#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:07:59 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/25/7242515.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_7242515
loop_
_publ_author_name
'Khan, Misbha Rafiq'
'Niu, Xiaoge'
'Chen, Tianling'
'Liu, Yan'
'Liu, Zhongyi'
'Liu, Bin'
'Zhang, Yuxia'
'Li, Jinpeng'
_publ_section_title
;
 Structural diversity and magnetic properties of six ferrocenyl
 monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua,
 carboxyl or dinuclear hydroxyl bridges
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3185
_journal_page_last               3195
_journal_paper_doi               10.1039/D1CE00189B
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C34 H30 Cl2 Fe2 Mn N0 O7'
_chemical_formula_weight         788.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc271nqp
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-01-19 deposited with the CCDC.	2021-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.89(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   45.506(9)
_cell_length_b                   9.888(2)
_cell_length_c                   8.1578(16)
_cell_measurement_reflns_used    3732
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5339
_cell_measurement_theta_min      2.4604
_cell_volume                     3662.3(13)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  Saturn724
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            17874
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.993
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_min         2.460
_diffrn_source                   0
_exptl_absorpt_coefficient_mu    1.310
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9049
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_transmission_factor_max   0
_exptl_transmission_factor_min   0
_refine_diff_density_max         0.752
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.287
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3230
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.287
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0733
_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)+(0.0883P)²+10.2521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1940
_refine_ls_wR_factor_ref         0.2014
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2898
_reflns_number_total             3230
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00189b2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' 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.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7242515--7242520.cif.
;
_cod_original_cell_volume        3662.2(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7242515
_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.
;
_shelx_estimated_absorpt_t_min   0.780
_shelx_estimated_absorpt_t_max   0.780
_exptl_absorpt_special_details   0
loop_
_space_group_symop_operation_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_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
Fe1 Fe 0.19574(2) 0.26000(7) 0.16275(9) 0.0380(3) Uani 1 1 d . . . . .
Mn1 Mn 0.0000 0.5000 0.5000 0.0507(4) Uani 1 2 d DS . P . .
Cl1 Cl 0.10123(5) 0.1008(3) 0.6695(4) 0.1223(11) Uani 1 1 d . . . . .
C4 C 0.17576(11) 0.3615(5) 0.3441(6) 0.0393(11) Uani 1 1 d . . . . .
C14 C 0.08719(11) 0.3290(6) 0.4906(7) 0.0482(14) Uani 1 1 d . . . . .
O1 O 0.0000 0.3997(7) 0.7500 0.0525(15) Uani 1 2 d DS T P . .
C11 C 0.14520(11) 0.3462(5) 0.3897(6) 0.0423(12) Uani 1 1 d . . . . .
C5 C 0.18625(12) 0.4543(5) 0.2252(7) 0.0450(13) Uani 1 1 d . . . . .
H5 H 0.1741 0.5179 0.1580 0.054 Uiso 1 1 calc R U . . .
O4 O 0.05148(9) 0.2983(6) 0.6874(5) 0.0674(13) Uani 1 1 d . . . . .
O3 O 0.03658(8) 0.3797(5) 0.4432(5) 0.0661(13) Uani 1 1 d . . . . .
C2 C 0.22606(12) 0.3368(6) 0.3335(7) 0.0472(13) Uani 1 1 d . . . . .
H2 H 0.2463 0.3039 0.3548 0.057 Uiso 1 1 calc R U . . .
C1 C 0.21716(13) 0.4381(6) 0.2220(7) 0.0505(14) Uani 1 1 d . . . . .
H1 H 0.2300 0.4879 0.1515 0.061 Uiso 1 1 calc R U . . .
C17 C 0.05622(12) 0.3326(7) 0.5474(7) 0.0519(15) Uani 1 1 d . . . . .
O2 O -0.03021(12) 0.3543(7) 0.3852(6) 0.0780(16) Uani 1 1 d D . . . .
C3 C 0.20087(11) 0.2879(6) 0.4111(7) 0.0430(12) Uani 1 1 d . . . . .
H3 H 0.2008 0.2170 0.4950 0.052 Uiso 1 1 calc R U . . .
C15 C 0.09552(13) 0.4307(7) 0.3844(8) 0.0602(17) Uani 1 1 d . . . . .
H15 H 0.0816 0.4943 0.3466 0.072 Uiso 1 1 calc R U . . .
C12 C 0.13695(13) 0.2452(6) 0.4936(8) 0.0513(15) Uani 1 1 d . . . . .
H12 H 0.1508 0.1815 0.5315 0.062 Uiso 1 1 calc R U . . .
C13 C 0.10876(13) 0.2366(6) 0.5420(8) 0.0526(15) Uani 1 1 d . . . . .
C16 C 0.12356(13) 0.4396(7) 0.3344(8) 0.0563(15) Uani 1 1 d . . . . .
H16 H 0.1283 0.5084 0.2630 0.068 Uiso 1 1 calc R U . . .
C9 C 0.16540(16) 0.1332(8) 0.0529(10) 0.076(2) Uani 1 1 d . . . . .
H9 H 0.1450 0.1213 0.0814 0.091 Uiso 1 1 calc R U . . .
C10 C 0.17538(19) 0.2217(7) -0.0629(9) 0.070(2) Uani 1 1 d . . . . .
H10 H 0.1630 0.2861 -0.1276 0.084 Uiso 1 1 calc R U . . .
C7 C 0.21484(18) 0.1110(9) 0.0366(11) 0.081(2) Uani 1 1 d . . . . .
H7 H 0.2353 0.0804 0.0538 0.098 Uiso 1 1 calc R U . . .
C6 C 0.20472(19) 0.2083(8) -0.0705(9) 0.072(2) Uani 1 1 d . . . . .
H6 H 0.2169 0.2610 -0.1417 0.087 Uiso 1 1 calc R U . . .
C8 C 0.1904(2) 0.0607(6) 0.1189(9) 0.084(3) Uani 1 1 d . . . . .
H8 H 0.1906 -0.0121 0.2005 0.101 Uiso 1 1 calc R U . . .
H2W H -0.0304(13) 0.2692(16) 0.404(6) 0.06(2) Uiso 1 1 d D . . . .
H2WA H -0.040(2) 0.366(4) 0.293(7) 0.16(5) Uiso 1 1 d D . . . .
H1W H 0.0129(13) 0.338(6) 0.759(12) 0.10(3) Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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'
Fe Fe 0.3463 0.8444 '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
C8 Fe1 C7 41.4(3) . . ?
C8 Fe1 C9 41.1(3) . . ?
C7 Fe1 C9 68.2(3) . . ?
C8 Fe1 C2 123.6(3) . . ?
C7 Fe1 C2 108.9(3) . . ?
C9 Fe1 C2 160.2(3) . . ?
C8 Fe1 C10 67.4(3) . . ?
C7 Fe1 C10 65.8(3) . . ?
C9 Fe1 C10 39.9(3) . . ?
C2 Fe1 C10 158.5(3) . . ?
C8 Fe1 C5 160.0(4) . . ?
C7 Fe1 C5 156.4(3) . . ?
C9 Fe1 C5 122.9(3) . . ?
C2 Fe1 C5 67.9(2) . . ?
C10 Fe1 C5 108.0(3) . . ?
C8 Fe1 C6 67.6(3) . . ?
C7 Fe1 C6 39.0(3) . . ?
C9 Fe1 C6 66.8(3) . . ?
C2 Fe1 C6 124.2(3) . . ?
C10 Fe1 C6 38.6(3) . . ?
C5 Fe1 C6 121.9(3) . . ?
C8 Fe1 C3 108.2(3) . . ?
C7 Fe1 C3 125.3(3) . . ?
C9 Fe1 C3 123.4(3) . . ?
C2 Fe1 C3 41.0(2) . . ?
C10 Fe1 C3 159.2(3) . . ?
C5 Fe1 C3 68.7(2) . . ?
C6 Fe1 C3 160.6(3) . . ?
C8 Fe1 C1 158.4(4) . . ?
C7 Fe1 C1 122.0(3) . . ?
C9 Fe1 C1 158.7(3) . . ?
C2 Fe1 C1 39.8(2) . . ?
C10 Fe1 C1 123.4(3) . . ?
C5 Fe1 C1 40.5(2) . . ?
C6 Fe1 C1 108.2(3) . . ?
C3 Fe1 C1 68.3(2) . . ?
C8 Fe1 C4 123.5(3) . . ?
C7 Fe1 C4 161.6(3) . . ?
C9 Fe1 C4 107.4(2) . . ?
C2 Fe1 C4 68.8(2) . . ?
C10 Fe1 C4 123.1(3) . . ?
C5 Fe1 C4 41.2(2) . . ?
C6 Fe1 C4 157.4(3) . . ?
C3 Fe1 C4 40.9(2) . . ?
C1 Fe1 C4 68.7(2) . . ?
O3 Mn1 O3 180.0 . 5_566 ?
O3 Mn1 O2 89.0(2) . 5_566 ?
O3 Mn1 O2 91.0(2) 5_566 5_566 ?
O3 Mn1 O2 91.0(2) . . ?
O3 Mn1 O2 89.0(2) 5_566 . ?
O2 Mn1 O2 180.0 5_566 . ?
O3 Mn1 O1 90.04(16) . 5_566 ?
O3 Mn1 O1 89.96(16) 5_566 5_566 ?
O2 Mn1 O1 93.40(19) 5_566 5_566 ?
O2 Mn1 O1 86.60(19) . 5_566 ?
O3 Mn1 O1 89.96(16) . . ?
O3 Mn1 O1 90.04(16) 5_566 . ?
O2 Mn1 O1 86.60(19) 5_566 . ?
O2 Mn1 O1 93.40(19) . . ?
O1 Mn1 O1 180.0 5_566 . ?
C5 C4 C3 106.8(4) . . ?
C5 C4 C11 126.7(5) . . ?
C3 C4 C11 126.5(5) . . ?
C5 C4 Fe1 69.1(3) . . ?
C3 C4 Fe1 69.2(3) . . ?
C11 C4 Fe1 127.2(4) . . ?
C13 C14 C15 116.5(5) . . ?
C13 C14 C17 125.3(5) . . ?
C15 C14 C17 118.1(5) . . ?
Mn1 O1 Mn1 128.2(3) 2_556 . ?
Mn1 O1 H1W 106(6) 2_556 . ?
Mn1 O1 H1W 110(6) . . ?
C12 C11 C16 117.5(5) . . ?
C12 C11 C4 122.1(5) . . ?
C16 C11 C4 120.4(5) . . ?
C1 C5 C4 108.4(5) . . ?
C1 C5 Fe1 70.2(3) . . ?
C4 C5 Fe1 69.7(3) . . ?
C1 C5 H5 125.8 . . ?
C4 C5 H5 125.8 . . ?
Fe1 C5 H5 125.8 . . ?
C17 O3 Mn1 125.6(4) . . ?
C1 C2 C3 109.0(5) . . ?
C1 C2 Fe1 70.6(3) . . ?
C3 C2 Fe1 69.6(3) . . ?
C1 C2 H2 125.5 . . ?
C3 C2 H2 125.5 . . ?
Fe1 C2 H2 125.5 . . ?
C2 C1 C5 108.3(5) . . ?
C2 C1 Fe1 69.5(3) . . ?
C5 C1 Fe1 69.2(3) . . ?
C2 C1 H1 125.9 . . ?
C5 C1 H1 125.9 . . ?
Fe1 C1 H1 125.9 . . ?
O4 C17 O3 124.1(5) . . ?
O4 C17 C14 120.4(5) . . ?
O3 C17 C14 115.4(5) . . ?
Mn1 O2 H2W 126(2) . . ?
Mn1 O2 H2WA 125(2) . . ?
H2W O2 H2WA 106(3) . . ?
C2 C3 C4 107.6(5) . . ?
C2 C3 Fe1 69.4(3) . . ?
C4 C3 Fe1 69.8(3) . . ?
C2 C3 H3 126.2 . . ?
C4 C3 H3 126.2 . . ?
Fe1 C3 H3 126.2 . . ?
C16 C15 C14 121.9(6) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C13 C12 C11 121.4(5) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C14 122.0(5) . . ?
C12 C13 Cl1 116.4(4) . . ?
C14 C13 Cl1 121.6(4) . . ?
C15 C16 C11 120.7(6) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C10 C9 C8 106.7(7) . . ?
C10 C9 Fe1 70.5(4) . . ?
C8 C9 Fe1 69.0(4) . . ?
C10 C9 H9 126.6 . . ?
C8 C9 H9 126.6 . . ?
Fe1 C9 H9 126.6 . . ?
C6 C10 C9 109.9(7) . . ?
C6 C10 Fe1 70.7(4) . . ?
C9 C10 Fe1 69.6(4) . . ?
C6 C10 H10 125.0 . . ?
C9 C10 H10 125.0 . . ?
Fe1 C10 H10 125.0 . . ?
C6 C7 C8 107.9(7) . . ?
C6 C7 Fe1 71.0(4) . . ?
C8 C7 Fe1 68.9(4) . . ?
C6 C7 H7 126.0 . . ?
C8 C7 H7 126.0 . . ?
Fe1 C7 H7 126.0 . . ?
C10 C6 C7 109.5(7) . . ?
C10 C6 Fe1 70.8(4) . . ?
C7 C6 Fe1 70.0(4) . . ?
C10 C6 H6 125.2 . . ?
C7 C6 H6 125.2 . . ?
Fe1 C6 H6 125.2 . . ?
C7 C8 C9 106.0(6) . . ?
C7 C8 Fe1 69.7(4) . . ?
C9 C8 Fe1 70.0(4) . . ?
C7 C8 H8 127.0 . . ?
C9 C8 H8 127.0 . . ?
Fe1 C8 H8 127.0 . . ?
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
Fe1 C8 2.015(6) . ?
Fe1 C7 2.026(7) . ?
Fe1 C9 2.028(7) . ?
Fe1 C2 2.040(6) . ?
Fe1 C10 2.040(7) . ?
Fe1 C5 2.041(5) . ?
Fe1 C6 2.039(7) . ?
Fe1 C3 2.042(5) . ?
Fe1 C1 2.054(6) . ?
Fe1 C4 2.050(5) . ?
Mn1 O3 2.122(4) . ?
Mn1 O3 2.122(4) 5_566 ?
Mn1 O2 2.161(5) 5_566 ?
Mn1 O2 2.161(5) . ?
Mn1 O1 2.268(3) 5_566 ?
Mn1 O1 2.268(3) . ?
Cl1 C13 1.746(6) . ?
C4 C5 1.440(7) . ?
C4 C3 1.431(7) . ?
C4 C11 1.472(7) . ?
C14 C13 1.385(8) . ?
C14 C15 1.396(9) . ?
C14 C17 1.513(7) . ?
O1 Mn1 2.268(3) 2_556 ?
O1 H1W 0.849(10) . ?
C11 C12 1.378(8) . ?
C11 C16 1.402(8) . ?
C5 C1 1.418(8) . ?
C5 H5 0.9800 . ?
O4 C17 1.224(7) . ?
O3 C17 1.279(7) . ?
C2 C1 1.395(8) . ?
C2 C3 1.431(8) . ?
C2 H2 0.9800 . ?
C1 H1 0.9800 . ?
O2 H2W 0.855(10) . ?
O2 H2WA 0.854(10) . ?
C3 H3 0.9800 . ?
C15 C16 1.369(8) . ?
C15 H15 0.9300 . ?
C12 C13 1.371(8) . ?
C12 H12 0.9300 . ?
C16 H16 0.9300 . ?
C9 C10 1.386(11) . ?
C9 C8 1.418(11) . ?
C9 H9 0.9800 . ?
C10 C6 1.347(11) . ?
C10 H10 0.9800 . ?
C7 C6 1.358(11) . ?
C7 C8 1.429(12) . ?
C7 H7 0.9800 . ?
C6 H6 0.9800 . ?
C8 H8 0.9800 . ?
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
C5 C4 C11 C12 173.5(6) . . . . ?
C3 C4 C11 C12 -7.3(9) . . . . ?
Fe1 C4 C11 C12 83.1(7) . . . . ?
C5 C4 C11 C16 -9.7(8) . . . . ?
C3 C4 C11 C16 169.5(6) . . . . ?
Fe1 C4 C11 C16 -100.1(6) . . . . ?
C3 C4 C5 C1 -0.7(6) . . . . ?
C11 C4 C5 C1 178.6(5) . . . . ?
Fe1 C4 C5 C1 -59.9(4) . . . . ?
C3 C4 C5 Fe1 59.2(4) . . . . ?
C11 C4 C5 Fe1 -121.5(5) . . . . ?
C3 C2 C1 C5 -0.6(7) . . . . ?
Fe1 C2 C1 C5 58.6(4) . . . . ?
C3 C2 C1 Fe1 -59.2(4) . . . . ?
C4 C5 C1 C2 0.8(6) . . . . ?
Fe1 C5 C1 C2 -58.7(4) . . . . ?
C4 C5 C1 Fe1 59.5(4) . . . . ?
Mn1 O3 C17 O4 32.8(10) . . . . ?
Mn1 O3 C17 C14 -143.6(4) . . . . ?
C13 C14 C17 O4 32.8(10) . . . . ?
C15 C14 C17 O4 -143.6(7) . . . . ?
C13 C14 C17 O3 -150.7(6) . . . . ?
C15 C14 C17 O3 32.9(8) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
Fe1 C2 C3 C4 -59.6(4) . . . . ?
C1 C2 C3 Fe1 59.9(4) . . . . ?
C5 C4 C3 C2 0.3(6) . . . . ?
C11 C4 C3 C2 -179.0(5) . . . . ?
Fe1 C4 C3 C2 59.4(4) . . . . ?
C5 C4 C3 Fe1 -59.1(4) . . . . ?
C11 C4 C3 Fe1 121.6(5) . . . . ?
C13 C14 C15 C16 -0.5(10) . . . . ?
C17 C14 C15 C16 176.2(6) . . . . ?
C16 C11 C12 C13 -0.4(9) . . . . ?
C4 C11 C12 C13 176.4(6) . . . . ?
C11 C12 C13 C14 -0.5(10) . . . . ?
C11 C12 C13 Cl1 178.4(5) . . . . ?
C15 C14 C13 C12 0.9(10) . . . . ?
C17 C14 C13 C12 -175.5(6) . . . . ?
C15 C14 C13 Cl1 -177.9(5) . . . . ?
C17 C14 C13 Cl1 5.7(9) . . . . ?
C14 C15 C16 C11 -0.4(11) . . . . ?
C12 C11 C16 C15 0.9(9) . . . . ?
C4 C11 C16 C15 -176.1(6) . . . . ?
C8 C9 C10 C6 -0.5(8) . . . . ?
Fe1 C9 C10 C6 59.3(5) . . . . ?
C8 C9 C10 Fe1 -59.8(5) . . . . ?
C9 C10 C6 C7 0.8(8) . . . . ?
Fe1 C10 C6 C7 59.5(5) . . . . ?
C9 C10 C6 Fe1 -58.7(5) . . . . ?
C8 C7 C6 C10 -0.7(8) . . . . ?
Fe1 C7 C6 C10 -59.9(5) . . . . ?
C8 C7 C6 Fe1 59.2(5) . . . . ?
C6 C7 C8 C9 0.4(8) . . . . ?
Fe1 C7 C8 C9 60.9(5) . . . . ?
C6 C7 C8 Fe1 -60.5(5) . . . . ?
C10 C9 C8 C7 0.0(7) . . . . ?
Fe1 C9 C8 C7 -60.8(5) . . . . ?
C10 C9 C8 Fe1 60.8(5) . . . . ?
