) 3 . ?
O3 Cu2 O9 87.8(5) 3 . ?
O7 Cu2 O9 176.0(5) . . ?
O3 Cu2 O2 169.8(5) 3 . ?
O7 Cu2 O2 88.8(4) . . ?
O9 Cu2 O2 87.8(5) . . ?
O3 Cu2 O8 104.1(5) 3 . ?
O7 Cu2 O8 85.7(5) . . ?
O9 Cu2 O8 92.0(5) . . ?
O2 Cu2 O8 85.2(4) . . ?
O6 Cu3 O4 172.5(6) . 3 ?
O6 Cu3 O10 86.3(6) . . ?
O4 Cu3 O10 86.2(6) 3 . ?
O6 Cu3 O7 92.1(5) . . ?
O4 Cu3 O7 95.4(5) 3 . ?
O10 Cu3 O7 175.9(5) . . ?
O6 Cu3 O11 91.7(5) . . ?
O4 Cu3 O11 88.6(5) 3 . ?
O10 Cu3 O11 92.8(6) . . ?
O7 Cu3 O11 90.9(4) . . ?
C1 N1 Pt1 106.4(13) . . ?
C2 N2 Pt1 110.0(13) . . ?
C3 N3 C7 117.6(14) . . ?
C3 N3 Pt1 122.5(11) . . ?
C7 N3 Pt1 119.9(11) . . ?
C13 N4 C9 117.7(15) . . ?
C13 N4 Pt1 119.3(12) . . ?
C9 N4 Pt1 122.9(12) . . ?
C15 N5 Pt2 106.9(13) . . ?
C20 N6 C16 119.9(19) . . ?
C20 N6 Pt2 119.9(15) . . ?
C16 N6 Pt2 120.1(13) . . ?
C8 O1 Cu1 126.4(10) . . ?
C8 O2 Cu2 129.2(10) . . ?
C14 O3 Cu2 132.3(11) . 3_445 ?
C14 O4 Cu3 133.7(11) . 3_445 ?
C21 O5 Cu1 124.2(10) . . ?
C21 O6 Cu3 133.1(11) . . ?
Cu3 O7 Cu1 108.0(5) . . ?
Cu3 O7 Cu2 126.9(5) . . ?
Cu1 O7 Cu2 103.1(5) . . ?
C2 C1 N1 115(2) . . ?
C1 C2 N2 113(2) . . ?
N3 C3 C4 123.1(14) . . ?
C5 C4 C3 119.8(15) . . ?
C5 C4 C8 121.7(15) . . ?
C3 C4 C8 118.4(13) . . ?
C4 C5 C6 117.3(17) . . ?
C7 C6 C5 121.3(17) . . ?
C6 C7 N3 120.6(16) . . ?
O2 C8 O1 126.9(15) . . ?
O2 C8 C4 116.2(14) . . ?
O1 C8 C4 116.8(14) . . ?
N4 C9 C10 122.4(15) . . ?
C11 C10 C9 118.2(15) . . ?
C11 C10 C14 123.1(17) . . ?
C9 C10 C14 118.7(16) . . ?
C12 C11 C10 117.9(18) . . ?
C11 C12 C13 119.7(18) . . ?
N4 C13 C12 124.0(16) . . ?
O3 C14 O4 127.8(15) . . ?
O3 C14 C10 120.2(17) . . ?
O4 C14 C10 112.0(17) . . ?
C15 C15 N5 116(2) 2_656 . ?
N6 C16 C17 120.8(18) . . ?
C16 C17 C18 119.4(17) . . ?
C16 C17 C21 120.1(16) . . ?
C18 C17 C21 120.4(17) . . ?
C19 C18 C17 118(2) . . ?
C18 C19 C20 121(2) . . ?
N6 C20 C19 120(2) . . ?
O5 C21 O6 127.4(15) . . ?
O5 C21 C17 119.1(16) . . ?
O6 C21 C17 113.5(15) . . ?
O13 N7 O12 111(5) . . ?
O13 N7 O14 134(6) . . ?
O12 N7 O14 115(5) . . ?
O17 N8 O15 121(2) . . ?
O17 N8 O16 122(2) . . ?
O15 N8 O16 116.8(19) . . ?
O19 N9 O20 110(3) . . ?
O19 N9 O18 123(3) . . ?
O20 N9 O18 126(3) . . ?
O21 N10 O23 114(4) . . ?
O21 N10 O22 128(3) . . ?
O23 N10 O22 111(4) . . ?
O24 N11 O25 121(5) . . ?
O24 N11 O26 114(5) . . ?
O25 N11 O26 123(5) . . ?
N10 O21 O23 35(2) . . ?
N10 O23 O21 31(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
Pt1 N4 2.014(14) . ?
Pt1 N1 2.024(15) . ?
Pt1 N3 2.030(12) . ?
Pt1 N2 2.036(14) . ?
Pt2 N5 2.020(18) 2_656 ?
Pt2 N5 2.020(18) . ?
Pt2 N6 2.045(16) 2_656 ?
Pt2 N6 2.045(16) . ?
Cu1 O7 1.954(10) . ?
Cu1 O7 1.954(10) 5_676 ?
Cu1 O1 1.996(11) 5_676 ?
Cu1 O1 1.996(10) . ?
Cu1 O5 2.315(11) . ?
Cu1 O5 2.315(11) 5_676 ?
Cu2 O3 1.961(11) 3 ?
Cu2 O7 1.961(10) . ?
Cu2 O9 1.968(12) . ?
Cu2 O2 1.976(10) . ?
Cu2 O8 2.399(13) . ?
Cu3 O6 1.927(11) . ?
Cu3 O4 1.935(12) 3 ?
Cu3 O10 1.947(13) . ?
Cu3 O7 1.954(10) . ?
Cu3 O11 2.315(12) . ?
N1 C1 1.51(3) . ?
N2 C2 1.48(3) . ?
N3 C3 1.312(19) . ?
N3 C7 1.37(2) . ?
N4 C13 1.28(2) . ?
N4 C9 1.353(19) . ?
N5 C15 1.51(3) . ?
N6 C20 1.33(3) . ?
N6 C16 1.34(2) . ?
O1 C8 1.260(19) . ?
O2 C8 1.258(18) . ?
O3 C14 1.22(2) . ?
O3 Cu2 1.961(11) 3_445 ?
O4 C14 1.28(2) . ?
O4 Cu3 1.935(12) 3_445 ?
O5 C21 1.216(18) . ?
O6 C21 1.26(2) . ?
C1 C2 1.36(3) . ?
C3 C4 1.38(2) . ?
C4 C5 1.35(2) . ?
C4 C8 1.51(2) . ?
C5 C6 1.37(3) . ?
C6 C7 1.36(3) . ?
C9 C10 1.40(2) . ?
C10 C11 1.38(2) . ?
C10 C14 1.50(2) . ?
C11 C12 1.37(2) . ?
C12 C13 1.38(2) . ?
C15 C15 1.29(6) 2_656 ?
C16 C17 1.36(2) . ?
C17 C18 1.40(3) . ?
C17 C21 1.50(2) . ?
C18 C19 1.32(3) . ?
C19 C20 1.37(3) . ?
N7 O13 1.19(4) . ?
N7 O12 1.26(5) . ?
N7 O14 1.25(6) . ?
N8 O17 1.20(2) . ?
N8 O15 1.20(2) . ?
N8 O16 1.26(2) . ?
N9 O19 1.12(3) . ?
N9 O20 1.14(3) . ?
N9 O18 1.17(3) . ?
N10 O21 1.00(3) . ?
N10 O23 1.12(5) . ?
N10 O22 1.22(3) . ?
N11 O24 1.16(5) . ?
N11 O25 1.34(6) . ?
N11 O26 1.51(7) . ?
O21 O23 1.78(5) . ?
