#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:18:41 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180499 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/68/7216810.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_7216810
loop_
_publ_author_name
'Yang, Yan'
'Yang, Jin'
'Du, Peng'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of metal--organic frameworks based on a semi-rigid bifunctional
 ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible
 N-donor bridging ligands
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6380
_journal_paper_doi               10.1039/c3ce42625d
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C36 H38 Mn2 N12 O10'
_chemical_formula_sum            'C36 H38 Mn2 N12 O10'
_chemical_formula_weight         908.66
_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
_cell_angle_alpha                100.966(9)
_cell_angle_beta                 110.157(11)
_cell_angle_gamma                103.494(11)
_cell_formula_units_Z            1
_cell_length_a                   8.9623(13)
_cell_length_b                   10.1747(11)
_cell_length_c                   12.1422(10)
_cell_measurement_reflns_used    2955
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1451
_cell_measurement_theta_min      3.0939
_cell_volume                     965.3(2)
_computing_cell_refinement
'CrysAlisPro(1.171.35.21) (Agilent Tech., 2012)'
_computing_data_collection
'CrysAlisPro(1.171.35.21) (Agilent Tech., 2012)'
_computing_data_reduction
'CrysAlisPro(1.171.35.21) (Agilent Tech., 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6871
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.8679
_exptl_absorpt_correction_T_min  0.8109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.275
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0328P)²+0.0340P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                3404
_reflns_number_total             4130
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce42625d3.cif
_cod_data_source_block           Compound-3
_cod_original_cell_volume        965.28(19)
_cod_database_code               7216810
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 0.16203(4) 0.36217(3) 0.01972(3) 0.02578(11) Uani 1 1 d .
C1 C 0.3820(2) 0.06533(19) 0.10827(17) 0.0247(4) Uani 1 1 d .
C2 C 0.2789(2) -0.06948(19) 0.08628(17) 0.0259(4) Uani 1 1 d .
H2 H 0.1628 -0.0904 0.0533 0.031 Uiso 1 1 calc R
C3 C 0.3489(2) -0.17397(18) 0.11350(17) 0.0236(4) Uani 1 1 d .
C4 C 0.5214(2) -0.14156(19) 0.16517(17) 0.0253(4) Uani 1 1 d .
H4 H 0.5686 -0.2122 0.1795 0.030 Uiso 1 1 calc R
C5 C 0.6239(2) -0.0037(2) 0.19551(17) 0.0246(4) Uani 1 1 d .
C6 C 0.5559(2) 0.09970(19) 0.16543(18) 0.0264(4) Uani 1 1 d .
H6 H 0.6254 0.1914 0.1831 0.032 Uiso 1 1 calc R
C7 C 0.3046(2) 0.1742(2) 0.07096(18) 0.0269(4) Uani 1 1 d .
C8 C 0.2374(2) -0.32066(19) 0.09051(17) 0.0250(4) Uani 1 1 d .
C9 C 0.8936(3) 0.1511(2) 0.34093(19) 0.0368(5) Uani 1 1 d .
H9A H 0.9849 0.1401 0.4063 0.044 Uiso 1 1 calc R
H9B H 0.8269 0.1909 0.3771 0.044 Uiso 1 1 calc R
C10 C 1.0436(3) 0.4356(2) 0.2464(2) 0.0403(5) Uani 1 1 d .
H10 H 1.0670 0.5300 0.2474 0.048 Uiso 1 1 calc R
C11 C 1.0273(3) 0.2240(2) 0.2019(2) 0.0359(5) Uani 1 1 d .
H11 H 1.0342 0.1368 0.1680 0.043 Uiso 1 1 calc R
C12 C 0.0871(3) 0.2500(2) -0.2667(2) 0.0414(6) Uani 1 1 d .
H12 H -0.0005 0.1731 -0.2753 0.050 Uiso 1 1 calc R
C13 C 0.2934(3) 0.4350(2) -0.18595(19) 0.0307(5) Uani 1 1 d .
H13 H 0.3810 0.5153 -0.1303 0.037 Uiso 1 1 calc R
C14 C 0.3374(3) 0.4585(3) -0.3757(2) 0.0470(6) Uani 1 1 d .
H14A H 0.3825 0.5602 -0.3378 0.056 Uiso 1 1 calc R
H14B H 0.2551 0.4400 -0.4584 0.056 Uiso 1 1 calc R
C15 C 0.4779(3) 0.4038(3) -0.3821(2) 0.0486(6) Uani 1 1 d .
H15A H 0.5422 0.4641 -0.4142 0.058 Uiso 1 1 calc R
H15B H 0.5524 0.4126 -0.2992 0.058 Uiso 1 1 calc R
C16 C 0.4250(4) 0.2533(3) -0.4590(2) 0.0588(7) Uani 1 1 d .
H16A H 0.3544 0.2440 -0.5431 0.071 Uiso 1 1 calc R
H16B H 0.3589 0.1920 -0.4288 0.071 Uiso 1 1 calc R
C17 C 0.5755(4) 0.2057(3) -0.4571(3) 0.0716(9) Uani 1 1 d .
H17A H 0.6381 0.2655 -0.4905 0.086 Uiso 1 1 calc R
H17B H 0.6487 0.2213 -0.3722 0.086 Uiso 1 1 calc R
C18 C 0.5340(4) 0.0526(3) -0.5273(3) 0.0763(10) Uani 1 1 d .
H18A H 0.4527 0.0342 -0.6103 0.092 Uiso 1 1 calc R
H18B H 0.6352 0.0390 -0.5327 0.092 Uiso 1 1 calc R
N1 N 0.9624(2) 0.24761(17) 0.28288(15) 0.0299(4) Uani 1 1 d .
N2 N 0.9717(3) 0.38551(19) 0.31369(18) 0.0430(5) Uani 1 1 d .
N3 N 1.0815(2) 0.34124(18) 0.17546(16) 0.0343(4) Uani 1 1 d .
N4 N 0.1902(2) 0.34660(17) -0.15709(15) 0.0311(4) Uani 1 1 d .
N5 N 0.1196(3) 0.2724(2) -0.36012(18) 0.0467(5) Uani 1 1 d .
N6 N 0.2543(2) 0.39305(19) -0.30547(16) 0.0360(4) Uani 1 1 d .
O1 O 0.39402(17) 0.30249(14) 0.11182(13) 0.0348(3) Uani 1 1 d .
O2 O 0.15144(17) 0.13519(14) 0.00094(13) 0.0321(3) Uani 1 1 d .
O3 O 0.09352(17) -0.33576(14) 0.08777(13) 0.0342(3) Uani 1 1 d .
O4 O 0.29839(17) -0.41943(13) 0.07976(13) 0.0328(3) Uani 1 1 d .
O5 O 0.79402(17) 0.01929(14) 0.25638(14) 0.0348(3) 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
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
O4 Mn1 O3 107.70(5) 1_565 2
O4 Mn1 N4 89.08(6) 1_565 .
O3 Mn1 N4 84.34(6) 2 .
O4 Mn1 O2 151.14(5) 1_565 .
O3 Mn1 O2 100.95(5) 2 .
N4 Mn1 O2 90.42(6) . .
O4 Mn1 N3 101.13(6) 1_565 1_455
O3 Mn1 N3 86.50(6) 2 1_455
N4 Mn1 N3 167.99(6) . 1_455
O2 Mn1 N3 83.70(6) . 1_455
O4 Mn1 O1 93.33(5) 1_565 .
O3 Mn1 O1 158.92(5) 2 .
N4 Mn1 O1 94.99(6) . .
O2 Mn1 O1 57.97(5) . .
N3 Mn1 O1 90.77(6) 1_455 .
O4 Mn1 C7 122.36(6) 1_565 .
O3 Mn1 C7 129.90(6) 2 .
N4 Mn1 C7 94.19(6) . .
O2 Mn1 C7 28.97(5) . .
N3 Mn1 C7 85.74(6) 1_455 .
O1 Mn1 C7 29.03(5) . .
C2 C1 C6 120.20(17) . .
C2 C1 C7 119.26(17) . .
C6 C1 C7 120.54(17) . .
C1 C2 C3 119.89(18) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C3 C2 119.86(17) . .
C4 C3 C8 119.98(16) . .
C2 C3 C8 120.13(17) . .
C3 C4 C5 119.86(17) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C6 C5 C4 120.60(18) . .
C6 C5 O5 124.37(17) . .
C4 C5 O5 115.03(16) . .
C5 C6 C1 119.31(17) . .
C5 C6 H6 120.3 . .
C1 C6 H6 120.3 . .
O2 C7 O1 121.63(17) . .
O2 C7 C1 119.11(17) . .
O1 C7 C1 119.25(18) . .
O2 C7 Mn1 60.33(9) . .
O1 C7 Mn1 61.43(10) . .
C1 C7 Mn1 175.51(14) . .
O3 C8 O4 124.52(17) . .
O3 C8 C3 118.27(17) . .
O4 C8 C3 117.16(17) . .
O5 C9 N1 111.20(17) . .
O5 C9 H9A 109.4 . .
N1 C9 H9A 109.4 . .
O5 C9 H9B 109.4 . .
N1 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
N2 C10 N3 115.43(19) . .
N2 C10 H10 122.3 . .
N3 C10 H10 122.3 . .
N1 C11 N3 110.67(18) . .
N1 C11 H11 124.7 . .
N3 C11 H11 124.7 . .
N5 C12 N4 115.1(2) . .
N5 C12 H12 122.5 . .
N4 C12 H12 122.5 . .
N4 C13 N6 110.28(19) . .
N4 C13 H13 124.9 . .
N6 C13 H13 124.9 . .
N6 C14 C15 112.43(18) . .
N6 C14 H14A 109.1 . .
C15 C14 H14A 109.1 . .
N6 C14 H14B 109.1 . .
C15 C14 H14B 109.1 . .
H14A C14 H14B 107.8 . .
C16 C15 C14 115.8(2) . .
C16 C15 H15A 108.3 . .
C14 C15 H15A 108.3 . .
C16 C15 H15B 108.3 . .
C14 C15 H15B 108.3 . .
H15A C15 H15B 107.4 . .
C15 C16 C17 112.2(2) . .
C15 C16 H16A 109.2 . .
C17 C16 H16A 109.2 . .
C15 C16 H16B 109.2 . .
C17 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
C18 C17 C16 115.8(3) . .
C18 C17 H17A 108.3 . .
C16 C17 H17A 108.3 . .
C18 C17 H17B 108.3 . .
C16 C17 H17B 108.3 . .
H17A C17 H17B 107.4 . .
C18 C18 C17 114.7(3) 2_654 .
C18 C18 H18A 108.6 2_654 .
C17 C18 H18A 108.6 . .
C18 C18 H18B 108.6 2_654 .
C17 C18 H18B 108.6 . .
H18A C18 H18B 107.6 . .
C11 N1 N2 109.96(16) . .
C11 N1 C9 129.48(18) . .
N2 N1 C9 120.52(18) . .
C10 N2 N1 101.86(17) . .
C11 N3 C10 102.08(17) . .
C11 N3 Mn1 127.43(14) . 1_655
C10 N3 Mn1 129.24(14) . 1_655
C13 N4 C12 102.70(17) . .
C13 N4 Mn1 130.15(14) . .
C12 N4 Mn1 126.64(14) . .
C12 N5 N6 102.07(18) . .
C13 N6 N5 109.87(17) . .
C13 N6 C14 128.35(19) . .
N5 N6 C14 121.77(18) . .
C7 O1 Mn1 89.53(12) . .
C7 O2 Mn1 90.70(11) . .
C8 O3 Mn1 146.78(14) . 2
C8 O4 Mn1 125.54(13) . 1_545
C5 O5 C9 118.09(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O4 2.1131(13) 1_565
Mn1 O3 2.1308(14) 2
Mn1 N4 2.2271(17) .
Mn1 O2 2.2533(13) .
Mn1 N3 2.2727(17) 1_455
Mn1 O1 2.2775(14) .
Mn1 C7 2.5932(19) .
C1 C2 1.380(3) .
C1 C6 1.394(3) .
C1 C7 1.498(3) .
C2 C3 1.391(3) .
C2 H2 0.9300 .
C3 C4 1.381(3) .
C3 C8 1.503(2) .
C4 C5 1.384(2) .
C4 H4 0.9300 .
C5 C6 1.380(3) .
C5 O5 1.384(2) .
C6 H6 0.9300 .
C7 O2 1.256(2) .
C7 O1 1.259(2) .
C8 O3 1.250(2) .
C8 O4 1.258(2) .
C9 O5 1.391(2) .
C9 N1 1.457(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.309(3) .
C10 N3 1.348(3) .
C10 H10 0.9300 .
C11 N1 1.316(3) .
C11 N3 1.321(2) .
C11 H11 0.9300 .
C12 N5 1.311(3) .
C12 N4 1.350(3) .
C12 H12 0.9300 .
C13 N4 1.320(2) .
C13 N6 1.325(3) .
C13 H13 0.9300 .
C14 N6 1.465(3) .
C14 C15 1.510(3) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.501(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.530(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.516(4) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C18 1.483(5) 2_654
C18 H18A 0.9700 .
C18 H18B 0.9700 .
N1 N2 1.356(2) .
N3 Mn1 2.2727(17) 1_655
N5 N6 1.361(3) .
O3 Mn1 2.1308(14) 2
O4 Mn1 2.1132(13) 1_545
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
C6 C1 C2 C3 -4.4(3) . .
C7 C1 C2 C3 176.06(17) . .
C1 C2 C3 C4 1.6(3) . .
C1 C2 C3 C8 179.61(17) . .
C2 C3 C4 C5 3.3(3) . .
C8 C3 C4 C5 -174.73(17) . .
C3 C4 C5 C6 -5.4(3) . .
C3 C4 C5 O5 174.61(17) . .
C4 C5 C6 C1 2.5(3) . .
O5 C5 C6 C1 -177.49(17) . .
C2 C1 C6 C5 2.4(3) . .
C7 C1 C6 C5 -178.09(17) . .
C2 C1 C7 O2 -13.0(3) . .
C6 C1 C7 O2 167.49(18) . .
C2 C1 C7 O1 166.01(18) . .
C6 C1 C7 O1 -13.5(3) . .
C2 C1 C7 Mn1 68.5(19) . .
C6 C1 C7 Mn1 -111.0(18) . .
O4 Mn1 C7 O2 -174.84(10) 1_565 .
O3 Mn1 C7 O2 2.84(14) 2 .
N4 Mn1 C7 O2 -83.28(12) . .
N3 Mn1 C7 O2 84.68(12) 1_455 .
O1 Mn1 C7 O2 -176.01(19) . .
O4 Mn1 C7 O1 1.18(14) 1_565 .
O3 Mn1 C7 O1 178.85(10) 2 .
N4 Mn1 C7 O1 92.74(12) . .
O2 Mn1 C7 O1 176.01(19) . .
N3 Mn1 C7 O1 -99.31(12) 1_455 .
O4 Mn1 C7 C1 101.2(18) 1_565 .
O3 Mn1 C7 C1 -81.1(19) 2 .
N4 Mn1 C7 C1 -167.3(18) . .
O2 Mn1 C7 C1 -84.0(18) . .
N3 Mn1 C7 C1 0.7(18) 1_455 .
O1 Mn1 C7 C1 100.0(19) . .
C4 C3 C8 O3 154.07(18) . .
C2 C3 C8 O3 -24.0(3) . .
C4 C3 C8 O4 -23.4(3) . .
C2 C3 C8 O4 158.54(17) . .
N6 C14 C15 C16 69.8(3) . .
C14 C15 C16 C17 -178.2(2) . .
C15 C16 C17 C18 177.1(2) . .
C16 C17 C18 C18 -68.8(5) . 2_654
N3 C11 N1 N2 0.0(2) . .
N3 C11 N1 C9 -177.67(18) . .
O5 C9 N1 C11 -42.5(3) . .
O5 C9 N1 N2 140.02(19) . .
N3 C10 N2 N1 -0.2(3) . .
C11 N1 N2 C10 0.1(2) . .
C9 N1 N2 C10 178.02(18) . .
N1 C11 N3 C10 -0.1(2) . .
N1 C11 N3 Mn1 -168.15(13) . 1_655
N2 C10 N3 C11 0.2(3) . .
N2 C10 N3 Mn1 167.94(15) . 1_655
N6 C13 N4 C12 -0.2(2) . .
N6 C13 N4 Mn1 -172.34(13) . .
N5 C12 N4 C13 0.1(3) . .
N5 C12 N4 Mn1 172.59(15) . .
O4 Mn1 N4 C13 16.16(17) 1_565 .
O3 Mn1 N4 C13 124.05(17) 2 .
O2 Mn1 N4 C13 -134.98(17) . .
N3 Mn1 N4 C13 164.5(2) 1_455 .
O1 Mn1 N4 C13 -77.10(17) . .
C7 Mn1 N4 C13 -106.22(17) . .
O4 Mn1 N4 C12 -154.21(17) 1_565 .
O3 Mn1 N4 C12 -46.32(17) 2 .
O2 Mn1 N4 C12 54.65(17) . .
N3 Mn1 N4 C12 -5.8(4) 1_455 .
O1 Mn1 N4 C12 112.52(17) . .
C7 Mn1 N4 C12 83.40(17) . .
N4 C12 N5 N6 0.1(3) . .
N4 C13 N6 N5 0.3(2) . .
N4 C13 N6 C14 -178.94(19) . .
C12 N5 N6 C13 -0.2(2) . .
C12 N5 N6 C14 179.1(2) . .
C15 C14 N6 C13 89.1(3) . .
C15 C14 N6 N5 -90.1(3) . .
O2 C7 O1 Mn1 4.07(19) . .
C1 C7 O1 Mn1 -174.93(16) . .
O4 Mn1 O1 C7 -179.01(12) 1_565 .
O3 Mn1 O1 C7 -2.4(2) 2 .
N4 Mn1 O1 C7 -89.64(12) . .
O2 Mn1 O1 C7 -2.28(11) . .
N3 Mn1 O1 C7 79.80(12) 1_455 .
O1 C7 O2 Mn1 -4.1(2) . .
C1 C7 O2 Mn1 174.89(15) . .
O4 Mn1 O2 C7 9.06(18) 1_565 .
O3 Mn1 O2 C7 -177.78(11) 2 .
N4 Mn1 O2 C7 97.90(12) . .
N3 Mn1 O2 C7 -92.59(12) 1_455 .
O1 Mn1 O2 C7 2.28(11) . .
O4 C8 O3 Mn1 -97.5(3) . 2
C3 C8 O3 Mn1 85.2(3) . 2
O3 C8 O4 Mn1 13.0(3) . 1_545
C3 C8 O4 Mn1 -169.69(12) . 1_545
C6 C5 O5 C9 31.7(3) . .
C4 C5 O5 C9 -148.32(17) . .
N1 C9 O5 C5 -91.0(2) . .
