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#$Date: 2019-11-23 06:27:36 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232326 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/74/4347457.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_4347457
loop_
_publ_author_name
'Jiang, Xiang'
'Liu, Cai-Ming'
'Kou, Hui-Zhong'
_publ_section_title
;
 Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5880
_journal_page_last               5885
_journal_paper_doi               10.1021/acs.inorgchem.6b00179
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety
'C36 H34 Mn3 N5 O11,2(C3 H7 N O),C H4 O, H2 O'
_chemical_formula_sum            'C43 H54 Mn3 N7 O15'
_chemical_formula_weight         1073.75
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   39.510(6)
_cell_length_b                   39.510(6)
_cell_length_c                   15.795(3)
_cell_measurement_temperature    293(2)
_cell_volume                     21353(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area-detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1781
_diffrn_reflns_av_unetI/netI     0.1229
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            60992
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.496
_diffrn_reflns_theta_min         3.022
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_description       block
_exptl_crystal_F_000             10008
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         9828
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.2039
_refine_ls_R_factor_gt           0.0950
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1685P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2647
_refine_ls_wR_factor_ref         0.3214
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4330
_reflns_number_total             9828
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00179_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        21352(7)
_cod_database_code               4347457
_shelx_shelxl_version_number     2014/7
_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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Mn1 Mn 0.53065(2) 0.04605(2) 1.03282(5) 0.0538(2) Uani 1 1 d . .
Mn2 Mn 0.57473(2) 0.05317(2) 0.86095(6) 0.0552(2) Uani 1 1 d . .
Mn3 Mn 0.61696(2) 0.05416(3) 1.03796(6) 0.0617(3) Uani 1 1 d . .
C5 C 0.62690(17) 0.19208(16) 0.8896(5) 0.075(2) Uani 1 1 d . .
H5 H 0.6365 0.1811 0.8513 0.090 Uiso 1 1 calc R U
C4 C 0.64430(17) 0.23160(17) 0.8957(5) 0.079(2) Uani 1 1 d . .
H4 H 0.6660 0.2471 0.8621 0.095 Uiso 1 1 calc R U
C2 C 0.64932(16) 0.29273(15) 0.9551(5) 0.075(2) Uani 1 1 d . .
C9 C 0.57707(17) 0.12477(17) 0.9333(4) 0.0688(19) Uani 1 1 d . .
C3 C 0.63073(15) 0.24939(16) 0.9504(5) 0.069(2) Uani 1 1 d . .
C7 C 0.58147(19) 0.18541(17) 0.9933(5) 0.085(2) Uani 1 1 d . .
H7 H 0.5603 0.1698 1.0281 0.103 Uiso 1 1 calc R U
C8 C 0.59799(19) 0.22494(18) 0.9970(5) 0.087(2) Uani 1 1 d . .
H8 H 0.5869 0.2357 1.0319 0.104 Uiso 1 1 calc R U
C6 C 0.59534(16) 0.16810(15) 0.9393(4) 0.0643(18) Uani 1 1 d . .
C17 C 0.48286(17) 0.04902(16) 1.1685(4) 0.0652(17) Uani 1 1 d . .
C22 C 0.5115(2) 0.0591(2) 1.2315(4) 0.084(2) Uani 1 1 d . .
C19 C 0.4374(2) 0.0468(3) 1.2752(5) 0.117(2) Uani 1 1 d . U
H19 H 0.4126 0.0416 1.2906 0.140 Uiso 1 1 calc R U
C18 C 0.44533(19) 0.04333(19) 1.1920(5) 0.084(2) Uani 1 1 d . .
H18 H 0.4263 0.0373 1.1509 0.100 Uiso 1 1 calc R U
C20 C 0.4646(3) 0.0572(3) 1.3329(6) 0.133(3) Uani 1 1 d . U
H20 H 0.4588 0.0610 1.3880 0.160 Uiso 1 1 calc R U
C21 C 0.5031(3) 0.0632(3) 1.3155(5) 0.146(3) Uani 1 1 d . .
H21 H 0.5215 0.0696 1.3583 0.175 Uiso 1 1 calc R U
C29 C 0.69540(15) 0.04837(16) 0.9836(4) 0.0563(16) Uani 1 1 d . .
C30 C 0.67110(17) 0.04958(17) 0.9166(4) 0.0648(17) Uani 1 1 d . .
H30 H 0.6783 0.0482 0.8611 0.078 Uiso 1 1 calc R U
C28 C 0.72714(17) 0.04407(18) 0.9631(4) 0.0708(19) Uani 1 1 d . .
H28 H 0.7316 0.0413 0.9064 0.085 Uiso 1 1 calc R U
C27 C 0.75250(18) 0.0438(2) 1.0235(5) 0.086(2) Uani 1 1 d . .
H27 H 0.7736 0.0408 1.0080 0.103 Uiso 1 1 calc R U
C25 C 0.71482(19) 0.0533(2) 1.1302(5) 0.081(2) Uani 1 1 d . .
H25 H 0.7107 0.0563 1.1870 0.098 Uiso 1 1 calc R U
C24 C 0.68937(17) 0.05410(18) 1.0684(4) 0.0699(19) Uani 1 1 d . .
C26 C 0.74539(19) 0.0481(2) 1.1075(5) 0.088(2) Uani 1 1 d . .
H26 H 0.7617 0.0475 1.1493 0.105 Uiso 1 1 calc R U
C15 C 0.51066(18) 0.0406(2) 0.7092(4) 0.075(2) Uani 1 1 d . .
C14 C 0.4854(2) 0.0394(3) 0.6446(5) 0.131(4) Uani 1 1 d . .
H14 H 0.4601 0.0333 0.6586 0.157 Uiso 1 1 calc R U
C11 C 0.5613(3) 0.0612(3) 0.6053(5) 0.135(3) Uani 1 1 d . U
H11 H 0.5860 0.0664 0.5888 0.162 Uiso 1 1 calc R U
C10 C 0.54971(19) 0.0524(2) 0.6889(4) 0.075(2) Uani 1 1 d . .
O1 O 0.57171(10) 0.04432(9) 0.9777(2) 0.0522(10) Uani 1 1 d . .
O5 O 0.49668(10) 0.02167(10) 0.9349(2) 0.0567(11) Uani 1 1 d . .
O4 O 0.57551(11) 0.05419(13) 0.7434(3) 0.0721(13) Uani 1 1 d . .
O6 O 0.48886(11) 0.04524(11) 1.0888(3) 0.0685(12) Uani 1 1 d . .
O9 O 0.62377(11) 0.05567(13) 0.8550(3) 0.0748(13) Uani 1 1 d . .
O7 O 0.59605(11) 0.05995(12) 1.1420(3) 0.0722(13) Uani 1 1 d . .
O8 O 0.66063(12) 0.06054(14) 1.0955(3) 0.0854(14) Uani 1 1 d . .
N2 N 0.56073(13) 0.05789(13) 1.1390(3) 0.0603(13) Uani 1 1 d . .
N3 N 0.64029(13) 0.05236(14) 0.9278(3) 0.0640(14) Uani 1 1 d . .
N1 N 0.51694(13) 0.03360(12) 0.8591(3) 0.0565(13) Uani 1 1 d . .
O2 O 0.58844(12) 0.11111(11) 0.8745(3) 0.0710(13) Uani 1 1 d . .
O3 O 0.55141(12) 0.10458(11) 0.9888(3) 0.0746(13) Uani 1 1 d . .
C13 C 0.4968(3) 0.0467(3) 0.5640(6) 0.146(4) Uani 1 1 d . U
H13 H 0.4789 0.0414 0.5208 0.176 Uiso 1 1 calc R U
C16 C 0.49626(17) 0.03159(17) 0.7942(4) 0.0658(18) Uani 1 1 d . .
H16 H 0.4701 0.0237 0.8032 0.079 Uiso 1 1 calc R U
C12 C 0.5361(3) 0.0622(3) 0.5467(6) 0.152(3) Uani 1 1 d . U
H12 H 0.5457 0.0737 0.4942 0.182 Uiso 1 1 calc R U
C23 C 0.54825(19) 0.0622(2) 1.2131(4) 0.078(2) Uani 1 1 d . .
H23 H 0.5653 0.0680 1.2585 0.094 Uiso 1 1 calc R U
C1 C 0.68926(17) 0.31604(16) 0.9545(5) 0.078(2) Uani 1 1 d . .
H1 H 0.7047 0.3044 0.9537 0.094 Uiso 1 1 calc R U
O10 O 0.64792(14) 0.11994(14) 1.0228(3) 0.1110(19) Uani 1 1 d D U
O11 O 0.59555(17) -0.00812(12) 1.0543(3) 0.122(2) Uani 1 1 d D .
C31 C 0.67278(18) 0.14055(15) 0.9713(4) 0.132(3) Uani 1 1 d D U
H31 H 0.6740 0.1290 0.9209 0.158 Uiso 1 1 calc R U
C33 C 0.7260(2) 0.2016(3) 0.9210(5) 0.216(6) Uani 1 1 d D U
H33A H 0.7508 0.2040 0.9345 0.323 Uiso 1 1 calc R U
H33B H 0.7287 0.2271 0.9187 0.323 Uiso 1 1 calc R U
H33C H 0.7173 0.1891 0.8670 0.323 Uiso 1 1 calc R U
C32 C 0.6977(4) 0.1982(2) 1.0570(4) 0.300(10) Uani 1 1 d D U
H32A H 0.7223 0.2217 1.0653 0.450 Uiso 1 1 calc R U
H32B H 0.6925 0.1810 1.1043 0.450 Uiso 1 1 calc R U
H32C H 0.6773 0.2046 1.0526 0.450 Uiso 1 1 calc R U
N4 N 0.6991(2) 0.17961(16) 0.9822(4) 0.166(4) Uani 1 1 d D U
C35 C 0.61564(13) -0.06301(17) 1.0048(5) 0.110(2) Uani 1 1 d D U
H35A H 0.6233 -0.0554 0.9471 0.165 Uiso 1 1 calc R U
H35B H 0.6169 -0.0861 1.0172 0.165 Uiso 1 1 calc R U
H35C H 0.6329 -0.0423 1.0419 0.165 Uiso 1 1 calc R U
C34 C 0.57098(17) -0.04041(13) 1.0419(5) 0.134(3) Uani 1 1 d D U
H34 H 0.5452 -0.0465 1.0492 0.161 Uiso 1 1 calc R U
C36 C 0.5456(2) -0.10813(18) 1.0018(7) 0.209(5) Uani 1 1 d D U
H36A H 0.5519 -0.1206 0.9574 0.314 Uiso 1 1 calc R U
H36B H 0.5233 -0.1059 0.9854 0.314 Uiso 1 1 calc R U
H36C H 0.5395 -0.1234 1.0526 0.314 Uiso 1 1 calc R U
N5 N 0.57769(15) -0.07060(14) 1.0167(5) 0.158(3) Uani 1 1 d D 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'
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'
Mn Mn 0.3368 0.7283 '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
O6 Mn1 O1 177.27(17) . .
O6 Mn1 O5 89.01(17) . .
O1 Mn1 O5 90.46(16) . .
O6 Mn1 N2 91.4(2) . .
O1 Mn1 N2 88.52(19) . .
O5 Mn1 N2 166.61(18) . .
O6 Mn1 O3 91.73(18) . .
O1 Mn1 O3 90.98(16) . .
O5 Mn1 O3 94.18(17) . .
N2 Mn1 O3 99.18(18) . .
O6 Mn1 O5 88.80(16) . 10_657
O1 Mn1 O5 88.47(14) . 10_657
O5 Mn1 O5 78.59(16) . 10_657
N2 Mn1 O5 88.04(16) . 10_657
O3 Mn1 O5 172.74(16) . 10_657
O4 Mn2 O1 171.50(18) . .
O4 Mn2 O9 86.77(18) . .
O1 Mn2 O9 91.54(17) . .
O4 Mn2 N1 89.84(18) . .
O1 Mn2 N1 89.33(17) . .
O9 Mn2 N1 162.8(2) . .
O4 Mn2 O2 94.97(19) . .
O1 Mn2 O2 93.51(16) . .
O9 Mn2 O2 104.53(18) . .
N1 Mn2 O2 92.61(18) . .
O8 Mn3 O1 176.3(2) . .
O8 Mn3 O7 89.49(19) . .
O1 Mn3 O7 92.11(17) . .
O8 Mn3 N3 91.0(2) . .
O1 Mn3 N3 87.67(18) . .
O7 Mn3 N3 175.7(2) . .
O8 Mn3 O11 84.5(2) . .
O1 Mn3 O11 91.97(19) . .
O7 Mn3 O11 95.0(2) . .
N3 Mn3 O11 89.3(2) . .
O8 Mn3 O10 87.9(2) . .
O1 Mn3 O10 95.47(18) . .
O7 Mn3 O10 88.35(19) . .
N3 Mn3 O10 87.4(2) . .
O11 Mn3 O10 171.7(2) . .
C4 C5 C6 121.0(7) . .
C5 C4 C3 121.8(6) . .
C1 C2 C1 118.2(6) . 3_665
C1 C2 C3 120.8(6) . .
C1 C2 C3 120.9(5) 3_665 .
O2 C9 O3 125.4(6) . .
O2 C9 C6 117.7(5) . .
O3 C9 C6 116.9(6) . .
C8 C3 C4 116.4(6) . .
C8 C3 C2 121.9(6) . .
C4 C3 C2 121.6(5) . .
C8 C7 C6 121.3(6) . .
C7 C8 C3 121.7(7) . .
C7 C6 C5 117.6(5) . .
C7 C6 C9 121.9(5) . .
C5 C6 C9 120.5(6) . .
O6 C17 C22 123.3(6) . .
O6 C17 C18 117.8(6) . .
C22 C17 C18 118.9(6) . .
C21 C22 C17 120.1(7) . .
C21 C22 C23 118.3(7) . .
C17 C22 C23 121.4(6) . .
C20 C19 C18 120.5(8) . .
C19 C18 C17 120.1(7) . .
C19 C20 C21 123.3(9) . .
C22 C21 C20 117.0(8) . .
C28 C29 C24 118.9(6) . .
C28 C29 C30 119.2(6) . .
C24 C29 C30 121.7(6) . .
N3 C30 C29 125.0(6) . .
C29 C28 C27 122.8(7) . .
C26 C27 C28 117.8(7) . .
C26 C25 C24 120.9(7) . .
O8 C24 C29 124.1(6) . .
O8 C24 C25 117.4(6) . .
C29 C24 C25 118.4(7) . .
C25 C26 C27 121.1(7) . .
C10 C15 C14 119.1(6) . .
C10 C15 C16 122.0(6) . .
C14 C15 C16 118.9(6) . .
C13 C14 C15 121.7(8) . .
C12 C11 C10 119.8(9) . .
O4 C10 C11 117.6(7) . .
O4 C10 C15 124.3(6) . .
C11 C10 C15 118.1(7) . .
Mn2 O1 Mn1 115.3(2) . .
Mn2 O1 Mn3 119.60(18) . .
Mn1 O1 Mn3 120.44(19) . .
N1 O5 Mn1 112.2(3) . .
N1 O5 Mn1 115.2(3) . 10_657
Mn1 O5 Mn1 101.41(16) . 10_657
C10 O4 Mn2 130.7(4) . .
C17 O6 Mn1 131.9(4) . .
N3 O9 Mn2 118.7(3) . .
N2 O7 Mn3 117.2(3) . .
C24 O8 Mn3 129.2(4) . .
C23 N2 O7 113.7(5) . .
C23 N2 Mn1 124.6(4) . .
O7 N2 Mn1 121.6(4) . .
C30 N3 O9 114.3(5) . .
C30 N3 Mn3 126.8(4) . .
O9 N3 Mn3 118.9(4) . .
C16 N1 O5 115.2(5) . .
C16 N1 Mn2 126.7(4) . .
O5 N1 Mn2 118.0(3) . .
C9 O2 Mn2 126.3(4) . .
C9 O3 Mn1 130.8(4) . .
C14 C13 C12 118.0(9) . .
N1 C16 C15 124.7(6) . .
C11 C12 C13 121.5(9) . .
N2 C23 C22 127.1(6) . .
C2 C1 C2 121.8(6) . 2_655
C31 O10 Mn3 128.9(5) . .
C34 O11 Mn3 148.5(6) . .
O10 C31 N4 124.8(6) . .
C31 N4 C33 122.2(6) . .
C31 N4 C32 119.1(6) . .
C33 N4 C32 118.7(6) . .
O11 C34 N5 124.6(6) . .
C35 N5 C34 119.9(4) . .
C35 N5 C36 120.9(6) . .
C34 N5 C36 119.3(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O6 1.860(4) .
Mn1 O1 1.872(4) .
Mn1 O5 1.956(4) .
Mn1 N2 1.972(5) .
Mn1 O3 2.147(4) .
Mn1 O5 2.386(4) 10_657
Mn2 O4 1.857(4) .
Mn2 O1 1.869(4) .
Mn2 O9 1.893(4) .
Mn2 N1 2.012(5) .
Mn2 O2 2.083(4) .
Mn3 O8 1.852(4) .
Mn3 O1 1.887(4) .
Mn3 O7 1.904(4) .
Mn3 N3 1.987(5) .
Mn3 O11 2.180(4) .
Mn3 O10 2.265(5) .
C5 C4 1.359(8) .
C5 C6 1.373(8) .
C4 C3 1.379(9) .
C2 C1 1.373(8) .
C2 C1 1.390(8) 3_665
C2 C3 1.490(8) .
C9 O2 1.264(8) .
C9 O3 1.274(7) .
C9 C6 1.492(8) .
C3 C8 1.378(8) .
C7 C8 1.360(8) .
C7 C6 1.367(9) .
C17 O6 1.302(7) .
C17 C22 1.408(9) .
C17 C18 1.433(9) .
C22 C21 1.396(10) .
C22 C23 1.423(10) .
C19 C20 1.307(12) .
C19 C18 1.373(10) .
C20 C21 1.447(12) .
C29 C28 1.385(9) .
C29 C24 1.398(9) .
C29 C30 1.447(8) .
C30 N3 1.288(8) .
C28 C27 1.388(9) .
C27 C26 1.385(10) .
C25 C26 1.369(10) .
C25 C24 1.414(9) .
C24 O8 1.351(8) .
C15 C10 1.408(9) .
C15 C14 1.412(10) .
C15 C16 1.432(8) .
C14 C13 1.333(11) .
C11 C12 1.374(13) .
C11 C10 1.383(10) .
C10 O4 1.309(8) .
O5 N1 1.386(6) .
O5 Mn1 2.386(4) 10_657
O9 N3 1.360(6) .
O7 N2 1.357(6) .
N2 C23 1.315(8) .
N1 C16 1.288(7) .
C13 C12 1.381(13) .
C1 C2 1.390(8) 2_655
O10 C31 1.221(6) .
O11 C34 1.171(5) .
C31 N4 1.374(6) .
C33 N4 1.377(6) .
C32 N4 1.408(7) .
C35 N5 1.387(6) .
C34 N5 1.402(6) .
C36 N5 1.408(6) .
