#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:38:26 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195044 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/77/7227716.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_7227716
loop_
_publ_author_name
'Ye, Run-Ping'
'Zhang, Xin'
'Qin, Ye-Yan'
'Yao, Yuan-Gen'
_publ_section_title
;
 Combined influence of hydrogen bonds and π--π interactions on the
 assembly of five manganese coordination polymers with magnetic properties
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1658
_journal_paper_doi               10.1039/C7CE00004A
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C26 H17 Mn N3 O6, 2(O)'
_chemical_formula_sum            'C26 H21 Mn N3 O8'
_chemical_formula_weight         558.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-23 deposited with the CCDC.
2017-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                103.450(7)
_cell_angle_beta                 97.543(5)
_cell_angle_gamma                90.896(7)
_cell_formula_units_Z            2
_cell_length_a                   8.8593(12)
_cell_length_b                   9.9579(15)
_cell_length_c                   14.811(3)
_cell_measurement_reflns_used    2982
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5632
_cell_measurement_theta_min      2.3217
_cell_volume                     1258.3(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13173
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         2.105
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_description       piece
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.86
_exptl_crystal_size_mid          0.53
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   0.933
_exptl_transmission_factor_min   0.698
_refine_diff_density_max         1.513
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         5710
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1123P)²+1.4412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1913
_refine_ls_wR_factor_ref         0.2003
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4866
_reflns_number_total             5710
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce00004a2.cif
_cod_data_source_block           Compound-2
_cod_depositor_comments
'Adding full bibliography for 7227715--7227719.cif.'
_cod_original_cell_volume        1258.3(3)
_cod_database_code               7227716
_shelx_shelxl_version_number     2014/7
_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. 
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.65441(5) 0.87700(4) 0.65433(3) 0.03337(17) Uani 1 1 d . . . . .
O1 O 0.5725(3) 1.0535(2) 0.74986(18) 0.0512(6) Uani 1 1 d . . . . .
O1W O 0.4531(3) 0.8189(3) 0.54723(17) 0.0447(5) Uani 1 1 d . . . . .
H1WA H 0.4361 0.7289 0.5309 0.067 Uiso 1 1 d R U . . .
H1WB H 0.4653 0.8472 0.4967 0.067 Uiso 1 1 d R U . . .
O2 O 0.6255(3) 1.1109(2) 0.62328(17) 0.0454(6) Uani 1 1 d . . . . .
O2W O 0.6815(6) 1.4384(4) 0.4786(3) 0.0997(13) Uani 1 1 d . . . . .
O3 O 0.6665(4) 1.6280(3) 0.6426(2) 0.0586(7) Uani 1 1 d . . . . .
O4 O 0.5576(4) 1.7666(3) 0.7478(2) 0.0633(8) Uani 1 1 d . . . . .
O5A O 0.3069(9) 1.7008(7) 0.9728(5) 0.067(2) Uani 0.450(9) 1 d . . P A 1
O5B O 0.3035(8) 1.2641(6) 0.9714(5) 0.074(2) Uani 0.550(9) 1 d . . P A 2
N1 N 0.8986(3) 0.9109(3) 0.7296(2) 0.0453(7) Uani 1 1 d . . . . .
N2 N 0.8142(3) 0.8378(3) 0.5450(2) 0.0457(7) Uani 1 1 d . . . . .
N3 N 0.3280(3) 1.4697(3) 0.9334(2) 0.0407(6) Uani 1 1 d . . . . .
C1 C 0.5803(3) 1.1409(3) 0.7020(2) 0.0348(6) Uani 1 1 d . . . . .
C2 C 0.5336(3) 1.2855(3) 0.7413(2) 0.0320(6) Uani 1 1 d . . . . .
C3 C 0.5775(4) 1.3939(3) 0.7045(2) 0.0347(6) Uani 1 1 d . . . . .
H3 H 0.6329 1.3777 0.6542 0.042 Uiso 1 1 calc R U . . .
C4 C 0.5374(4) 1.5268(3) 0.7441(2) 0.0365(6) Uani 1 1 d . . . . .
C5 C 0.5901(4) 1.6476(3) 0.7088(2) 0.0440(7) Uani 1 1 d . . . . .
C6 C 0.4533(4) 1.5510(3) 0.8180(2) 0.0385(7) Uani 1 1 d . . . . .
H6 H 0.4255 1.6404 0.8428 0.046 Uiso 1 1 calc R U . . .
C7 C 0.4093(3) 1.4433(3) 0.8562(2) 0.0341(6) Uani 1 1 d . . . . .
C8 C 0.4514(3) 1.3100(3) 0.8170(2) 0.0335(6) Uani 1 1 d . . . . .
H8 H 0.4242 1.2368 0.8417 0.040 Uiso 1 1 calc R U . . .
C9 C 0.2801(5) 1.3660(6) 0.9765(3) 0.0640(12) Uani 1 1 d . . . . .
C10 C 0.2823(5) 1.6048(6) 0.9761(3) 0.0641(12) Uani 1 1 d . . . . .
C11 C 0.1948(5) 1.5786(8) 1.0493(3) 0.087(2) Uani 1 1 d . . . . .
C12 C 0.1193(6) 1.6706(11) 1.1120(4) 0.144(4) Uani 1 1 d . . . . .
H12 H 0.1209 1.7638 1.1113 0.173 Uiso 1 1 calc R U . . .
C13 C 0.0460(8) 1.6274(11) 1.1722(5) 0.132(3) Uani 1 1 d D U . . .
H13 H -0.0053 1.6896 1.2132 0.159 Uiso 1 1 calc R U . . .
C14 C 0.0448(7) 1.4890(11) 1.1749(4) 0.129(3) Uani 1 1 d D U . . .
H14 H -0.0065 1.4599 1.2184 0.155 Uiso 1 1 calc R U . . .
C15 C 0.1185(6) 1.3934(12) 1.1141(4) 0.138(4) Uani 1 1 d . . . . .
H15 H 0.1180 1.3004 1.1154 0.165 Uiso 1 1 calc R U . . .
C16 C 0.1936(5) 1.4438(9) 1.0507(3) 0.087(2) Uani 1 1 d . . . . .
C17 C 0.9364(5) 0.9459(5) 0.8230(3) 0.0640(11) Uani 1 1 d . . . . .
H17 H 0.8590 0.9628 0.8603 0.077 Uiso 1 1 calc R U . . .
C18 C 1.0864(6) 0.9579(6) 0.8662(3) 0.0790(15) Uani 1 1 d . . . . .
H18 H 1.1087 0.9841 0.9311 0.095 Uiso 1 1 calc R U . . .
C19 C 1.1997(6) 0.9308(6) 0.8124(4) 0.0804(15) Uani 1 1 d . . . . .
H19 H 1.3009 0.9364 0.8399 0.096 Uiso 1 1 calc R U . . .
C20 C 1.1633(5) 0.8952(6) 0.7166(4) 0.0774(15) Uani 1 1 d . . . . .
H20 H 1.2395 0.8760 0.6784 0.093 Uiso 1 1 calc R U . . .
C21 C 1.0117(4) 0.8880(5) 0.6775(3) 0.0535(9) Uani 1 1 d . . . . .
C22 C 0.9645(4) 0.8544(5) 0.5740(3) 0.0571(10) Uani 1 1 d . . . . .
C23 C 1.0688(5) 0.8410(7) 0.5102(4) 0.0895(19) Uani 1 1 d . . . . .
H23 H 1.1727 0.8538 0.5316 0.107 Uiso 1 1 calc R U . . .
C24 C 1.0177(6) 0.8088(8) 0.4149(4) 0.105(2) Uani 1 1 d . . . . .
H24 H 1.0859 0.8030 0.3716 0.126 Uiso 1 1 calc R U . . .
C25 C 0.8647(6) 0.7857(9) 0.3860(3) 0.103(2) Uani 1 1 d . . . . .
H25 H 0.8269 0.7577 0.3226 0.124 Uiso 1 1 calc R U . . .
C26 C 0.7672(4) 0.8047(6) 0.4530(3) 0.0652(12) Uani 1 1 d . . . . .
H26 H 0.6629 0.7937 0.4327 0.078 Uiso 1 1 calc R U . . .
O3W O 0.3675(7) 2.0059(9) 1.0530(3) 0.173(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
O1 Mn1 O1W 100.86(10) . .
O1 Mn1 O4 81.06(10) . 1_545
O1W Mn1 O4 91.71(11) . 1_545
O1 Mn1 N2 138.13(11) . .
O1W Mn1 N2 92.01(10) . .
O4 Mn1 N2 138.67(11) 1_545 .
O1 Mn1 N1 93.67(11) . .
O1W Mn1 N1 163.45(10) . .
O4 Mn1 N1 98.39(12) 1_545 .
N2 Mn1 N1 71.76(11) . .
O1 Mn1 O3 136.21(10) . 1_545
O1W Mn1 O3 84.74(10) . 1_545
O4 Mn1 O3 55.24(10) 1_545 1_545
N2 Mn1 O3 84.18(11) . 1_545
N1 Mn1 O3 90.26(11) . 1_545
O1 Mn1 O2 55.37(8) . .
O1W Mn1 O2 84.36(9) . .
O4 Mn1 O2 134.26(9) 1_545 .
N2 Mn1 O2 87.07(10) . .
N1 Mn1 O2 97.66(10) . .
O3 Mn1 O2 165.75(9) 1_545 .
C1 O1 Mn1 98.6(2) . .
Mn1 O1W H1WA 111.1 . .
Mn1 O1W H1WB 111.0 . .
H1WA O1W H1WB 107.9 . .
C1 O2 Mn1 84.34(18) . .
C5 O3 Mn1 86.1(2) . 1_565
C5 O4 Mn1 97.6(2) . 1_565
C21 N1 C17 117.6(3) . .
C21 N1 Mn1 117.9(2) . .
C17 N1 Mn1 124.4(3) . .
C26 N2 C22 118.0(3) . .
C26 N2 Mn1 123.6(2) . .
C22 N2 Mn1 118.3(2) . .
C7 N3 C9 123.9(3) . .
C7 N3 C10 123.3(3) . .
C9 N3 C10 112.8(4) . .
O1 C1 O2 121.7(3) . .
O1 C1 C2 118.2(3) . .
O2 C1 C2 120.1(3) . .
C3 C2 C8 120.5(3) . .
C3 C2 C1 120.1(3) . .
C8 C2 C1 119.4(3) . .
C2 C3 C4 119.0(3) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C6 C4 C3 120.7(3) . .
C6 C4 C5 119.0(3) . .
C3 C4 C5 120.2(3) . .
O3 C5 O4 120.9(3) . .
O3 C5 C4 120.0(3) . .
O4 C5 C4 119.1(3) . .
C4 C6 C7 120.9(3) . .
C4 C6 H6 119.5 . .
C7 C6 H6 119.5 . .
C6 C7 C8 118.2(3) . .
C6 C7 N3 120.5(3) . .
C8 C7 N3 121.3(3) . .
C2 C8 C7 120.7(3) . .
C2 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
O5B C9 N3 134.3(5) . .
O5B C9 C16 121.8(6) . .
N3 C9 C16 103.4(5) . .
O5A C10 N3 135.9(6) . .
O5A C10 C11 120.3(6) . .
N3 C10 C11 103.2(5) . .
C16 C11 C12 119.8(7) . .
C16 C11 C10 110.8(4) . .
C12 C11 C10 129.5(8) . .
C13 C12 C11 120.7(10) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C14 120.2(7) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C15 C14 C13 121.3(7) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C14 C15 C16 116.5(9) . .
C14 C15 H15 121.7 . .
C16 C15 H15 121.7 . .
C11 C16 C15 121.6(7) . .
C11 C16 C9 109.8(5) . .
C15 C16 C9 128.6(8) . .
N1 C17 C18 122.6(4) . .
N1 C17 H17 118.7 . .
C18 C17 H17 118.7 . .
C19 C18 C17 119.1(4) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C18 C19 C20 119.1(4) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
C19 C20 C21 119.2(5) . .
C19 C20 H20 120.4 . .
C21 C20 H20 120.4 . .
N1 C21 C20 122.4(4) . .
N1 C21 C22 115.7(3) . .
C20 C21 C22 121.9(4) . .
N2 C22 C23 121.2(4) . .
N2 C22 C21 116.1(3) . .
C23 C22 C21 122.8(4) . .
C24 C23 C22 120.0(4) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C25 C24 C23 118.4(5) . .
C25 C24 H24 120.8 . .
C23 C24 H24 120.8 . .
C24 C25 C26 118.6(5) . .
C24 C25 H25 120.7 . .
C26 C25 H25 120.7 . .
N2 C26 C25 123.7(4) . .
N2 C26 H26 118.1 . .
C25 C26 H26 118.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.185(2) .
Mn1 O1W 2.198(2) .
Mn1 O4 2.203(3) 1_545
Mn1 N2 2.259(3) .
Mn1 N1 2.282(3) .
Mn1 O3 2.450(3) 1_545
Mn1 O2 2.488(2) .
O1 C1 1.250(4) .
O1W H1WA 0.8772 .
O1W H1WB 0.8774 .
O2 C1 1.255(4) .
O3 C5 1.245(5) .
O3 Mn1 2.450(3) 1_565
O4 C5 1.248(4) .
O4 Mn1 2.203(3) 1_565
O5A C10 0.990(8) .
O5B C9 1.026(7) .
N1 C21 1.333(5) .
N1 C17 1.341(5) .
N2 C26 1.332(5) .
N2 C22 1.340(5) .
N3 C7 1.407(4) .
N3 C9 1.421(6) .
N3 C10 1.436(5) .
C1 C2 1.509(4) .
C2 C3 1.389(4) .
C2 C8 1.392(4) .
C3 C4 1.389(4) .
C3 H3 0.9300 .
C4 C6 1.383(5) .
C4 C5 1.508(4) .
C6 C7 1.396(4) .
C6 H6 0.9300 .
C7 C8 1.397(4) .
C8 H8 0.9300 .
C9 C16 1.496(7) .
C10 C11 1.480(8) .
C11 C16 1.347(10) .
C11 C12 1.391(7) .
C12 C13 1.313(12) .
C12 H12 0.9300 .
C13 C14 1.387(8) .
C13 H13 0.9300 .
C14 C15 1.385(12) .
C14 H14 0.9300 .
C15 C16 1.396(8) .
C15 H15 0.9300 .
C17 C18 1.387(7) .
C17 H17 0.9300 .
C18 C19 1.355(8) .
C18 H18 0.9300 .
C19 C20 1.372(7) .
C19 H19 0.9300 .
C20 C21 1.385(6) .
C20 H20 0.9300 .
C21 C22 1.492(6) .
C22 C23 1.392(6) .
C23 C24 1.385(7) .
C23 H23 0.9300 .
C24 C25 1.366(7) .
C24 H24 0.9300 .
C25 C26 1.382(6) .
C25 H25 0.9300 .
C26 H26 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
Mn1 O1 C1 O2 0.2(4) .
Mn1 O1 C1 C2 -179.8(2) .
Mn1 O2 C1 O1 -0.2(3) .
Mn1 O2 C1 C2 179.8(3) .
O1 C1 C2 C3 162.7(3) .
O2 C1 C2 C3 -17.3(4) .
O1 C1 C2 C8 -14.8(4) .
O2 C1 C2 C8 165.2(3) .
C8 C2 C3 C4 -0.4(4) .
C1 C2 C3 C4 -177.8(3) .
C2 C3 C4 C6 -0.9(5) .
C2 C3 C4 C5 176.9(3) .
Mn1 O3 C5 O4 -4.3(4) 1_565
Mn1 O3 C5 C4 176.7(3) 1_565
Mn1 O4 C5 O3 4.8(4) 1_565
Mn1 O4 C5 C4 -176.1(3) 1_565
C6 C4 C5 O3 179.7(3) .
C3 C4 C5 O3 1.8(5) .
C6 C4 C5 O4 0.6(5) .
C3 C4 C5 O4 -177.2(3) .
C3 C4 C6 C7 1.4(5) .
C5 C4 C6 C7 -176.5(3) .
C4 C6 C7 C8 -0.6(5) .
C4 C6 C7 N3 177.9(3) .
C9 N3 C7 C6 -179.6(3) .
C10 N3 C7 C6 1.5(5) .
C9 N3 C7 C8 -1.1(5) .
C10 N3 C7 C8 180.0(3) .
C3 C2 C8 C7 1.1(5) .
C1 C2 C8 C7 178.6(3) .
C6 C7 C8 C2 -0.7(4) .
N3 C7 C8 C2 -179.2(3) .
C7 N3 C9 O5B 10.9(10) .
C10 N3 C9 O5B -170.0(8) .
C7 N3 C9 C16 -177.4(3) .
C10 N3 C9 C16 1.6(4) .
C7 N3 C10 O5A -12.6(11) .
C9 N3 C10 O5A 168.3(9) .
C7 N3 C10 C11 177.1(3) .
C9 N3 C10 C11 -2.0(4) .
O5A C10 C11 C16 -170.6(7) .
N3 C10 C11 C16 1.6(5) .
O5A C10 C11 C12 9.4(10) .
N3 C10 C11 C12 -178.4(5) .
C16 C11 C12 C13 -0.5(8) .
C10 C11 C12 C13 179.5(5) .
C11 C12 C13 C14 0.9(10) .
C12 C13 C14 C15 -0.8(11) .
C13 C14 C15 C16 0.2(10) .
C12 C11 C16 C15 -0.2(8) .
C10 C11 C16 C15 179.8(4) .
C12 C11 C16 C9 179.3(4) .
C10 C11 C16 C9 -0.7(6) .
C14 C15 C16 C11 0.3(8) .
C14 C15 C16 C9 -179.0(5) .
O5B C9 C16 C11 172.5(7) .
N3 C9 C16 C11 -0.5(5) .
O5B C9 C16 C15 -8.1(10) .
N3 C9 C16 C15 178.9(5) .
C21 N1 C17 C18 -0.4(7) .
Mn1 N1 C17 C18 176.2(4) .
N1 C17 C18 C19 -1.3(9) .
C17 C18 C19 C20 1.4(9) .
C18 C19 C20 C21 0.1(9) .
C17 N1 C21 C20 2.0(7) .
Mn1 N1 C21 C20 -174.9(4) .
C17 N1 C21 C22 -177.9(4) .
Mn1 N1 C21 C22 5.2(5) .
C19 C20 C21 N1 -1.9(9) .
C19 C20 C21 C22 178.0(5) .
C26 N2 C22 C23 1.7(7) .
Mn1 N2 C22 C23 -175.6(4) .
C26 N2 C22 C21 -178.6(4) .
Mn1 N2 C22 C21 4.2(5) .
N1 C21 C22 N2 -6.2(6) .
C20 C21 C22 N2 173.9(5) .
N1 C21 C22 C23 173.6(5) .
C20 C21 C22 C23 -6.3(8) .
N2 C22 C23 C24 -0.6(10) .
C21 C22 C23 C24 179.6(6) .
C22 C23 C24 C25 -2.4(12) .
C23 C24 C25 C26 4.3(12) .
C22 N2 C26 C25 0.4(8) .
Mn1 N2 C26 C25 177.5(5) .
C24 C25 C26 N2 -3.5(11) .
