#------------------------------------------------------------------------------
#$Date: 2021-05-20 12:56:01 +0300 (Thu, 20 May 2021) $
#$Revision: 265376 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/27/1562738.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_1562738
loop_
_publ_author_name
'He, Jiang-Hong'
'Xiao, Dong-Rong'
'Chen, Hai-Yan'
'Sun, Dian-Zhen'
'Yan, Shi-Wei'
'Wang, Xin'
'Ye, Zhong-Li'
'Luo, Qun-Li'
'Wang, En-Bo'
_publ_section_title
;
 A series of 2D metal--quinolone complexes: Syntheses, structures, and
 physical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              279
_journal_page_last               288
_journal_paper_doi               10.1016/j.jssc.2012.10.015
_journal_volume                  198
_journal_year                    2013
_chemical_formula_sum            'C30 H28 F Mn N3 O8'
_chemical_formula_weight         632.49
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.6290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7622(6)
_cell_length_b                   19.2557(8)
_cell_length_c                   10.7325(5)
_cell_measurement_reflns_used    24036
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      1.57
_cell_volume                     2678.8(2)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0883
_diffrn_reflns_av_sigmaI/netI    0.0910
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            24036
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.560
_exptl_absorpt_correction_T_max  0.8410
_exptl_absorpt_correction_T_min  0.7866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         6107
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1138
_refine_ls_R_factor_gt           0.0512
_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)+(0.0410P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1142
_reflns_number_gt                3462
_reflns_number_total             6107
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-198-270.CIF
_cod_data_source_block           compound-3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1562738
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.22854(3) 0.67831(2) 0.41355(5) 0.02893(14) Uani 1 1 d . . .
F1 F 0.73119(12) 0.66096(9) 0.43007(18) 0.0421(5) Uani 1 1 d . . .
O1 O 0.26063(16) 0.52571(14) 0.7046(2) 0.0560(7) Uani 1 1 d . . .
O2 O 0.21521(16) 0.59340(12) 0.5301(2) 0.0465(6) Uani 1 1 d . . .
O3 O 0.37595(14) 0.63409(10) 0.4377(2) 0.0302(5) Uani 1 1 d . . .
O4 O 0.23554(15) 0.74645(11) 0.7685(2) 0.0384(6) Uani 1 1 d . . .
O5 O 0.26977(16) 0.74789(12) 0.5792(2) 0.0401(6) Uani 1 1 d . . .
O6 O 1.10409(15) 0.62923(11) 1.2195(2) 0.0381(6) Uani 1 1 d . . .
O7 O 1.06289(15) 0.69824(12) 1.3582(2) 0.0415(6) Uani 1 1 d . . .
N1 N 1.08408(18) 0.58646(15) 0.7247(3) 0.0427(8) Uani 1 1 d . . .
H1A H 1.1425 0.5791 0.7066 0.051 Uiso 1 1 calc R . .
H1B H 1.1017 0.6018 0.8086 0.051 Uiso 1 1 calc R . .
N2 N 0.86336(17) 0.58247(12) 0.6338(3) 0.0309(6) Uani 1 1 d . . .
N3 N 0.55730(17) 0.50374(12) 0.7268(2) 0.0267(6) Uani 1 1 d . . .
C1 C 0.2809(2) 0.55773(16) 0.6169(3) 0.0299(7) Uani 1 1 d . . .
C2 C 0.3904(2) 0.55493(15) 0.6159(3) 0.0252(7) Uani 1 1 d . . .
C3 C 0.4288(2) 0.59444(15) 0.5298(3) 0.0246(7) Uani 1 1 d . . .
C4 C 0.5400(2) 0.58852(14) 0.5560(3) 0.0229(6) Uani 1 1 d . . .
C5 C 0.5868(2) 0.62858(15) 0.4828(3) 0.0264(7) Uani 1 1 d . . .
H5A H 0.5471 0.6581 0.4166 0.032 Uiso 1 1 calc R . .
C6 C 0.6901(2) 0.62427(15) 0.5086(3) 0.0271(7) Uani 1 1 d . . .
C7 C 0.7571(2) 0.58364(15) 0.6113(3) 0.0246(7) Uani 1 1 d . . .
C8 C 0.7104(2) 0.54325(15) 0.6816(3) 0.0266(7) Uani 1 1 d . . .
H8A H 0.7510 0.5147 0.7488 0.032 Uiso 1 1 calc R . .
C9 C 0.6028(2) 0.54430(15) 0.6541(3) 0.0239(6) Uani 1 1 d . . .
C10 C 0.4559(2) 0.51190(16) 0.7072(3) 0.0288(7) Uani 1 1 d . . .
H10A H 0.4282 0.4860 0.7604 0.035 Uiso 1 1 calc R . .
C11 C 0.6168(2) 0.45390(16) 0.8304(3) 0.0339(8) Uani 1 1 d . . .
H11A H 0.6735 0.4353 0.8061 0.041 Uiso 1 1 calc R . .
H11B H 0.5723 0.4155 0.8342 0.041 Uiso 1 1 calc R . .
C12 C 0.6589(3) 0.4867(2) 0.9645(4) 0.0592(11) Uani 1 1 d . . .
H12A H 0.6967 0.4527 1.0276 0.089 Uiso 1 1 calc R . .
H12B H 0.6030 0.5042 0.9901 0.089 Uiso 1 1 calc R . .
H12C H 0.7040 0.5243 0.9617 0.089 Uiso 1 1 calc R . .
C13 C 0.9190(2) 0.64907(16) 0.6534(3) 0.0350(8) Uani 1 1 d . . .
H13A H 0.9295 0.6661 0.7420 0.042 Uiso 1 1 calc R . .
H13B H 0.8779 0.6830 0.5909 0.042 Uiso 1 1 calc R . .
C14 C 1.0218(2) 0.64049(18) 0.6340(3) 0.0426(9) Uani 1 1 d . . .
H14A H 1.0111 0.6273 0.5431 0.051 Uiso 1 1 calc R . .
H14B H 1.0587 0.6843 0.6510 0.051 Uiso 1 1 calc R . .
C15 C 1.0271(2) 0.52022(18) 0.7122(4) 0.0456(9) Uani 1 1 d . . .
H15A H 1.0674 0.4879 0.7790 0.055 Uiso 1 1 calc R . .
H15B H 1.0174 0.5000 0.6260 0.055 Uiso 1 1 calc R . .
C16 C 0.9237(2) 0.53075(17) 0.7282(3) 0.0389(8) Uani 1 1 d . . .
H16A H 0.8865 0.4870 0.7138 0.047 Uiso 1 1 calc R . .
H16B H 0.9333 0.5461 0.8176 0.047 Uiso 1 1 calc R . .
C17 C 0.5302(2) 0.66791(17) 0.9703(3) 0.0363(8) Uani 1 1 d . . .
H17A H 0.5455 0.6464 1.0522 0.044 Uiso 1 1 calc R . .
C18 C 0.4288(2) 0.68469(17) 0.8997(3) 0.0333(8) Uani 1 1 d . . .
H18A H 0.3773 0.6756 0.9356 0.040 Uiso 1 1 calc R . .
C19 C 0.4036(2) 0.71503(15) 0.7759(3) 0.0278(7) Uani 1 1 d . . .
C20 C 0.4810(2) 0.72514(16) 0.7223(3) 0.0313(7) Uani 1 1 d . . .
H20A H 0.4647 0.7426 0.6369 0.038 Uiso 1 1 calc R . .
C21 C 0.5822(2) 0.70954(16) 0.7948(3) 0.0315(8) Uani 1 1 d . . .
H21A H 0.6331 0.7175 0.7573 0.038 Uiso 1 1 calc R . .
C22 C 0.6103(2) 0.68250(16) 0.9215(3) 0.0283(7) Uani 1 1 d . . .
C23 C 0.7196(2) 0.67315(15) 1.0038(3) 0.0288(7) Uani 1 1 d . . .
C24 C 0.7980(2) 0.66770(17) 0.9502(3) 0.0394(9) Uani 1 1 d . . .
H24A H 0.7812 0.6675 0.8587 0.047 Uiso 1 1 calc R . .
C25 C 0.9005(2) 0.66256(18) 1.0289(3) 0.0409(9) Uani 1 1 d . . .
H25A H 0.9512 0.6577 0.9900 0.049 Uiso 1 1 calc R . .
C26 C 0.9280(2) 0.66457(15) 1.1650(3) 0.0305(7) Uani 1 1 d . . .
C27 C 0.8514(2) 0.67034(18) 1.2201(3) 0.0439(9) Uani 1 1 d . . .
H27A H 0.8688 0.6722 1.3116 0.053 Uiso 1 1 calc R . .
C28 C 0.7485(2) 0.67341(18) 1.1405(3) 0.0420(9) Uani 1 1 d . . .
H28A H 0.6978 0.6757 1.1798 0.050 Uiso 1 1 calc R . .
C29 C 0.2947(2) 0.73756(16) 0.7026(3) 0.0316(7) Uani 1 1 d . . .
C30 C 1.0389(2) 0.66353(17) 1.2528(3) 0.0323(8) Uani 1 1 d . . .
OW1 O 1.1447(2) 0.63321(15) 0.9855(3) 0.0562(7) Uani 1 1 d D . .
HW1A H 1.120(3) 0.6263(19) 1.047(3) 0.091(18) Uiso 1 1 d D . .
HW1B H 1.177(3) 0.6710(13) 1.000(4) 0.093(18) 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'
F F 0.0171 0.0103 '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
O2 Mn1 O3 83.51(8) . .
O2 Mn1 O5 92.54(9) . .
O3 Mn1 O5 99.94(8) . .
O2 Mn1 O4 170.84(9) . 4_575
O3 Mn1 O4 94.86(8) . 4_575
O5 Mn1 O4 96.62(9) . 4_575
O2 Mn1 O7 90.38(8) . 1_454
O3 Mn1 O7 164.63(9) . 1_454
O5 Mn1 O7 94.40(8) . 1_454
O4 Mn1 O7 88.94(8) 4_575 1_454
O2 Mn1 O6 91.74(8) . 1_454
O3 Mn1 O6 108.68(8) . 1_454
O5 Mn1 O6 151.36(8) . 1_454
O4 Mn1 O6 80.21(8) 4_575 1_454
O7 Mn1 O6 57.26(8) 1_454 1_454
O2 Mn1 C30 92.33(9) . 1_454
O3 Mn1 C30 137.20(10) . 1_454
O5 Mn1 C30 122.83(9) . 1_454
O4 Mn1 C30 82.73(9) 4_575 1_454
O7 Mn1 C30 28.66(9) 1_454 1_454
O6 Mn1 C30 28.64(8) 1_454 1_454
C1 O2 Mn1 132.73(19) . .
C3 O3 Mn1 127.45(18) . .
C29 O4 Mn1 133.9(2) . 4_576
C29 O5 Mn1 132.2(2) . .
C30 O6 Mn1 85.17(19) . 1_656
C30 O7 Mn1 94.87(18) . 1_656
C15 N1 C14 111.9(2) . .
C15 N1 H1A 109.2 . .
C14 N1 H1A 109.2 . .
C15 N1 H1B 109.2 . .
C14 N1 H1B 109.2 . .
H1A N1 H1B 107.9 . .
C7 N2 C16 116.6(2) . .
C7 N2 C13 118.3(2) . .
C16 N2 C13 110.3(2) . .
C10 N3 C9 118.9(2) . .
C10 N3 C11 118.2(2) . .
C9 N3 C11 122.8(2) . .
O1 C1 O2 123.2(3) . .
O1 C1 C2 118.0(3) . .
O2 C1 C2 118.9(3) . .
C10 C2 C3 119.3(2) . .
C10 C2 C1 115.8(3) . .
C3 C2 C1 124.9(3) . .
O3 C3 C2 125.8(3) . .
O3 C3 C4 119.0(2) . .
C2 C3 C4 115.1(3) . .
C9 C4 C5 118.1(2) . .
C9 C4 C3 122.1(2) . .
C5 C4 C3 119.8(3) . .
C6 C5 C4 119.9(3) . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C5 C6 F1 117.8(3) . .
C5 C6 C7 123.9(3) . .
F1 C6 C7 118.2(2) . .
C8 C7 N2 123.2(3) . .
C8 C7 C6 115.8(2) . .
N2 C7 C6 121.0(2) . .
C7 C8 C9 121.7(3) . .
C7 C8 H8A 119.1 . .
C9 C8 H8A 119.1 . .
N3 C9 C4 118.8(2) . .
N3 C9 C8 120.9(3) . .
C4 C9 C8 120.3(3) . .
N3 C10 C2 125.5(3) . .
N3 C10 H10A 117.2 . .
C2 C10 H10A 117.2 . .
N3 C11 C12 112.6(3) . .
N3 C11 H11A 109.1 . .
C12 C11 H11A 109.1 . .
N3 C11 H11B 109.1 . .
C12 C11 H11B 109.1 . .
H11A C11 H11B 107.8 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N2 C13 C14 110.6(3) . .
N2 C13 H13A 109.5 . .
C14 C13 H13A 109.5 . .
N2 C13 H13B 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
N1 C14 C13 110.4(3) . .
N1 C14 H14A 109.6 . .
C13 C14 H14A 109.6 . .
N1 C14 H14B 109.6 . .
C13 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
N1 C15 C16 111.5(3) . .
N1 C15 H15A 109.3 . .
C16 C15 H15A 109.3 . .
N1 C15 H15B 109.3 . .
C16 C15 H15B 109.3 . .
H15A C15 H15B 108.0 . .
N2 C16 C15 110.6(3) . .
N2 C16 H16A 109.5 . .
C15 C16 H16A 109.5 . .
N2 C16 H16B 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
C18 C17 C22 121.7(3) . .
C18 C17 H17A 119.2 . .
C22 C17 H17A 119.2 . .
C17 C18 C19 120.3(3) . .
C17 C18 H18A 119.8 . .
C19 C18 H18A 119.8 . .
C20 C19 C18 118.6(3) . .
C20 C19 C29 120.9(3) . .
C18 C19 C29 120.5(3) . .
C21 C20 C19 120.5(3) . .
C21 C20 H20A 119.8 . .
C19 C20 H20A 119.8 . .
C20 C21 C22 122.1(3) . .
C20 C21 H21A 119.0 . .
C22 C21 H21A 119.0 . .
C21 C22 C17 116.6(3) . .
C21 C22 C23 121.7(3) . .
C17 C22 C23 121.6(3) . .
C28 C23 C24 117.0(3) . .
C28 C23 C22 120.3(3) . .
C24 C23 C22 122.6(3) . .
C25 C24 C23 121.8(3) . .
C25 C24 H24A 119.1 . .
C23 C24 H24A 119.1 . .
C26 C25 C24 120.3(3) . .
C26 C25 H25A 119.8 . .
C24 C25 H25A 119.8 . .
C27 C26 C25 118.7(3) . .
C27 C26 C30 119.7(3) . .
C25 C26 C30 121.5(3) . .
C26 C27 C28 120.6(3) . .
C26 C27 H27A 119.7 . .
C28 C27 H27A 119.7 . .
C27 C28 C23 121.5(3) . .
C27 C28 H28A 119.2 . .
C23 C28 H28A 119.2 . .
O4 C29 O5 124.6(3) . .
O4 C29 C19 117.7(3) . .
O5 C29 C19 117.7(3) . .
O6 C30 O7 122.5(3) . .
O6 C30 C26 120.0(3) . .
O7 C30 C26 117.4(3) . .
O6 C30 Mn1 66.19(16) . 1_656
O7 C30 Mn1 56.47(15) . 1_656
C26 C30 Mn1 172.6(2) . 1_656
HW1A OW1 HW1B 108.9(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 2.104(2) .
Mn1 O3 2.1342(18) .
Mn1 O5 2.145(2) .
Mn1 O4 2.152(2) 4_575
Mn1 O7 2.188(2) 1_454
Mn1 O6 2.401(2) 1_454
Mn1 C30 2.615(3) 1_454
F1 C6 1.360(3) .
O1 C1 1.233(3) .
O2 C1 1.261(4) .
O3 C3 1.268(3) .
O4 C29 1.258(3) .
O4 Mn1 2.152(2) 4_576
O5 C29 1.267(4) .
O6 C30 1.258(3) .
O6 Mn1 2.401(2) 1_656
O7 C30 1.259(4) .
O7 Mn1 2.188(2) 1_656
N1 C15 1.480(4) .
N1 C14 1.485(4) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 C7 1.399(3) .
N2 C16 1.463(4) .
N2 C13 1.472(4) .
N3 C10 1.349(3) .
N3 C9 1.392(3) .
N3 C11 1.488(4) .
C1 C2 1.512(4) .
C2 C10 1.366(4) .
C2 C3 1.428(4) .
C3 C4 1.464(4) .
C4 C9 1.403(4) .
C4 C5 1.403(4) .
C5 C6 1.356(4) .
C5 H5A 0.9300 .
C6 C7 1.412(4) .
C7 C8 1.384(4) .
C8 C9 1.409(4) .
C8 H8A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.499(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.508(4) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.503(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.384(4) .
C17 C22 1.399(4) .
C17 H17A 0.9300 .
C18 C19 1.385(4) .
C18 H18A 0.9300 .
C19 C20 1.383(4) .
C19 C29 1.503(4) .
C20 C21 1.382(4) .
C20 H20A 0.9300 .
C21 C22 1.384(4) .
C21 H21A 0.9300 .
C22 C23 1.477(4) .
C23 C28 1.385(4) .
C23 C24 1.387(4) .
C24 C25 1.383(4) .
C24 H24A 0.9300 .
C25 C26 1.381(4) .
C25 H25A 0.9300 .
C26 C27 1.375(4) .
C26 C30 1.501(4) .
C27 C28 1.388(4) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C30 Mn1 2.615(3) 1_656
OW1 HW1A 0.841(10) .
OW1 HW1B 0.840(10) .
