#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/24/7222470.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_7222470
loop_
_publ_author_name
'Shao, Yongliang'
'Cui, Yanhui'
'Gu, Jinzhong'
'Kirillov, Alexander M.'
'Wu, Jiang'
'Wang, Ya-Wen'
_publ_section_title
;
 A variety of metal-organic and supramolecular networks constructed from a
 new flexible multifunctional building block bearing picolinate and
 terephthalate functionalities: hydrothermal self-assembly, structural
 features, magnetic and luminescent properties
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA16580F
_journal_year                    2015
_chemical_formula_sum            'C26 H20 Mn1.5 N3 O9'
_chemical_formula_weight         600.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-02 deposited with the CCDC.
2015-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                104.832(14)
_cell_angle_beta                 93.230(12)
_cell_angle_gamma                104.588(13)
_cell_formula_units_Z            2
_cell_length_a                   7.226(8)
_cell_length_b                   10.388(12)
_cell_length_c                   17.46(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1216(2)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8606
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_T_max  0.8614
_exptl_absorpt_correction_T_min  0.8148
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             613
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         4153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0443
_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)+(0.0702P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1206
_reflns_number_gt                3289
_reflns_number_total             4153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra16580f2.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C26 H20 Mn1.50 N3 O9'
_cod_database_code               7222470
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mn1 Mn 0.42742(6) 0.31175(5) 0.20567(3) 0.02757(16) Uani 1 1 d .
Mn2 Mn 0.5000 1.5000 0.5000 0.02904(19) Uani 1 2 d S
O1 O 0.7246(3) 0.3579(2) 0.18439(13) 0.0372(5) Uani 1 1 d .
O2 O 1.0027(3) 0.5204(2) 0.20346(15) 0.0452(6) Uani 1 1 d .
O3 O 0.4786(3) 1.2175(2) 0.29491(12) 0.0372(5) Uani 1 1 d .
O4 O 0.3508(3) 1.3191(2) 0.39869(12) 0.0353(5) Uani 1 1 d .
O5 O 0.4100(3) 0.6513(2) 0.45378(12) 0.0353(5) Uani 1 1 d .
O6 O 0.1513(3) 0.6963(2) 0.50602(14) 0.0439(6) Uani 1 1 d .
O7 O 0.1430(3) 0.3137(2) 0.23092(13) 0.0407(6) Uani 1 1 d .
H1W H 0.1131 0.3755 0.2162 0.049 Uiso 1 1 d R
H2W H 0.0786 0.2887 0.2647 0.049 Uiso 1 1 d R
O8 O 0.7677(3) 1.5207(2) 0.44334(13) 0.0438(6) Uani 1 1 d .
H3W H 0.8223 1.4645 0.4519 0.053 Uiso 1 1 d R
H4W H 0.8487 1.5973 0.4666 0.053 Uiso 1 1 d R
O9 O 0.8900(4) 0.2077(3) 0.32401(17) 0.0670(8) Uani 1 1 d .
H5W H 0.9134 0.2389 0.3749 0.080 Uiso 1 1 d R
H6W H 0.8033 0.2503 0.3217 0.080 Uiso 1 1 d R
N1 N 0.5449(3) 0.5416(3) 0.25774(14) 0.0273(6) Uani 1 1 d .
N2 N 0.3494(3) 0.0982(3) 0.11549(14) 0.0305(6) Uani 1 1 d .
N3 N 0.3201(4) 0.3336(3) 0.08215(15) 0.0340(6) Uani 1 1 d .
C1 C 0.8291(4) 0.4808(3) 0.21169(18) 0.0306(7) Uani 1 1 d .
C2 C 0.7377(4) 0.5886(3) 0.25671(17) 0.0276(7) Uani 1 1 d .
C3 C 0.8386(4) 0.7233(3) 0.29291(18) 0.0323(7) Uani 1 1 d .
H3 H 0.9704 0.7528 0.2909 0.039 Uiso 1 1 calc R
C4 C 0.7437(4) 0.8155(3) 0.33257(18) 0.0333(7) Uani 1 1 d .
H4 H 0.8110 0.9073 0.3572 0.040 Uiso 1 1 calc R
C5 C 0.5459(4) 0.7693(3) 0.33526(16) 0.0258(6) Uani 1 1 d .
C6 C 0.4555(4) 0.6317(3) 0.29632(17) 0.0267(7) Uani 1 1 d .
H6 H 0.3235 0.5999 0.2971 0.032 Uiso 1 1 calc R
C7 C 0.4378(4) 0.8667(3) 0.37469(16) 0.0245(6) Uani 1 1 d .
C8 C 0.4605(4) 0.9882(3) 0.35198(17) 0.0275(7) Uani 1 1 d .
H8A H 0.5401 1.0028 0.3132 0.033 Uiso 1 1 calc R
C9 C 0.3689(4) 1.0891(3) 0.38480(17) 0.0273(7) Uani 1 1 d .
C10 C 0.2477(4) 1.0650(3) 0.44099(17) 0.0303(7) Uani 1 1 d .
H10 H 0.1847 1.1303 0.4639 0.036 Uiso 1 1 calc R
C11 C 0.2202(4) 0.9435(3) 0.46322(18) 0.0298(7) Uani 1 1 d .
H11 H 0.1364 0.9282 0.5005 0.036 Uiso 1 1 calc R
C12 C 0.3134(4) 0.8432(3) 0.43178(16) 0.0258(6) Uani 1 1 d .
C13 C 0.4017(4) 1.2204(3) 0.35874(17) 0.0291(7) Uani 1 1 d .
C14 C 0.2893(4) 0.7200(3) 0.46590(17) 0.0290(7) Uani 1 1 d .
C15 C 0.3599(5) -0.0183(3) 0.13149(19) 0.0375(8) Uani 1 1 d .
H15 H 0.4009 -0.0137 0.1838 0.045 Uiso 1 1 calc R
C16 C 0.3132(5) -0.1468(4) 0.0746(2) 0.0449(9) Uani 1 1 d .
H16 H 0.3228 -0.2254 0.0890 0.054 Uiso 1 1 calc R
C17 C 0.2532(5) -0.1558(4) -0.0026(2) 0.0413(8) Uani 1 1 d .
H17 H 0.2228 -0.2404 -0.0417 0.050 Uiso 1 1 calc R
C18 C 0.2383(4) -0.0353(4) -0.02210(19) 0.0350(8) Uani 1 1 d .
C19 C 0.2879(4) 0.0895(3) 0.03911(17) 0.0280(7) Uani 1 1 d .
C20 C 0.1736(5) -0.0371(4) -0.1010(2) 0.0438(9) Uani 1 1 d .
H20 H 0.1419 -0.1198 -0.1416 0.053 Uiso 1 1 calc R
C21 C 0.1580(5) 0.0806(4) -0.1173(2) 0.0461(9) Uani 1 1 d .
H21 H 0.1170 0.0777 -0.1693 0.055 Uiso 1 1 calc R
C22 C 0.2031(4) 0.2086(4) -0.05651(18) 0.0374(8) Uani 1 1 d .
C23 C 0.2715(4) 0.2149(3) 0.02150(17) 0.0311(7) Uani 1 1 d .
C24 C 0.1817(5) 0.3334(4) -0.0693(2) 0.0472(9) Uani 1 1 d .
H24 H 0.1357 0.3348 -0.1199 0.057 Uiso 1 1 calc R
C25 C 0.2278(6) 0.4498(4) -0.0085(2) 0.0523(10) Uani 1 1 d .
H25 H 0.2129 0.5318 -0.0168 0.063 Uiso 1 1 calc R
C26 C 0.2977(5) 0.4477(4) 0.0665(2) 0.0452(9) Uani 1 1 d .
H26 H 0.3303 0.5298 0.1077 0.054 Uiso 1 1 calc R
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
O3 Mn1 O7 94.19(9) 1_545 .
O3 Mn1 O1 92.97(9) 1_545 .
O7 Mn1 O1 167.41(9) . .
O3 Mn1 N1 107.75(11) 1_545 .
O7 Mn1 N1 93.05(9) . .
O1 Mn1 N1 74.89(9) . .
O3 Mn1 N2 88.23(13) 1_545 .
O7 Mn1 N2 97.51(9) . .
O1 Mn1 N2 93.05(9) . .
N1 Mn1 N2 160.18(9) . .
O3 Mn1 N3 159.49(10) 1_545 .
O7 Mn1 N3 83.96(10) . .
O1 Mn1 N3 92.88(10) . .
N1 Mn1 N3 92.76(10) . .
N2 Mn1 N3 71.84(11) . .
O5 Mn2 O5 180.00(10) 2_676 1_565
O5 Mn2 O8 85.70(10) 2_676 .
O5 Mn2 O8 94.30(10) 1_565 .
O5 Mn2 O8 94.30(10) 2_676 2_686
O5 Mn2 O8 85.70(10) 1_565 2_686
O8 Mn2 O8 179.999(1) . 2_686
O5 Mn2 O4 84.04(12) 2_676 .
O5 Mn2 O4 95.96(12) 1_565 .
O8 Mn2 O4 90.12(10) . .
O8 Mn2 O4 89.88(10) 2_686 .
O5 Mn2 O4 95.96(12) 2_676 2_686
O5 Mn2 O4 84.04(12) 1_565 2_686
O8 Mn2 O4 89.88(10) . 2_686
O8 Mn2 O4 90.12(10) 2_686 2_686
O4 Mn2 O4 180.00(9) . 2_686
C1 O1 Mn1 118.49(19) . .
C13 O3 Mn1 128.3(2) . 1_565
C13 O4 Mn2 132.8(2) . .
C14 O5 Mn2 138.04(19) . 1_545
Mn1 O7 H1W 109.4 . .
Mn1 O7 H2W 132.4 . .
H1W O7 H2W 113.6 . .
Mn2 O8 H3W 109.4 . .
Mn2 O8 H4W 110.3 . .
H3W O8 H4W 102.4 . .
H5W O9 H6W 92.5 . .
C6 N1 C2 117.6(3) . .
C6 N1 Mn1 128.4(2) . .
C2 N1 Mn1 113.52(19) . .
C15 N2 C19 117.3(3) . .
C15 N2 Mn1 125.5(2) . .
C19 N2 Mn1 117.2(2) . .
C26 N3 C23 117.9(3) . .
C26 N3 Mn1 126.9(2) . .
C23 N3 Mn1 115.2(2) . .
O2 C1 O1 124.5(3) . .
O2 C1 C2 117.4(3) . .
O1 C1 C2 118.0(3) . .
N1 C2 C3 122.0(3) . .
N1 C2 C1 114.6(3) . .
C3 C2 C1 123.4(3) . .
C2 C3 C4 119.7(3) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 119.4(3) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
C6 C5 C4 116.9(3) . .
C6 C5 C7 122.2(3) . .
C4 C5 C7 120.8(3) . .
N1 C6 C5 124.4(3) . .
N1 C6 H6 117.8 . .
C5 C6 H6 117.8 . .
C8 C7 C12 118.4(3) . .
C8 C7 C5 117.0(3) . .
C12 C7 C5 124.6(3) . .
C7 C8 C9 122.9(3) . .
C7 C8 H8A 118.6 . .
C9 C8 H8A 118.6 . .
C10 C9 C8 118.1(3) . .
C10 C9 C13 121.3(3) . .
C8 C9 C13 120.6(3) . .
C9 C10 C11 119.9(3) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C11 C12 122.5(3) . .
C10 C11 H11 118.8 . .
C12 C11 H11 118.8 . .
C11 C12 C7 118.2(3) . .
C11 C12 C14 118.5(3) . .
C7 C12 C14 123.1(3) . .
O4 C13 O3 125.2(3) . .
O4 C13 C9 119.4(3) . .
O3 C13 C9 115.4(3) . .
O5 C14 O6 124.7(3) . .
O5 C14 C12 117.9(3) . .
O6 C14 C12 117.4(3) . .
N2 C15 C16 123.9(3) . .
N2 C15 H15 118.1 . .
C16 C15 H15 118.1 . .
C17 C16 C15 119.0(3) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C16 C17 C18 119.0(3) . .
C16 C17 H17 120.5 . .
C18 C17 H17 120.5 . .
C19 C18 C17 118.1(3) . .
C19 C18 C20 119.8(3) . .
C17 C18 C20 122.1(3) . .
N2 C19 C18 122.7(3) . .
N2 C19 C23 117.7(3) . .
C18 C19 C23 119.5(3) . .
C21 C20 C18 120.5(3) . .
C21 C20 H20 119.7 . .
C18 C20 H20 119.7 . .
C20 C21 C22 121.3(3) . .
C20 C21 H21 119.4 . .
C22 C21 H21 119.4 . .
C23 C22 C24 116.5(3) . .
C23 C22 C21 119.7(3) . .
C24 C22 C21 123.8(3) . .
N3 C23 C22 123.0(3) . .
N3 C23 C19 117.9(3) . .
C22 C23 C19 119.1(3) . .
C25 C24 C22 119.9(3) . .
C25 C24 H24 120.0 . .
C22 C24 H24 120.0 . .
C24 C25 C26 119.9(4) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
N3 C26 C25 122.8(4) . .
N3 C26 H26 118.6 . .
C25 C26 H26 118.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.103(3) 1_545
Mn1 O7 2.130(3) .
Mn1 O1 2.154(3) .
Mn1 N1 2.243(3) .
Mn1 N2 2.280(3) .
Mn1 N3 2.336(3) .
Mn2 O5 2.157(3) 2_676
Mn2 O5 2.157(3) 1_565
Mn2 O8 2.209(3) .
Mn2 O8 2.209(3) 2_686
Mn2 O4 2.210(3) .
Mn2 O4 2.210(3) 2_686
O1 C1 1.261(4) .
O2 C1 1.247(4) .
O3 C13 1.271(4) .
O3 Mn1 2.103(3) 1_565
O4 C13 1.236(4) .
O5 C14 1.254(4) .
O5 Mn2 2.157(3) 1_545
O6 C14 1.260(4) .
O7 H1W 0.8200 .
O7 H2W 0.8245 .
O8 H3W 0.8200 .
O8 H4W 0.8456 .
O9 H5W 0.8550 .
O9 H6W 0.8574 .
N1 C6 1.333(4) .
N1 C2 1.358(4) .
N2 C15 1.329(4) .
N2 C19 1.355(4) .
N3 C26 1.329(4) .
N3 C23 1.355(4) .
C1 C2 1.512(4) .
C2 C3 1.368(5) .
C3 C4 1.382(4) .
C3 H3 0.9300 .
C4 C5 1.396(4) .
C4 H4 0.9300 .
C5 C6 1.383(4) .
C5 C7 1.487(4) .
C6 H6 0.9300 .
C7 C8 1.392(4) .
C7 C12 1.406(4) .
C8 C9 1.396(4) .
C8 H8A 0.9300 .
C9 C10 1.380(4) .
C9 C13 1.513(4) .
C10 C11 1.384(4) .
C10 H10 0.9300 .
C11 C12 1.394(4) .
C11 H11 0.9300 .
C12 C14 1.520(4) .
C15 C16 1.393(5) .
C15 H15 0.9300 .
C16 C17 1.365(5) .
C16 H16 0.9300 .
C17 C18 1.406(5) .
C17 H17 0.9300 .
C18 C19 1.402(5) .
C18 C20 1.423(5) .
C19 C23 1.443(5) .
C20 C21 1.355(5) .
C20 H20 0.9300 .
C21 C22 1.421(5) .
C21 H21 0.9300 .
C22 C23 1.402(4) .
C22 C24 1.415(5) .
C24 C25 1.342(6) .
C24 H24 0.9300 .
C25 C26 1.385(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H6W O3 0.86 2.29 3.018(5) 143.4 1_545
O9 H5W O6 0.86 2.13 2.938(5) 156.7 2_666
O8 H4W O6 0.85 2.16 2.881(4) 143.6 1_665
O7 H2W O9 0.82 1.91 2.726(4) 167.9 1_455
O7 H1W O2 0.82 1.93 2.727(4) 165.4 1_455
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
O3 Mn1 O1 C1 -103.9(2) 1_545
O7 Mn1 O1 C1 20.7(5) .
N1 Mn1 O1 C1 3.6(2) .
N2 Mn1 O1 C1 167.7(2) .
N3 Mn1 O1 C1 95.7(2) .
O5 Mn2 O4 C13 -45.9(3) 2_676
O5 Mn2 O4 C13 134.1(3) 1_565
O8 Mn2 O4 C13 39.8(3) .
O8 Mn2 O4 C13 -140.2(3) 2_686
O4 Mn2 O4 C13 -151(50) 2_686
O3 Mn1 N1 C6 -89.5(2) 1_545
O7 Mn1 N1 C6 5.9(2) .
O1 Mn1 N1 C6 -177.8(3) .
N2 Mn1 N1 C6 128.1(3) .
N3 Mn1 N1 C6 90.0(2) .
O3 Mn1 N1 C2 82.3(2) 1_545
O7 Mn1 N1 C2 177.68(19) .
O1 Mn1 N1 C2 -5.99(18) .
N2 Mn1 N1 C2 -60.1(3) .
N3 Mn1 N1 C2 -98.2(2) .
O3 Mn1 N2 C15 -3.7(2) 1_545
O7 Mn1 N2 C15 -97.6(2) .
O1 Mn1 N2 C15 89.2(2) .
N1 Mn1 N2 C15 140.8(3) .
N3 Mn1 N2 C15 -178.7(3) .
O3 Mn1 N2 C19 176.7(2) 1_545
O7 Mn1 N2 C19 82.7(2) .
O1 Mn1 N2 C19 -90.4(2) .
N1 Mn1 N2 C19 -38.9(4) .
N3 Mn1 N2 C19 1.60(18) .
O3 Mn1 N3 C26 162.7(3) 1_545
O7 Mn1 N3 C26 76.9(3) .
O1 Mn1 N3 C26 -90.9(3) .
N1 Mn1 N3 C26 -15.9(3) .
N2 Mn1 N3 C26 176.8(3) .
O3 Mn1 N3 C23 -15.4(4) 1_545
O7 Mn1 N3 C23 -101.2(2) .
O1 Mn1 N3 C23 91.0(2) .
N1 Mn1 N3 C23 166.0(2) .
N2 Mn1 N3 C23 -1.27(19) .
Mn1 O1 C1 O2 179.9(2) .
Mn1 O1 C1 C2 -0.9(3) .
C6 N1 C2 C3 -0.7(4) .
Mn1 N1 C2 C3 -173.4(2) .
C6 N1 C2 C1 -179.8(2) .
Mn1 N1 C2 C1 7.4(3) .
O2 C1 C2 N1 174.6(3) .
O1 C1 C2 N1 -4.7(4) .
O2 C1 C2 C3 -4.6(4) .
O1 C1 C2 C3 176.2(3) .
N1 C2 C3 C4 0.6(5) .
C1 C2 C3 C4 179.7(3) .
C2 C3 C4 C5 0.2(4) .
C3 C4 C5 C6 -0.8(4) .
C3 C4 C5 C7 -177.6(3) .
C2 N1 C6 C5 0.0(4) .
Mn1 N1 C6 C5 171.5(2) .
C4 C5 C6 N1 0.8(4) .
C7 C5 C6 N1 177.5(3) .
C6 C5 C7 C8 -125.5(3) .
C4 C5 C7 C8 51.2(4) .
C6 C5 C7 C12 53.5(4) .
C4 C5 C7 C12 -129.9(3) .
C12 C7 C8 C9 1.6(4) .
C5 C7 C8 C9 -179.4(3) .
C7 C8 C9 C10 -1.4(4) .
C7 C8 C9 C13 179.0(3) .
C8 C9 C10 C11 0.0(4) .
C13 C9 C10 C11 179.7(3) .
C9 C10 C11 C12 1.1(4) .
C10 C11 C12 C7 -0.8(4) .
C10 C11 C12 C14 174.0(3) .
C8 C7 C12 C11 -0.5(4) .
C5 C7 C12 C11 -179.4(3) .
C8 C7 C12 C14 -175.1(3) .
C5 C7 C12 C14 6.0(4) .
Mn2 O4 C13 O3 -90.7(3) .
Mn2 O4 C13 C9 90.6(3) .
Mn1 O3 C13 O4 -33.7(4) 1_565
Mn1 O3 C13 C9 145.0(2) 1_565
C10 C9 C13 O4 14.3(4) .
C8 C9 C13 O4 -166.0(3) .
C10 C9 C13 O3 -164.5(3) .
C8 C9 C13 O3 15.1(4) .
Mn2 O5 C14 O6 -13.7(5) 1_545
Mn2 O5 C14 C12 164.6(2) 1_545
C11 C12 C14 O5 -161.2(3) .
C7 C12 C14 O5 13.3(4) .
C11 C12 C14 O6 17.2(4) .
C7 C12 C14 O6 -168.3(3) .
C19 N2 C15 C16 0.5(5) .
Mn1 N2 C15 C16 -179.2(2) .
N2 C15 C16 C17 0.2(5) .
C15 C16 C17 C18 -0.8(5) .
C16 C17 C18 C19 0.6(5) .
C16 C17 C18 C20 -178.9(3) .
C15 N2 C19 C18 -0.6(4) .
Mn1 N2 C19 C18 179.1(2) .
C15 N2 C19 C23 178.5(3) .
Mn1 N2 C19 C23 -1.8(3) .
C17 C18 C19 N2 0.1(4) .
C20 C18 C19 N2 179.6(3) .
C17 C18 C19 C23 -179.1(3) .
C20 C18 C19 C23 0.5(4) .
C19 C18 C20 C21 -0.6(5) .
C17 C18 C20 C21 178.9(3) .
C18 C20 C21 C22 -0.7(5) .
C20 C21 C22 C23 2.2(5) .
C20 C21 C22 C24 -177.2(3) .
C26 N3 C23 C22 1.3(4) .
Mn1 N3 C23 C22 179.6(2) .
C26 N3 C23 C19 -177.4(3) .
Mn1 N3 C23 C19 0.9(3) .
C24 C22 C23 N3 -1.5(4) .
C21 C22 C23 N3 179.0(3) .
C24 C22 C23 C19 177.2(3) .
C21 C22 C23 C19 -2.3(4) .
N2 C19 C23 N3 0.6(4) .
C18 C19 C23 N3 179.8(3) .
N2 C19 C23 C22 -178.2(2) .
C18 C19 C23 C22 1.0(4) .
C23 C22 C24 C25 0.6(5) .
C21 C22 C24 C25 -180.0(3) .
C22 C24 C25 C26 0.5(6) .
C23 N3 C26 C25 -0.1(5) .
Mn1 N3 C26 C25 -178.2(3) .
C24 C25 C26 N3 -0.8(6) .
