#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:30:31 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180397 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/66/7206644.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_7206644
loop_
_publ_author_name
'Huang, Fu-Ping'
'Bian, He-Dong'
'Yu, Qing'
'Tian, Jin-Lei'
'Liang, Hong'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Coordination assemblies of Coii/Niii/Mnii/Znii with
 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional
 isomeric ligands: structural diversity and properties
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              6538
_journal_paper_doi               10.1039/c1ce05562c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C26 H19 Mn N5 O5'
_chemical_formula_weight         536.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 114.75(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.751(2)
_cell_length_b                   20.573(4)
_cell_length_c                   13.834(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2520.3(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.984
_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  0.1629
_diffrn_reflns_av_sigmaI/netI    0.1933
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12217
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.797
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4194
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1944
_refine_ls_R_factor_gt           0.1020
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0459P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1869
_reflns_number_gt                2293
_reflns_number_total             4194
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05562c.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      p21/C
_cod_database_code               7206644
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Mn1 Mn 0.73108(13) 0.00863(5) 0.47822(9) 0.0243(3) Uani 1 1 d .
C1 C 0.9752(10) 0.0772(4) 0.4185(6) 0.029(2) Uani 1 1 d .
C2 C 1.0613(8) 0.1410(3) 0.4350(6) 0.028(2) Uani 1 1 d .
C3 C 1.0627(9) 0.1843(4) 0.5150(7) 0.045(2) Uani 1 1 d .
H3A H 1.0058 0.1745 0.5528 0.054 Uiso 1 1 calc R
C4 C 1.1478(10) 0.2415(4) 0.5383(7) 0.049(3) Uani 1 1 d .
H4A H 1.1472 0.2696 0.5908 0.059 Uiso 1 1 calc R
C5 C 1.2341(10) 0.2559(4) 0.4819(8) 0.053(3) Uani 1 1 d .
H5 H 1.2932 0.2933 0.4982 0.064 Uiso 1 1 calc R
C6 C 1.2319(9) 0.2146(4) 0.4014(7) 0.040(2) Uani 1 1 d .
H6A H 1.2871 0.2256 0.3628 0.048 Uiso 1 1 calc R
C7 C 1.1472(8) 0.1563(3) 0.3773(6) 0.028(2) Uani 1 1 d .
C8 C 1.1355(9) 0.1174(4) 0.2803(6) 0.0269(19) Uani 1 1 d .
C9 C 1.0033(9) 0.1217(4) 0.1865(7) 0.041(2) Uani 1 1 d .
H9A H 0.9199 0.1430 0.1878 0.050 Uiso 1 1 calc R
C10 C 0.9927(11) 0.0946(5) 0.0897(7) 0.059(3) Uani 1 1 d .
H10A H 0.9036 0.0979 0.0282 0.070 Uiso 1 1 calc R
C11 C 1.1170(10) 0.0632(5) 0.0883(7) 0.052(3) Uani 1 1 d .
H11A H 1.1126 0.0460 0.0249 0.063 Uiso 1 1 calc R
C12 C 1.2499(9) 0.0572(4) 0.1820(7) 0.040(2) Uani 1 1 d .
H12A H 1.3329 0.0364 0.1794 0.048 Uiso 1 1 calc R
C13 C 1.2609(9) 0.0817(4) 0.2793(6) 0.030(2) Uani 1 1 d .
C14 C 1.4018(9) 0.0668(3) 0.3803(6) 0.0236(19) Uani 1 1 d .
C15 C 0.8832(9) 0.0864(4) 0.7132(6) 0.035(2) Uani 1 1 d .
H15A H 0.9337 0.0474 0.7384 0.042 Uiso 1 1 calc R
C16 C 0.9232(10) 0.1404(4) 0.7819(7) 0.049(3) Uani 1 1 d .
H16A H 0.9949 0.1367 0.8518 0.059 Uiso 1 1 calc R
C17 C 0.8522(9) 0.2001(4) 0.7421(6) 0.041(2) Uani 1 1 d .
H17A H 0.8792 0.2370 0.7849 0.050 Uiso 1 1 calc R
C18 C 0.7408(8) 0.2038(3) 0.6381(6) 0.0267(19) Uani 1 1 d .
C19 C 0.7055(8) 0.1461(3) 0.5776(6) 0.0263(19) Uani 1 1 d .
H19A H 0.6292 0.1479 0.5090 0.032 Uiso 1 1 calc R
C20 C 0.6620(8) 0.2654(3) 0.5864(6) 0.0273(19) Uani 1 1 d .
C21 C 0.5508(9) 0.3400(4) 0.4717(6) 0.030(2) Uani 1 1 d .
C22 C 0.4773(9) 0.3754(4) 0.3694(6) 0.030(2) Uani 1 1 d .
C23 C 0.4815(10) 0.3522(4) 0.2768(7) 0.045(2) Uani 1 1 d .
H23A H 0.5321 0.3136 0.2783 0.055 Uiso 1 1 calc R
C24 C 0.4107(9) 0.3861(4) 0.1811(6) 0.041(2) Uani 1 1 d .
H24A H 0.4160 0.3689 0.1206 0.049 Uiso 1 1 calc R
C25 C 0.3310(10) 0.4651(4) 0.2620(7) 0.048(3) Uani 1 1 d .
H25A H 0.2791 0.5037 0.2581 0.058 Uiso 1 1 calc R
C26 C 0.3991(10) 0.4349(4) 0.3606(7) 0.052(3) Uani 1 1 d .
H26A H 0.3935 0.4534 0.4202 0.063 Uiso 1 1 calc R
N1 N 0.7748(7) 0.0884(3) 0.6122(5) 0.0274(16) Uani 1 1 d .
N2 N 0.6162(7) 0.2790(3) 0.4819(5) 0.0323(17) Uani 1 1 d .
N3 N 0.6243(7) 0.3140(3) 0.6352(5) 0.0323(17) Uani 1 1 d .
N4 N 0.5533(7) 0.3629(3) 0.5634(5) 0.0348(17) Uani 1 1 d .
N5 N 0.3347(7) 0.4425(3) 0.1715(5) 0.0315(17) Uani 1 1 d .
O1 O 0.8422(6) 0.0802(2) 0.4153(4) 0.0315(14) Uani 1 1 d .
O2 O 1.0411(5) 0.0252(2) 0.4123(4) 0.0282(13) Uani 1 1 d .
O3 O 1.3892(5) 0.0603(2) 0.4684(4) 0.0296(13) Uani 1 1 d .
O4 O 1.5268(6) 0.0605(2) 0.3719(4) 0.0321(14) Uani 1 1 d .
O5 O 0.6810(8) 0.1953(3) 0.3389(5) 0.075(2) Uani 1 1 d DU
H3 H 0.6432 0.3169 0.6979 0.090 Uiso 1 1 d R
H5A H 0.7196 0.1623 0.3783 0.090 Uiso 1 1 d RD
H5B H 0.6735 0.2091 0.3944 0.090 Uiso 1 1 d RD
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'
Mn Mn 0.3368 0.7283 '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'
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
O3 Mn1 O4 94.48(19) 3_756 1_455 y
O3 Mn1 O1 176.74(19) 3_756 . y
O4 Mn1 O1 82.50(19) 1_455 . y
O3 Mn1 O2 95.33(18) 3_756 3_756 y
O4 Mn1 O2 168.82(18) 1_455 3_756 y
O1 Mn1 O2 87.80(18) . 3_756 y
O3 Mn1 N5 86.2(2) 3_756 2_645 y
O4 Mn1 N5 81.6(2) 1_455 2_645 y
O1 Mn1 N5 92.1(2) . 2_645 y
O2 Mn1 N5 104.4(2) 3_756 2_645 y
O3 Mn1 N1 97.6(2) 3_756 . y
O4 Mn1 N1 90.2(2) 1_455 . y
O1 Mn1 N1 83.7(2) . . y
O2 Mn1 N1 83.2(2) 3_756 . y
N5 Mn1 N1 171.2(2) 2_645 . y
O2 C1 O1 124.9(7) . . ?
O2 C1 C2 118.3(7) . . ?
O1 C1 C2 116.7(7) . . ?
C7 C2 C3 119.1(7) . . ?
C7 C2 C1 121.9(7) . . ?
C3 C2 C1 118.9(7) . . ?
C4 C3 C2 121.3(8) . . ?
C4 C3 H3A 119.4 . . ?
C2 C3 H3A 119.4 . . ?
C5 C4 C3 119.3(8) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
C6 C5 C4 120.3(8) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 121.1(8) . . ?
C5 C6 H6A 119.4 . . ?
C7 C6 H6A 119.4 . . ?
C2 C7 C6 118.8(7) . . ?
C2 C7 C8 122.4(7) . . ?
C6 C7 C8 118.3(7) . . ?
C9 C8 C13 118.9(7) . . ?
C9 C8 C7 119.0(7) . . ?
C13 C8 C7 121.9(7) . . ?
C8 C9 C10 121.9(8) . . ?
C8 C9 H9A 119.1 . . ?
C10 C9 H9A 119.1 . . ?
C11 C10 C9 118.8(8) . . ?
C11 C10 H10A 120.6 . . ?
C9 C10 H10A 120.6 . . ?
C10 C11 C12 120.3(9) . . ?
C10 C11 H11A 119.8 . . ?
C12 C11 H11A 119.8 . . ?
C13 C12 C11 121.8(8) . . ?
C13 C12 H12A 119.1 . . ?
C11 C12 H12A 119.1 . . ?
C12 C13 C8 118.2(7) . . ?
C12 C13 C14 119.0(7) . . ?
C8 C13 C14 122.7(7) . . ?
O4 C14 O3 123.4(7) . . ?
O4 C14 C13 117.7(7) . . ?
O3 C14 C13 118.9(7) . . ?
N1 C15 C16 123.3(7) . . ?
N1 C15 H15A 118.4 . . ?
C16 C15 H15A 118.4 . . ?
C17 C16 C15 118.3(7) . . ?
C17 C16 H16A 120.8 . . ?
C15 C16 H16A 120.8 . . ?
C18 C17 C16 119.6(7) . . ?
C18 C17 H17A 120.2 . . ?
C16 C17 H17A 120.2 . . ?
C17 C18 C19 117.3(7) . . ?
C17 C18 C20 124.0(7) . . ?
C19 C18 C20 118.6(7) . . ?
N1 C19 C18 124.6(7) . . ?
N1 C19 H19A 117.7 . . ?
C18 C19 H19A 117.7 . . ?
N3 C20 N2 110.3(6) . . ?
N3 C20 C18 125.7(7) . . ?
N2 C20 C18 124.0(7) . . ?
N4 C21 N2 113.3(7) . . ?
N4 C21 C22 122.6(7) . . ?
N2 C21 C22 124.0(7) . . ?
C23 C22 C26 116.2(7) . . ?
C23 C22 C21 121.6(7) . . ?
C26 C22 C21 122.2(7) . . ?
C22 C23 C24 120.7(7) . . ?
C22 C23 H23A 119.7 . . ?
C24 C23 H23A 119.7 . . ?
N5 C24 C23 123.7(8) . . ?
N5 C24 H24A 118.2 . . ?
C23 C24 H24A 118.2 . . ?
N5 C25 C26 124.7(8) . . ?
N5 C25 H25A 117.7 . . ?
C26 C25 H25A 117.7 . . ?
C25 C26 C22 119.3(8) . . ?
C25 C26 H26A 120.4 . . ?
C22 C26 H26A 120.4 . . ?
C15 N1 C19 116.8(6) . . ?
C15 N1 Mn1 126.3(5) . . ?
C19 N1 Mn1 115.5(5) . . ?
C20 N2 C21 103.1(6) . . ?
C20 N3 N4 110.0(6) . . ?
C20 N3 H3 127.4 . . ?
N4 N3 H3 122.4 . . ?
C21 N4 N3 103.2(6) . . ?
C24 N5 C25 115.5(7) . . ?
C24 N5 Mn1 121.5(5) . 2_655 ?
C25 N5 Mn1 121.2(5) . 2_655 ?
C1 O1 Mn1 127.6(5) . . ?
C1 O2 Mn1 127.6(5) . 3_756 ?
C14 O3 Mn1 132.6(4) . 3_756 ?
C14 O4 Mn1 128.4(5) . 1_655 ?
H5A O5 H5B 82.6 . . ?
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
Mn1 O3 2.158(5) 3_756 y
Mn1 O4 2.194(5) 1_455 y
Mn1 O1 2.211(5) . y
Mn1 O2 2.213(5) 3_756 y
Mn1 N5 2.333(6) 2_645 y
Mn1 N1 2.377(6) . y
C1 O2 1.269(8) . ?
C1 O1 1.281(9) . ?
C1 C2 1.524(10) . ?
C2 C7 1.413(10) . ?
C2 C3 1.418(10) . ?
C3 C4 1.397(11) . ?
C3 H3A 0.9300 . ?
C4 C5 1.398(12) . ?
C4 H4A 0.9300 . ?
C5 C6 1.394(11) . ?
C5 H5 0.9300 . ?
C6 C7 1.415(10) . ?
C6 H6A 0.9300 . ?
C7 C8 1.525(10) . ?
C8 C9 1.398(10) . ?
C8 C13 1.431(10) . ?
C9 C10 1.414(11) . ?
C9 H9A 0.9300 . ?
C10 C11 1.381(12) . ?
C10 H10A 0.9300 . ?
C11 C12 1.403(11) . ?
C11 H11A 0.9300 . ?
C12 C13 1.399(10) . ?
C12 H12A 0.9300 . ?
C13 C14 1.526(10) . ?
C14 O4 1.278(8) . ?
C14 O3 1.282(8) . ?
C15 N1 1.353(9) . ?
C15 C16 1.407(10) . ?
C15 H15A 0.9300 . ?
C16 C17 1.404(10) . ?
C16 H16A 0.9300 . ?
C17 C18 1.395(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.409(9) . ?
C18 C20 1.499(10) . ?
C19 N1 1.351(8) . ?
C19 H19A 0.9300 . ?
C20 N3 1.341(9) . ?
C20 N2 1.353(9) . ?
C21 N4 1.343(9) . ?
C21 N2 1.388(9) . ?
C21 C22 1.483(10) . ?
C22 C23 1.385(10) . ?
C22 C26 1.419(10) . ?
C23 C24 1.396(10) . ?
C23 H23A 0.9300 . ?
C24 N5 1.353(9) . ?
C24 H24A 0.9300 . ?
C25 N5 1.350(9) . ?
C25 C26 1.388(11) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
N3 N4 1.381(8) . ?
N3 H3 0.8099 . ?
N5 Mn1 2.333(6) 2_655 ?
O2 Mn1 2.213(5) 3_756 ?
O3 Mn1 2.158(5) 3_756 ?
O4 Mn1 2.194(5) 1_655 ?
O5 H5A 0.8529 . ?
O5 H5B 0.8499 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 C1 C2 C7 44.1(10) . .
O1 C1 C2 C7 -138.0(7) . .
O2 C1 C2 C3 -131.9(8) . .
O1 C1 C2 C3 46.0(10) . .
C7 C2 C3 C4 -0.4(12) . .
C1 C2 C3 C4 175.7(7) . .
C2 C3 C4 C5 -0.4(13) . .
C3 C4 C5 C6 1.7(14) . .
C4 C5 C6 C7 -2.2(13) . .
C3 C2 C7 C6 -0.1(11) . .
C1 C2 C7 C6 -176.1(7) . .
C3 C2 C7 C8 -171.5(7) . .
C1 C2 C7 C8 12.5(11) . .
C5 C6 C7 C2 1.4(12) . .
C5 C6 C7 C8 173.2(8) . .
C2 C7 C8 C9 69.8(10) . .
C6 C7 C8 C9 -101.7(9) . .
C2 C7 C8 C13 -116.4(8) . .
C6 C7 C8 C13 72.1(9) . .
C13 C8 C9 C10 -3.2(12) . .
C7 C8 C9 C10 170.8(8) . .
C8 C9 C10 C11 -0.2(14) . .
C9 C10 C11 C12 1.4(14) . .
C10 C11 C12 C13 0.7(14) . .
C11 C12 C13 C8 -4.1(12) . .
C11 C12 C13 C14 173.1(8) . .
C9 C8 C13 C12 5.2(11) . .
C7 C8 C13 C12 -168.6(7) . .
C9 C8 C13 C14 -171.8(7) . .
C7 C8 C13 C14 14.4(11) . .
C12 C13 C14 O4 31.8(10) . .
C8 C13 C14 O4 -151.2(7) . .
C12 C13 C14 O3 -147.1(7) . .
C8 C13 C14 O3 30.0(10) . .
N1 C15 C16 C17 -3.1(13) . .
C15 C16 C17 C18 2.5(13) . .
C16 C17 C18 C19 -0.1(12) . .
C16 C17 C18 C20 -177.6(8) . .
C17 C18 C19 N1 -2.0(12) . .
C20 C18 C19 N1 175.6(7) . .
C17 C18 C20 N3 -35.6(12) . .
C19 C18 C20 N3 146.9(8) . .
C17 C18 C20 N2 145.6(8) . .
C19 C18 C20 N2 -31.9(11) . .
N4 C21 C22 C23 177.3(8) . .
N2 C21 C22 C23 -6.3(12) . .
N4 C21 C22 C26 -2.6(12) . .
N2 C21 C22 C26 173.8(8) . .
C26 C22 C23 C24 -0.6(13) . .
C21 C22 C23 C24 179.6(8) . .
C22 C23 C24 N5 0.0(14) . .
N5 C25 C26 C22 -1.0(15) . .
C23 C22 C26 C25 1.0(13) . .
C21 C22 C26 C25 -179.1(8) . .
C16 C15 N1 C19 1.1(12) . .
C16 C15 N1 Mn1 166.7(6) . .
C18 C19 N1 C15 1.5(11) . .
C18 C19 N1 Mn1 -165.6(6) . .
O3 Mn1 N1 C15 79.2(6) 3_756 .
O4 Mn1 N1 C15 173.7(6) 1_455 .
O1 Mn1 N1 C15 -103.8(6) . .
O2 Mn1 N1 C15 -15.3(6) 3_756 .
N5 Mn1 N1 C15 -165.5(13) 2_645 .
O3 Mn1 N1 C19 -115.1(5) 3_756 .
O4 Mn1 N1 C19 -20.5(5) 1_455 .
O1 Mn1 N1 C19 61.9(5) . .
O2 Mn1 N1 C19 150.4(5) 3_756 .
N5 Mn1 N1 C19 0.2(18) 2_645 .
N3 C20 N2 C21 1.1(8) . .
C18 C20 N2 C21 -179.9(7) . .
N4 C21 N2 C20 -0.8(9) . .
C22 C21 N2 C20 -177.5(7) . .
N2 C20 N3 N4 -1.1(9) . .
C18 C20 N3 N4 180.0(7) . .
N2 C21 N4 N3 0.2(9) . .
C22 C21 N4 N3 176.9(7) . .
C20 N3 N4 C21 0.6(8) . .
C23 C24 N5 C25 0.1(12) . .
C23 C24 N5 Mn1 165.2(6) . 2_655
C26 C25 N5 C24 0.4(13) . .
C26 C25 N5 Mn1 -164.8(7) . 2_655
O2 C1 O1 Mn1 34.0(10) . .
C2 C1 O1 Mn1 -143.8(5) . .
O3 Mn1 O1 C1 -140(3) 3_756 .
O4 Mn1 O1 C1 -162.4(6) 1_455 .
O2 Mn1 O1 C1 23.2(6) 3_756 .
N5 Mn1 O1 C1 -81.1(6) 2_645 .
N1 Mn1 O1 C1 106.6(6) . .
O1 C1 O2 Mn1 -128.2(6) . 3_756
C2 C1 O2 Mn1 49.6(9) . 3_756
O4 C14 O3 Mn1 -115.7(7) . 3_756
C13 C14 O3 Mn1 63.0(8) . 3_756
O3 C14 O4 Mn1 21.6(10) . 1_655
C13 C14 O4 Mn1 -157.2(5) . 1_655
