#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:32:04 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/12/7231282.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_7231282
loop_
_publ_author_name
'Li, Shaodong'
'Lu, Liping'
'Zhu, Miaoli'
'Feng, Sisi'
'Su, Feng'
'Zhao, Xuefeng'
_publ_section_title
;
 Exploring the syntheses, structures, topologies, luminescence sensing and
 magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid
 tricarboxylate ligand
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              5442
_journal_paper_doi               10.1039/C8CE00947C
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C27 H16 Mn N2 O7, H2 O'
_chemical_formula_sum            'C27 H18 Mn N2 O8'
_chemical_formula_weight         553.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-05-02 deposited with the CCDC.
2018-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.25(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.557(2)
_cell_length_b                   17.598(4)
_cell_length_c                   12.593(3)
_cell_measurement_reflns_used    12272
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      48.58
_cell_measurement_theta_min      1.17
_cell_volume                     2277.3(9)
_computing_cell_refinement       'HKL 2000'
_computing_data_collection       mar555
_computing_data_reduction        'HKL 2000'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  mar555
_diffrn_measurement_method       'oscillation mode'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.720
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.915
_diffrn_reflns_number            6961
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_theta_full        25.595
_diffrn_reflns_theta_max         31.992
_diffrn_reflns_theta_min         2.008
_diffrn_source                   'synchrotron, 3W1A at BSRF'
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.915
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0869P)²+4.1707P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.1748
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5619
_reflns_number_total             6961
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00947c2.cif
_cod_data_source_block           complex1
_cod_depositor_comments
'Adding full bibliography for 7231282--7231285.cif.'
_cod_database_code               7231282
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.880
_shelx_estimated_absorpt_t_max   0.908
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Mn1 Mn 0.63389(4) 0.07401(2) 0.44683(3) 0.01860(11) Uani 1 1 d . .
O1 O 0.07645(19) 0.10780(15) 0.05048(16) 0.0328(5) Uani 1 1 d . .
O2 O 0.41287(19) -0.00320(11) -0.28544(16) 0.0259(4) Uani 1 1 d . .
O3 O 0.2120(2) -0.03297(13) -0.37039(19) 0.0330(5) Uani 1 1 d . .
O4 O 0.44705(18) 0.08513(11) 0.47999(15) 0.0235(4) Uani 1 1 d . .
O5 O 0.2906(2) -0.00006(12) 0.41809(19) 0.0331(5) Uani 1 1 d . .
O6 O 0.1374(4) 0.34047(17) 0.0889(3) 0.0752(11) Uani 1 1 d . .
H6 H 0.102649 0.368115 0.035850 0.113 Uiso 1 1 d R U
O7 O 0.0334(3) 0.2523(2) -0.0181(2) 0.0620(9) Uani 1 1 d . .
N1 N 0.6019(2) 0.17912(13) 0.33507(16) 0.0194(4) Uani 1 1 d . .
N2 N 0.74017(19) 0.17226(12) 0.54498(16) 0.0178(4) Uani 1 1 d . .
C1 C 0.3429(2) 0.06382(15) 0.4150(2) 0.0218(5) Uani 1 1 d . .
C2 C 0.2774(2) 0.11857(14) 0.3276(2) 0.0190(4) Uani 1 1 d . .
C3 C 0.2875(3) 0.19698(15) 0.3441(2) 0.0221(5) Uani 1 1 d . .
H3 H 0.333711 0.216629 0.412250 0.026 Uiso 1 1 calc R U
C4 C 0.2300(3) 0.24629(15) 0.2607(2) 0.0254(5) Uani 1 1 d . .
H4 H 0.235758 0.299582 0.272921 0.030 Uiso 1 1 calc R U
C5 C 0.1638(3) 0.21838(17) 0.1591(2) 0.0265(5) Uani 1 1 d . .
C6 C 0.1513(2) 0.14003(17) 0.1458(2) 0.0239(5) Uani 1 1 d . .
C7 C 0.2065(2) 0.09028(15) 0.2289(2) 0.0220(5) Uani 1 1 d . .
H7 H 0.195874 0.037005 0.218286 0.026 Uiso 1 1 calc R U
C8 C 0.1048(4) 0.2711(2) 0.0669(3) 0.0452(9) Uani 1 1 d . .
C9 C 0.1368(3) 0.08764(16) -0.0309(2) 0.0234(5) Uani 1 1 d . .
C10 C 0.2708(3) 0.08903(15) -0.0216(2) 0.0235(5) Uani 1 1 d . .
H10 H 0.327435 0.108414 0.042360 0.028 Uiso 1 1 calc R U
C11 C 0.0527(3) 0.06182(17) -0.1261(2) 0.0261(5) Uani 1 1 d . .
H11 H -0.038770 0.063183 -0.132987 0.031 Uiso 1 1 calc R U
C12 C 0.1034(3) 0.03428(16) -0.2102(2) 0.0262(5) Uani 1 1 d . .
H12 H 0.046218 0.015996 -0.274648 0.031 Uiso 1 1 calc R U
C13 C 0.3207(3) 0.06145(15) -0.1079(2) 0.0232(5) Uani 1 1 d . .
H13 H 0.411972 0.062229 -0.102318 0.028 Uiso 1 1 calc R U
C14 C 0.2384(3) 0.03291(15) -0.2017(2) 0.0227(5) Uani 1 1 d . .
C15 C 0.2922(3) -0.00230(15) -0.2902(2) 0.0237(5) Uani 1 1 d . .
C16 C 0.5369(3) 0.18193(17) 0.2312(2) 0.0251(5) Uani 1 1 d . .
H16 H 0.510557 0.135464 0.194313 0.030 Uiso 1 1 calc R U
C17 C 0.5053(3) 0.25014(19) 0.1736(2) 0.0286(6) Uani 1 1 d . .
H17 H 0.458729 0.249298 0.099470 0.034 Uiso 1 1 calc R U
C18 C 0.5421(3) 0.31800(18) 0.2248(2) 0.0285(6) Uani 1 1 d . .
H18 H 0.519042 0.364677 0.187469 0.034 Uiso 1 1 calc R U
C19 C 0.6153(2) 0.31746(15) 0.3344(2) 0.0224(5) Uani 1 1 d . .
C20 C 0.6420(2) 0.24586(14) 0.38609(19) 0.0182(4) Uani 1 1 d . .
C21 C 0.6656(3) 0.38507(16) 0.3928(3) 0.0277(5) Uani 1 1 d . .
H21 H 0.647636 0.433154 0.358372 0.033 Uiso 1 1 calc R U
C22 C 0.7386(3) 0.38132(16) 0.4967(2) 0.0271(5) Uani 1 1 d . .
H22 H 0.772065 0.426812 0.533168 0.032 Uiso 1 1 calc R U
C23 C 0.7661(2) 0.30971(15) 0.5525(2) 0.0211(5) Uani 1 1 d . .
C24 C 0.7177(2) 0.24212(14) 0.49759(19) 0.0172(4) Uani 1 1 d . .
C25 C 0.8402(3) 0.30325(17) 0.6610(2) 0.0253(5) Uani 1 1 d . .
H25 H 0.873202 0.347469 0.701214 0.030 Uiso 1 1 calc R U
C26 C 0.8639(2) 0.23304(17) 0.7076(2) 0.0246(5) Uani 1 1 d . .
H26 H 0.914573 0.227793 0.780052 0.029 Uiso 1 1 calc R U
C27 C 0.8120(2) 0.16851(16) 0.64666(19) 0.0208(5) Uani 1 1 d . .
H27 H 0.829159 0.119930 0.679725 0.025 Uiso 1 1 calc R U
O8 O 0.0351(5) 0.0725(4) 0.4337(6) 0.196(4) Uani 1 1 d . .
H8A H 0.077750 0.031720 0.442349 0.293 Uiso 1 1 d R U
H8B H -0.040970 0.059540 0.431879 0.293 Uiso 1 1 d R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.3400 0.7510 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
O4 Mn1 O5 95.36(8) . 3_656
O4 Mn1 O3 159.27(8) . 3_655
O5 Mn1 O3 88.29(9) 3_656 3_655
O4 Mn1 N2 100.90(8) . .
O5 Mn1 N2 89.01(8) 3_656 .
O3 Mn1 N2 99.57(8) 3_655 .
O4 Mn1 N1 91.92(8) . .
O5 Mn1 N1 161.48(8) 3_656 .
O3 Mn1 N1 90.92(9) 3_655 .
N2 Mn1 N1 72.87(8) . .
O4 Mn1 O2 101.54(8) . 3_655
O5 Mn1 O2 109.39(9) 3_656 3_655
O3 Mn1 O2 58.21(7) 3_655 3_655
N2 Mn1 O2 149.29(7) . 3_655
N1 Mn1 O2 85.68(8) . 3_655
O4 Mn1 C15 130.38(8) . 3_655
O5 Mn1 C15 100.66(9) 3_656 3_655
O3 Mn1 C15 29.32(8) 3_655 3_655
N2 Mn1 C15 125.81(8) . 3_655
N1 Mn1 C15 87.36(8) . 3_655
O2 Mn1 C15 28.90(8) 3_655 3_655
C9 O1 C6 118.6(2) . .
C15 O2 Mn1 87.45(16) . 3_655
C15 O3 Mn1 93.54(16) . 3_655
C1 O4 Mn1 123.70(17) . .
C1 O5 Mn1 118.75(18) . 3_656
C8 O6 H6 109.4 . .
C16 N1 C20 117.8(2) . .
C16 N1 Mn1 126.93(19) . .
C20 N1 Mn1 114.79(15) . .
C27 N2 C24 118.0(2) . .
C27 N2 Mn1 126.02(18) . .
C24 N2 Mn1 115.74(15) . .
O5 C1 O4 124.5(2) . .
O5 C1 C2 117.6(2) . .
O4 C1 C2 117.9(2) . .
C7 C2 C3 119.7(2) . .
C7 C2 C1 119.2(2) . .
C3 C2 C1 121.1(2) . .
C4 C3 C2 120.0(2) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.8(3) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C6 C5 C4 118.2(2) . .
C6 C5 C8 120.4(3) . .
C4 C5 C8 121.4(3) . .
C7 C6 C5 121.5(2) . .
C7 C6 O1 116.7(3) . .
C5 C6 O1 121.7(2) . .
C6 C7 C2 119.8(2) . .
C6 C7 H7 120.1 . .
C2 C7 H7 120.1 . .
O7 C8 O6 122.4(3) . .
O7 C8 C5 125.5(4) . .
O6 C8 C5 112.1(4) . .
O1 C9 C10 124.7(2) . .
O1 C9 C11 114.4(2) . .
C10 C9 C11 120.8(3) . .
C9 C10 C13 119.0(2) . .
C9 C10 H10 120.5 . .
C13 C10 H10 120.5 . .
C12 C11 C9 119.5(3) . .
C12 C11 H11 120.3 . .
C9 C11 H11 120.3 . .
C11 C12 C14 120.9(2) . .
C11 C12 H12 119.6 . .
C14 C12 H12 119.6 . .
C14 C13 C10 120.8(2) . .
C14 C13 H13 119.6 . .
C10 C13 H13 119.6 . .
C13 C14 C12 118.9(2) . .
C13 C14 C15 120.8(2) . .
C12 C14 C15 120.2(2) . .
O2 C15 O3 120.7(2) . .
O2 C15 C14 121.4(2) . .
O3 C15 C14 117.8(2) . .
O2 C15 Mn1 63.65(14) . 3_655
O3 C15 Mn1 57.13(14) . 3_655
C14 C15 Mn1 173.95(19) . 3_655
N1 C16 C17 123.2(3) . .
N1 C16 H16 118.4 . .
C17 C16 H16 118.4 . .
C18 C17 C16 119.6(2) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 119.0(3) . .
C17 C18 H18 120.5 . .
C19 C18 H18 120.5 . .
C20 C19 C18 117.3(3) . .
C20 C19 C21 119.4(2) . .
C18 C19 C21 123.2(3) . .
N1 C20 C19 123.0(2) . .
N1 C20 C24 117.5(2) . .
C19 C20 C24 119.5(2) . .
C22 C21 C19 121.0(3) . .
C22 C21 H21 119.5 . .
C19 C21 H21 119.5 . .
C21 C22 C23 121.3(3) . .
C21 C22 H22 119.4 . .
C23 C22 H22 119.4 . .
C24 C23 C25 117.6(2) . .
C24 C23 C22 119.2(2) . .
C25 C23 C22 123.2(2) . .
N2 C24 C23 122.6(2) . .
N2 C24 C20 117.8(2) . .
C23 C24 C20 119.6(2) . .
C26 C25 C23 119.6(2) . .
C26 C25 H25 120.2 . .
C23 C25 H25 120.2 . .
C25 C26 C27 119.0(2) . .
C25 C26 H26 120.5 . .
C27 C26 H26 120.5 . .
N2 C27 C26 123.3(2) . .
N2 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
H8A O8 H8B 104.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O4 2.1168(19) .
Mn1 O5 2.145(2) 3_656
Mn1 O3 2.194(2) 3_655
Mn1 N2 2.267(2) .
Mn1 N1 2.302(2) .
Mn1 O2 2.338(2) 3_655
Mn1 C15 2.607(3) 3_655
O1 C9 1.372(3) .
O1 C6 1.397(3) .
O2 C15 1.261(3) .
O3 C15 1.279(3) .
O4 C1 1.268(3) .
O5 C1 1.257(3) .
O6 C8 1.281(5) .
O6 H6 0.8401 .
O7 C8 1.205(5) .
N1 C16 1.332(3) .
N1 C20 1.359(3) .
N2 C27 1.332(3) .
N2 C24 1.363(3) .
C1 C2 1.506(3) .
C2 C7 1.388(3) .
C2 C3 1.396(4) .
C3 C4 1.389(4) .
C3 H3 0.9500 .
C4 C5 1.399(4) .
C4 H4 0.9500 .
C5 C6 1.392(4) .
C5 C8 1.505(4) .
C6 C7 1.386(4) .
C7 H7 0.9500 .
C9 C10 1.393(4) .
C9 C11 1.394(4) .
C10 C13 1.399(4) .
C10 H10 0.9500 .
C11 C12 1.379(4) .
C11 H11 0.9500 .
C12 C14 1.405(4) .
C12 H12 0.9500 .
C13 C14 1.390(4) .
C13 H13 0.9500 .
C14 C15 1.497(4) .
C16 C17 1.403(4) .
C16 H16 0.9500 .
C17 C18 1.370(5) .
C17 H17 0.9500 .
C18 C19 1.419(4) .
C18 H18 0.9500 .
C19 C20 1.416(3) .
C19 C21 1.435(4) .
C20 C24 1.449(3) .
C21 C22 1.359(4) .
C21 H21 0.9500 .
C22 C23 1.440(4) .
C22 H22 0.9500 .
C23 C24 1.412(3) .
C23 C25 1.415(4) .
C25 C26 1.366(4) .
C25 H25 0.9500 .
C26 C27 1.409(4) .
C26 H26 0.9500 .
C27 H27 0.9500 .
O8 H8A 0.8412 .
O8 H8B 0.8305 .
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
O8 H8B O3 0.83 1.85 2.641(5) 157.6 3
O8 H8A O5 0.84 2.40 3.031(6) 132.1 .
C27 H27 O5 0.95 2.62 3.197(4) 119.7 3_656
C26 H26 O7 0.95 2.60 3.523(4) 164.1 1_656
C16 H16 O2 0.95 2.64 3.237(4) 121.4 3_655
O6 H6 O8 0.84 1.68 2.523(5) 177.0 4_565
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
Mn1 O5 C1 O4 8.2(4) 3_656
Mn1 O5 C1 C2 -172.10(17) 3_656
Mn1 O4 C1 O5 93.7(3) .
Mn1 O4 C1 C2 -86.0(3) .
O5 C1 C2 C7 -30.1(4) .
O4 C1 C2 C7 149.7(2) .
O5 C1 C2 C3 150.4(3) .
O4 C1 C2 C3 -29.9(4) .
C7 C2 C3 C4 -1.9(4) .
C1 C2 C3 C4 177.7(2) .
C2 C3 C4 C5 -1.3(4) .
C3 C4 C5 C6 3.4(4) .
C3 C4 C5 C8 -178.0(3) .
C4 C5 C6 C7 -2.4(4) .
C8 C5 C6 C7 179.0(3) .
C4 C5 C6 O1 173.9(2) .
C8 C5 C6 O1 -4.7(4) .
C9 O1 C6 C7 -89.9(3) .
C9 O1 C6 C5 93.6(3) .
C5 C6 C7 C2 -0.7(4) .
O1 C6 C7 C2 -177.2(2) .
C3 C2 C7 C6 2.9(4) .
C1 C2 C7 C6 -176.7(2) .
C6 C5 C8 O7 8.2(5) .
C4 C5 C8 O7 -170.5(3) .
C6 C5 C8 O6 -172.9(3) .
C4 C5 C8 O6 8.4(4) .
C6 O1 C9 C10 7.5(4) .
C6 O1 C9 C11 -175.0(3) .
O1 C9 C10 C13 175.1(3) .
C11 C9 C10 C13 -2.3(4) .
O1 C9 C11 C12 -174.8(3) .
C10 C9 C11 C12 2.8(4) .
C9 C11 C12 C14 -0.9(4) .
C9 C10 C13 C14 -0.1(4) .
C10 C13 C14 C12 1.9(4) .
C10 C13 C14 C15 -175.1(2) .
C11 C12 C14 C13 -1.5(4) .
C11 C12 C14 C15 175.6(3) .
Mn1 O2 C15 O3 -2.4(3) 3_655
Mn1 O2 C15 C14 176.2(2) 3_655
Mn1 O3 C15 O2 2.5(3) 3_655
Mn1 O3 C15 C14 -176.1(2) 3_655
C13 C14 C15 O2 -4.2(4) .
C12 C14 C15 O2 178.9(3) .
C13 C14 C15 O3 174.5(3) .
C12 C14 C15 O3 -2.5(4) .
C20 N1 C16 C17 -1.7(4) .
Mn1 N1 C16 C17 170.21(19) .
N1 C16 C17 C18 0.0(4) .
C16 C17 C18 C19 2.0(4) .
C17 C18 C19 C20 -2.3(4) .
C17 C18 C19 C21 175.8(3) .
C16 N1 C20 C19 1.4(4) .
Mn1 N1 C20 C19 -171.54(18) .
C16 N1 C20 C24 -177.3(2) .
Mn1 N1 C20 C24 9.8(3) .
C18 C19 C20 N1 0.6(4) .
C21 C19 C20 N1 -177.6(2) .
C18 C19 C20 C24 179.3(2) .
C21 C19 C20 C24 1.0(4) .
C20 C19 C21 C22 0.2(4) .
C18 C19 C21 C22 -177.9(3) .
C19 C21 C22 C23 -1.1(4) .
C21 C22 C23 C24 0.8(4) .
C21 C22 C23 C25 -179.2(3) .
C27 N2 C24 C23 -0.8(3) .
Mn1 N2 C24 C23 173.57(18) .
C27 N2 C24 C20 178.6(2) .
Mn1 N2 C24 C20 -7.0(3) .
C25 C23 C24 N2 -0.2(4) .
C22 C23 C24 N2 179.8(2) .
C25 C23 C24 C20 -179.6(2) .
C22 C23 C24 C20 0.4(3) .
N1 C20 C24 N2 -2.0(3) .
C19 C20 C24 N2 179.3(2) .
N1 C20 C24 C23 177.4(2) .
C19 C20 C24 C23 -1.3(3) .
C24 C23 C25 C26 1.1(4) .
C22 C23 C25 C26 -178.9(2) .
C23 C25 C26 C27 -1.0(4) .
C24 N2 C27 C26 1.0(4) .
Mn1 N2 C27 C26 -172.74(19) .
C25 C26 C27 N2 -0.1(4) .
