#------------------------------------------------------------------------------
#$Date: 2020-06-16 04:22:02 +0300 (Tue, 16 Jun 2020) $
#$Revision: 253164 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/07/7240715.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_7240715
loop_
_publ_author_name
'wang, junjie'
'Wu, Fei-Fan'
'Su, Ning'
'Li, Pan-Pan'
'Wang, Si-Yin'
'Ma, Huiyan'
'Li, Yun-Wu'
'Yu, Mei-Hui'
_publ_section_title
;
 Luminescent coordination polymers constructed from mixed-ligand strategy
 for highly selective luminescence sensing of nitrobenzene, Fe3+ and
 Cr2O72- ions and photodegradation of rhodamine B
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00677G
_journal_year                    2020
_chemical_formula_sum            'C26 H18 Mn N6 O4'
_chemical_formula_weight         533.40
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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
_audit_update_record
;
2017-09-06 deposited with the CCDC.	2020-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.202(5)
_cell_length_b                   10.079(2)
_cell_length_c                   20.756(4)
_cell_measurement_reflns_used    5425
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.22
_cell_volume                     4616.8(18)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20371
_diffrn_reflns_theta_full        28.39
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.620
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_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          0.1450
_refine_ls_wR_factor_ref         0.1571
_reflns_number_gt                4427
_reflns_number_total             5737
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            d0ce00677g2.cif
_cod_data_source_block           1_CCDC3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        4616.9(16)
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               7240715
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
Mn1 Mn 0.970151(15) 0.15485(3) 0.551099(15) 0.02455(13) Uani 1 1 d . . .
O1 O 0.96449(7) 0.37528(18) 0.55221(7) 0.0346(4) Uani 1 1 d . . .
O2 O 1.04448(7) 0.28536(16) 0.62427(8) 0.0319(4) Uani 1 1 d . . .
O3 O 1.00424(9) 0.98758(16) 0.61160(8) 0.0383(4) Uani 1 1 d . . .
O4 O 0.97580(8) 0.86464(17) 0.51815(8) 0.0329(4) Uani 1 1 d . . .
N1 N 1.11812(12) 0.6714(2) 0.79597(10) 0.0506(7) Uani 1 1 d . . .
H1A H 1.1322 0.6025 0.8201 0.061 Uiso 1 1 calc R . .
H1B H 1.1270 0.7494 0.8129 0.061 Uiso 1 1 calc R . .
N2 N 0.88703(9) 0.15704(19) 0.45632(9) 0.0276(4) Uani 1 1 d . . .
N3 N 0.59235(10) 0.3301(2) 0.38039(10) 0.0344(5) Uani 1 1 d . . .
N4 N 0.69933(11) 0.0772(3) -0.05108(10) 0.0493(6) Uani 1 1 d . . .
N5 N 0.76396(9) 0.1356(2) 0.20533(9) 0.0293(4) Uani 1 1 d . . .
N6 N 0.66860(8) 0.20491(19) 0.17828(8) 0.0231(4) Uani 1 1 d . . .
H6A H 0.6323 0.2249 0.1541 0.028 Uiso 1 1 calc R . .
C1 C 1.01174(10) 0.3859(2) 0.60161(10) 0.0253(5) Uani 1 1 d . . .
C2 C 1.02830(10) 0.5193(2) 0.63356(10) 0.0255(5) Uani 1 1 d . . .
C3 C 1.00616(10) 0.6317(2) 0.59517(10) 0.0254(5) Uani 1 1 d . . .
H3A H 0.9819 0.6234 0.5504 0.030 Uiso 1 1 calc R . .
C4 C 1.02049(10) 0.7567(2) 0.62415(10) 0.0261(5) Uani 1 1 d . . .
C5 C 1.05670(11) 0.7688(2) 0.69067(11) 0.0304(5) Uani 1 1 d . . .
H5A H 1.0651 0.8527 0.7100 0.036 Uiso 1 1 calc R . .
C6 C 1.08088(12) 0.6567(2) 0.72945(11) 0.0309(5) Uani 1 1 d . . .
C7 C 1.06547(11) 0.5317(2) 0.70024(10) 0.0290(5) Uani 1 1 d . . .
H7A H 1.0802 0.4560 0.7256 0.035 Uiso 1 1 calc R . .
C8 C 0.99806(10) 0.8773(2) 0.58170(11) 0.0274(5) Uani 1 1 d . . .
C9 C 0.86808(10) 0.0477(2) 0.41945(10) 0.0299(5) Uani 1 1 d . . .
H9A H 0.8850 -0.0333 0.4370 0.036 Uiso 1 1 calc R . .
C10 C 0.82468(10) 0.0491(2) 0.35655(11) 0.0303(5) Uani 1 1 d . . .
H10A H 0.8134 -0.0293 0.3323 0.036 Uiso 1 1 calc R . .
C11 C 0.79812(10) 0.1683(2) 0.32983(10) 0.0258(5) Uani 1 1 d . . .
C12 C 0.81707(10) 0.2823(2) 0.36815(10) 0.0290(5) Uani 1 1 d . . .
H12A H 0.8000 0.3641 0.3523 0.035 Uiso 1 1 calc R . .
C13 C 0.86158(11) 0.2726(2) 0.43025(10) 0.0293(5) Uani 1 1 d . . .
H13A H 0.8745 0.3498 0.4551 0.035 Uiso 1 1 calc R . .
C14 C 0.75150(10) 0.1742(2) 0.26282(10) 0.0252(5) Uani 1 1 d . . .
C15 C 0.69243(10) 0.2171(2) 0.24752(9) 0.0239(4) Uani 1 1 d . . .
C16 C 0.65746(9) 0.2590(2) 0.29163(10) 0.0241(5) Uani 1 1 d . . .
C17 C 0.67056(11) 0.2036(3) 0.35635(11) 0.0349(6) Uani 1 1 d . . .
H17A H 0.7015 0.1416 0.3712 0.042 Uiso 1 1 calc R . .
C18 C 0.63765(12) 0.2412(3) 0.39748(11) 0.0395(6) Uani 1 1 d . . .
H18A H 0.6472 0.2027 0.4402 0.047 Uiso 1 1 calc R . .
C19 C 0.58006(11) 0.3832(3) 0.31837(11) 0.0365(6) Uani 1 1 d . . .
H19A H 0.5494 0.4464 0.3054 0.044 Uiso 1 1 calc R . .
C20 C 0.61016(11) 0.3498(2) 0.27246(11) 0.0329(6) Uani 1 1 d . . .
H20A H 0.5989 0.3876 0.2295 0.040 Uiso 1 1 calc R . .
C21 C 0.71312(10) 0.1554(2) 0.15545(10) 0.0256(5) Uani 1 1 d . . .
C22 C 0.70688(10) 0.1288(2) 0.08388(10) 0.0273(5) Uani 1 1 d . . .
C23 C 0.65507(12) 0.1608(3) 0.03160(11) 0.0380(6) Uani 1 1 d . . .
H23A H 0.6219 0.1994 0.0404 0.046 Uiso 1 1 calc R . .
C24 C 0.65422(14) 0.1334(3) -0.03428(12) 0.0497(8) Uani 1 1 d . . .
H24A H 0.6195 0.1561 -0.0692 0.060 Uiso 1 1 calc R . .
C25 C 0.74826(14) 0.0473(4) -0.00003(13) 0.0527(8) Uani 1 1 d . . .
H25A H 0.7807 0.0083 -0.0102 0.063 Uiso 1 1 calc R . .
C26 C 0.75401(12) 0.0706(3) 0.06746(11) 0.0435(7) Uani 1 1 d . . .
H26A H 0.7893 0.0470 0.1012 0.052 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
_geom_angle_publ_flag
O3 Mn1 O4 97.70(6) 1_545 5_766 ?
O3 Mn1 O1 143.67(6) 1_545 . ?
O4 Mn1 O1 98.27(6) 5_766 . ?
O3 Mn1 N2 125.57(7) 1_545 . ?
O4 Mn1 N2 86.45(7) 5_766 . ?
O1 Mn1 N2 87.85(6) . . ?
O3 Mn1 O2 89.83(7) 1_545 . ?
O4 Mn1 O2 91.14(6) 5_766 . ?
O1 Mn1 O2 57.47(5) . . ?
N2 Mn1 O2 144.53(7) . . ?
O3 Mn1 N3 82.99(7) 1_545 7_656 ?
O4 Mn1 N3 176.47(7) 5_766 7_656 ?
O1 Mn1 N3 83.05(7) . 7_656 ?
N2 Mn1 N3 90.33(7) . 7_656 ?
O2 Mn1 N3 92.32(7) . 7_656 ?
O3 Mn1 C1 116.75(7) 1_545 . ?
O4 Mn1 C1 97.35(7) 5_766 . ?
O1 Mn1 C1 28.61(6) . . ?
N2 Mn1 C1 116.40(7) . . ?
O2 Mn1 C1 28.98(6) . . ?
N3 Mn1 C1 85.39(7) 7_656 . ?
C1 O1 Mn1 93.11(14) . . ?
C1 O2 Mn1 88.35(13) . . ?
C8 O3 Mn1 116.62(14) . 1_565 ?
C8 O4 Mn1 124.14(15) . 5_766 ?
C6 N1 H1A 120.0 . . ?
C6 N1 H1B 120.0 . . ?
H1A N1 H1B 120.0 . . ?
C9 N2 C13 117.30(18) . . ?
C9 N2 Mn1 121.66(14) . . ?
C13 N2 Mn1 120.25(14) . . ?
C19 N3 C18 115.9(2) . . ?
C19 N3 Mn1 124.92(17) . 7_656 ?
C18 N3 Mn1 117.79(16) . 7_656 ?
C25 N4 C24 115.9(2) . . ?
C21 N5 C14 105.20(19) . . ?
C21 N6 C15 107.06(17) . . ?
C21 N6 H6A 126.5 . . ?
C15 N6 H6A 126.5 . . ?
O1 C1 O2 120.6(2) . . ?
O1 C1 C2 118.7(2) . . ?
O2 C1 C2 120.79(18) . . ?
O1 C1 Mn1 58.28(12) . . ?
O2 C1 Mn1 62.67(12) . . ?
C2 C1 Mn1 172.43(17) . . ?
C3 C2 C7 120.2(2) . . ?
C3 C2 C1 118.67(17) . . ?
C7 C2 C1 121.15(19) . . ?
C2 C3 C4 119.58(19) . . ?
C2 C3 H3A 120.2 . . ?
C4 C3 H3A 120.2 . . ?
C5 C4 C3 120.14(19) . . ?
C5 C4 C8 120.6(2) . . ?
C3 C4 C8 119.18(19) . . ?
C4 C5 C6 121.0(2) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
N1 C6 C7 121.6(2) . . ?
N1 C6 C5 120.0(2) . . ?
C7 C6 C5 118.4(2) . . ?
C2 C7 C6 120.7(2) . . ?
C2 C7 H7A 119.7 . . ?
C6 C7 H7A 119.7 . . ?
O3 C8 O4 123.4(2) . . ?
O3 C8 C4 117.43(19) . . ?
O4 C8 C4 119.1(2) . . ?
N2 C9 C10 123.3(2) . . ?
N2 C9 H9A 118.4 . . ?
C10 C9 H9A 118.4 . . ?
C9 C10 C11 119.4(2) . . ?
C9 C10 H10A 120.3 . . ?
C11 C10 H10A 120.3 . . ?
C10 C11 C12 117.68(19) . . ?
C10 C11 C14 121.20(19) . . ?
C12 C11 C14 121.11(19) . . ?
C13 C12 C11 119.3(2) . . ?
C13 C12 H12A 120.4 . . ?
C11 C12 H12A 120.4 . . ?
N2 C13 C12 123.1(2) . . ?
N2 C13 H13A 118.5 . . ?
C12 C13 H13A 118.5 . . ?
N5 C14 C15 110.57(17) . . ?
N5 C14 C11 121.3(2) . . ?
C15 C14 C11 128.13(19) . . ?
N6 C15 C14 105.26(18) . . ?
N6 C15 C16 123.93(19) . . ?
C14 C15 C16 130.68(18) . . ?
C20 C16 C17 117.1(2) . . ?
C20 C16 C15 123.60(19) . . ?
C17 C16 C15 119.2(2) . . ?
C18 C17 C16 119.5(2) . . ?
C18 C17 H17A 120.2 . . ?
C16 C17 H17A 120.2 . . ?
N3 C18 C17 124.3(2) . . ?
N3 C18 H18A 117.8 . . ?
C17 C18 H18A 117.8 . . ?
N3 C19 C20 124.1(2) . . ?
N3 C19 H19A 118.0 . . ?
C20 C19 H19A 118.0 . . ?
C19 C20 C16 119.0(2) . . ?
C19 C20 H20A 120.5 . . ?
C16 C20 H20A 120.5 . . ?
N5 C21 N6 111.91(18) . . ?
N5 C21 C22 123.3(2) . . ?
N6 C21 C22 124.80(19) . . ?
C26 C22 C23 118.0(2) . . ?
C26 C22 C21 119.4(2) . . ?
C23 C22 C21 122.6(2) . . ?
C22 C23 C24 118.0(3) . . ?
C22 C23 H23A 121.0 . . ?
C24 C23 H23A 121.0 . . ?
N4 C24 C23 124.8(3) . . ?
N4 C24 H24A 117.6 . . ?
C23 C24 H24A 117.6 . . ?
N4 C25 C26 124.1(3) . . ?
N4 C25 H25A 117.9 . . ?
C26 C25 H25A 117.9 . . ?
C22 C26 C25 119.2(2) . . ?
C22 C26 H26A 120.4 . . ?
C25 C26 H26A 120.4 . . ?
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 2.1051(16) 1_545 ?
Mn1 O4 2.1885(19) 5_766 ?
Mn1 O1 2.2261(19) . ?
Mn1 N2 2.2909(19) . ?
Mn1 O2 2.3226(17) . ?
Mn1 N3 2.328(2) 7_656 ?
Mn1 C1 2.613(2) . ?
O1 C1 1.253(2) . ?
O2 C1 1.267(3) . ?
O3 C8 1.259(3) . ?
O3 Mn1 2.1051(16) 1_565 ?
O4 C8 1.266(3) . ?
O4 Mn1 2.1885(19) 5_766 ?
N1 C6 1.392(3) . ?
N1 H1A 0.8600 . ?
N1 H1B 0.8600 . ?
N2 C9 1.336(3) . ?
N2 C13 1.342(3) . ?
N3 C19 1.341(3) . ?
N3 C18 1.343(3) . ?
N3 Mn1 2.328(2) 7_656 ?
N4 C25 1.326(4) . ?
N4 C24 1.328(4) . ?
N5 C21 1.323(3) . ?
N5 C14 1.368(3) . ?
N6 C21 1.358(3) . ?
N6 C15 1.377(2) . ?
N6 H6A 0.8600 . ?
C1 C2 1.496(3) . ?
C2 C3 1.389(3) . ?
C2 C7 1.392(3) . ?
C3 C4 1.392(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.382(3) . ?
C4 C8 1.498(3) . ?
C5 C6 1.400(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.396(3) . ?
C7 H7A 0.9300 . ?
C9 C10 1.381(3) . ?
C9 H9A 0.9300 . ?
C10 C11 1.386(3) . ?
C10 H10A 0.9300 . ?
C11 C12 1.389(3) . ?
C11 C14 1.476(3) . ?
C12 C13 1.384(3) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.377(3) . ?
C15 C16 1.461(3) . ?
C16 C20 1.390(3) . ?
C16 C17 1.399(3) . ?
C17 C18 1.363(3) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.386(3) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.472(3) . ?
C22 C26 1.374(4) . ?
C22 C23 1.386(3) . ?
C23 C24 1.389(3) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.386(3) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Mn1 O1 C1 25.0(2) 1_545 . . . ?
O4 Mn1 O1 C1 -90.19(14) 5_766 . . . ?
N2 Mn1 O1 C1 -176.29(14) . . . . ?
O2 Mn1 O1 C1 -4.14(13) . . . . ?
N3 Mn1 O1 C1 93.11(14) 7_656 . . . ?
O3 Mn1 O2 C1 -159.12(14) 1_545 . . . ?
O4 Mn1 O2 C1 103.19(13) 5_766 . . . ?
O1 Mn1 O2 C1 4.09(12) . . . . ?
N2 Mn1 O2 C1 17.7(2) . . . . ?
N3 Mn1 O2 C1 -76.14(14) 7_656 . . . ?
O3 Mn1 N2 C9 -25.0(2) 1_545 . . . ?
O4 Mn1 N2 C9 71.90(18) 5_766 . . . ?
O1 Mn1 N2 C9 170.33(18) . . . . ?
O2 Mn1 N2 C9 158.89(16) . . . . ?
N3 Mn1 N2 C9 -106.63(18) 7_656 . . . ?
C1 Mn1 N2 C9 168.35(17) . . . . ?
O3 Mn1 N2 C13 165.46(16) 1_545 . . . ?
O4 Mn1 N2 C13 -97.61(18) 5_766 . . . ?
O1 Mn1 N2 C13 0.82(18) . . . . ?
O2 Mn1 N2 C13 -10.6(2) . . . . ?
N3 Mn1 N2 C13 83.86(18) 7_656 . . . ?
C1 Mn1 N2 C13 -1.2(2) . . . . ?
Mn1 O1 C1 O2 7.5(2) . . . . ?
Mn1 O1 C1 C2 -171.99(18) . . . . ?
Mn1 O2 C1 O1 -7.1(2) . . . . ?
Mn1 O2 C1 C2 172.3(2) . . . . ?
O3 Mn1 C1 O1 -163.70(13) 1_545 . . . ?
O4 Mn1 C1 O1 93.81(14) 5_766 . . . ?
N2 Mn1 C1 O1 4.14(16) . . . . ?
O2 Mn1 C1 O1 172.8(2) . . . . ?
N3 Mn1 C1 O1 -83.94(14) 7_656 . . . ?
O3 Mn1 C1 O2 23.53(16) 1_545 . . . ?
O4 Mn1 C1 O2 -78.97(13) 5_766 . . . ?
O1 Mn1 C1 O2 -172.8(2) . . . . ?
N2 Mn1 C1 O2 -168.64(13) . . . . ?
N3 Mn1 C1 O2 103.28(14) 7_656 . . . ?
O3 Mn1 C1 C2 -95.5(11) 1_545 . . . ?
O4 Mn1 C1 C2 162.0(11) 5_766 . . . ?
O1 Mn1 C1 C2 68.2(11) . . . . ?
N2 Mn1 C1 C2 72.3(11) . . . . ?
O2 Mn1 C1 C2 -119.0(11) . . . . ?
N3 Mn1 C1 C2 -15.7(11) 7_656 . . . ?
O1 C1 C2 C3 -23.7(3) . . . . ?
O2 C1 C2 C3 156.9(2) . . . . ?
Mn1 C1 C2 C3 -87.9(11) . . . . ?
O1 C1 C2 C7 156.8(2) . . . . ?
O2 C1 C2 C7 -22.7(3) . . . . ?
Mn1 C1 C2 C7 92.6(11) . . . . ?
C7 C2 C3 C4 -1.1(4) . . . . ?
C1 C2 C3 C4 179.3(2) . . . . ?
C2 C3 C4 C5 0.2(4) . . . . ?
C2 C3 C4 C8 178.0(2) . . . . ?
C3 C4 C5 C6 1.7(4) . . . . ?
C8 C4 C5 C6 -176.1(2) . . . . ?
C4 C5 C6 N1 178.9(2) . . . . ?
C4 C5 C6 C7 -2.7(4) . . . . ?
C3 C2 C7 C6 0.1(4) . . . . ?
C1 C2 C7 C6 179.7(2) . . . . ?
N1 C6 C7 C2 -179.8(2) . . . . ?
C5 C6 C7 C2 1.7(4) . . . . ?
Mn1 O3 C8 O4 3.9(3) 1_565 . . . ?
Mn1 O3 C8 C4 -178.36(15) 1_565 . . . ?
Mn1 O4 C8 O3 97.7(3) 5_766 . . . ?
Mn1 O4 C8 C4 -80.0(2) 5_766 . . . ?
C5 C4 C8 O3 -12.2(4) . . . . ?
C3 C4 C8 O3 170.0(2) . . . . ?
C5 C4 C8 O4 165.7(2) . . . . ?
C3 C4 C8 O4 -12.1(3) . . . . ?
C13 N2 C9 C10 0.7(4) . . . . ?
Mn1 N2 C9 C10 -169.15(18) . . . . ?
N2 C9 C10 C11 -1.1(4) . . . . ?
C9 C10 C11 C12 0.4(4) . . . . ?
C9 C10 C11 C14 -179.9(2) . . . . ?
C10 C11 C12 C13 0.7(4) . . . . ?
C14 C11 C12 C13 -179.0(2) . . . . ?
C9 N2 C13 C12 0.5(4) . . . . ?
Mn1 N2 C13 C12 170.47(18) . . . . ?
C11 C12 C13 N2 -1.2(4) . . . . ?
C21 N5 C14 C15 0.4(3) . . . . ?
C21 N5 C14 C11 -179.2(2) . . . . ?
C10 C11 C14 N5 -61.0(3) . . . . ?
C12 C11 C14 N5 118.7(3) . . . . ?
C10 C11 C14 C15 119.6(3) . . . . ?
C12 C11 C14 C15 -60.7(3) . . . . ?
C21 N6 C15 C14 0.5(2) . . . . ?
C21 N6 C15 C16 -175.8(2) . . . . ?
N5 C14 C15 N6 -0.5(3) . . . . ?
C11 C14 C15 N6 178.9(2) . . . . ?
N5 C14 C15 C16 175.4(2) . . . . ?
C11 C14 C15 C16 -5.1(4) . . . . ?
N6 C15 C16 C20 -33.5(3) . . . . ?
C14 C15 C16 C20 151.2(3) . . . . ?
N6 C15 C16 C17 144.9(2) . . . . ?
C14 C15 C16 C17 -30.4(4) . . . . ?
C20 C16 C17 C18 -0.7(4) . . . . ?
C15 C16 C17 C18 -179.3(2) . . . . ?
C19 N3 C18 C17 0.0(4) . . . . ?
Mn1 N3 C18 C17 167.3(2) 7_656 . . . ?
C16 C17 C18 N3 -0.2(4) . . . . ?
C18 N3 C19 C20 1.2(4) . . . . ?
Mn1 N3 C19 C20 -165.08(19) 7_656 . . . ?
N3 C19 C20 C16 -2.1(4) . . . . ?
C17 C16 C20 C19 1.8(4) . . . . ?
C15 C16 C20 C19 -179.7(2) . . . . ?
C14 N5 C21 N6 -0.1(3) . . . . ?
C14 N5 C21 C22 178.8(2) . . . . ?
C15 N6 C21 N5 -0.3(3) . . . . ?
C15 N6 C21 C22 -179.1(2) . . . . ?
N5 C21 C22 C26 5.5(4) . . . . ?
N6 C21 C22 C26 -175.8(2) . . . . ?
N5 C21 C22 C23 -174.3(2) . . . . ?
N6 C21 C22 C23 4.5(4) . . . . ?
C26 C22 C23 C24 -0.7(4) . . . . ?
C21 C22 C23 C24 179.0(2) . . . . ?
C25 N4 C24 C23 -0.6(5) . . . . ?
C22 C23 C24 N4 0.8(5) . . . . ?
C24 N4 C25 C26 0.4(5) . . . . ?
C23 C22 C26 C25 0.6(4) . . . . ?
C21 C22 C26 C25 -179.1(3) . . . . ?
N4 C25 C26 C22 -0.4(5) . . . . ?
