#------------------------------------------------------------------------------
#$Date: 2023-12-08 19:12:05 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288193 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/73/7037312.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_7037312
loop_
_publ_author_name
'Chakraborty, Prateeti'
'Majumder, Ishani'
'Banu, Kazi Sabnam'
'Ghosh, Bipinbihari'
'Kara, Hulya'
'Zangrando, Ennio'
'Das, Debasis'
_publ_section_title
;
 Mn(ii) complexes of different nuclearity: synthesis, characterization and
 catecholase-like activity.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              742
_journal_page_last               752
_journal_paper_doi               10.1039/c5dt03659c
_journal_volume                  45
_journal_year                    2015
_chemical_formula_sum            'C48 H54 B Cl Mn2 N4 O7'
_chemical_formula_weight         955.09
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-05 deposited with the CCDC.
2015-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.100(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1317(17)
_cell_length_b                   24.757(4)
_cell_length_c                   17.083(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4701.0(13)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'BRUKER SMART APEX CCD DIFFRACTOMETER'
_diffrn_measurement_method       'OMEGA-PHI SCAN'
_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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32933
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    0.648
_exptl_absorpt_correction_T_max  0.837
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, BRUKER (2009)'
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.981
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         9482
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1135P)²+1.4624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1675
_refine_ls_wR_factor_ref         0.1888
_reflns_number_gt                6350
_reflns_number_total             9482
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03659c2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7037311--7037313.cif.

The following automatic conversions were performed:

data name '_exptl_absorpt_process_detail' was replaced with
'_exptl_absorpt_process_details' as specified in the replacement file
'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        4700.9(12)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7037312
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mn1 Mn 0.71666(4) 0.182433(18) 0.60639(3) 0.04760(18) Uani 1 1 d .
Cl1 Cl 1.20605(17) 0.2500 0.90882(12) 0.1029(7) Uani 1 2 d S
O1 O 0.8089(3) 0.2500 0.6676(2) 0.0507(8) Uani 1 2 d S
N1 N 0.8289(2) 0.13273(10) 0.67985(16) 0.0455(6) Uani 1 1 d .
N2 N 0.6680(2) 0.09215(10) 0.55660(16) 0.0482(7) Uani 1 1 d .
N3 O 0.4354(3) 0.08292(13) 0.47649(18) 0.0824(9) Uani 1 1 d .
C1 C 0.8932(4) 0.2500 0.7241(3) 0.0442(10) Uani 1 2 d S
C2 C 0.9424(3) 0.20119(13) 0.7566(2) 0.0471(8) Uani 1 1 d .
C3 C 1.0353(3) 0.20244(14) 0.8138(2) 0.0589(9) Uani 1 1 d .
H3 H 1.0661 0.1701 0.8339 0.071 Uiso 1 1 calc R
C4 C 1.0831(5) 0.2500 0.8415(3) 0.0632(14) Uani 1 2 d S
C5 C 0.9069(3) 0.14719(13) 0.7323(2) 0.0491(8) Uani 1 1 d .
H5 H 0.9470 0.1192 0.7591 0.059 Uiso 1 1 calc R
C6 C 0.8158(3) 0.07420(13) 0.6660(2) 0.0571(9) Uani 1 1 d .
H6A H 0.7548 0.0597 0.6986 0.069 Uiso 1 1 calc R
H6B H 0.8913 0.0561 0.6798 0.069 Uiso 1 1 calc R
C7 C 0.7806(3) 0.06442(14) 0.5813(2) 0.0581(9) Uani 1 1 d .
H7A H 0.8445 0.0770 0.5494 0.070 Uiso 1 1 calc R
H7B H 0.7709 0.0259 0.5725 0.070 Uiso 1 1 calc R
C8 C 0.5656(3) 0.06453(16) 0.5904(2) 0.0606(9) Uani 1 1 d .
H8A H 0.5715 0.0684 0.6470 0.073 Uiso 1 1 calc R
H8B H 0.5684 0.0263 0.5781 0.073 Uiso 1 1 calc R
C9 C 0.4481(4) 0.08784(19) 0.5586(3) 0.0738(12) Uani 1 1 d .
H9A H 0.3823 0.0692 0.5820 0.089 Uiso 1 1 calc R
H9B H 0.4441 0.1257 0.5730 0.089 Uiso 1 1 calc R
C10 C 0.5303(4) 0.1098(2) 0.4435(2) 0.0793(12) Uani 1 1 d .
H10A H 0.5267 0.1478 0.4570 0.095 Uiso 1 1 calc R
H10B H 0.5211 0.1068 0.3869 0.095 Uiso 1 1 calc R
C11 C 0.6503(4) 0.08802(16) 0.4704(2) 0.0627(10) Uani 1 1 d .
H11A H 0.6563 0.0505 0.4547 0.075 Uiso 1 1 calc R
H11B H 0.7129 0.1081 0.4459 0.075 Uiso 1 1 calc R
O2 O 0.5524(2) 0.20560(10) 0.64029(17) 0.0646(7) Uani 1 1 d .
O3 O 0.7574(4) 0.20540(13) 0.4975(2) 0.1063(12) Uani 1 1 d .
C12 C 0.5086(5) 0.2500 0.6568(3) 0.0582(13) Uani 1 2 d S
C13 C 0.3959(7) 0.2500 0.7009(6) 0.129(4) Uani 1 2 d S
H13A H 0.3715 0.2134 0.7100 0.194 Uiso 0.50 1 calc PR
H13B H 0.3333 0.2685 0.6708 0.194 Uiso 0.50 1 calc PR
H13C H 0.4108 0.2680 0.7503 0.194 Uiso 0.50 1 calc PR
C14 C 0.7666(9) 0.2500 0.4657(5) 0.114(3) Uani 1 2 d S
C15 C 0.7898(13) 0.2500 0.3777(6) 0.180(5) Uani 1 2 d SU
H15A H 0.7966 0.2135 0.3597 0.270 Uiso 0.50 1 calc PR
H15B H 0.8631 0.2691 0.3694 0.270 Uiso 0.50 1 calc PR
H15C H 0.7241 0.2675 0.3491 0.270 Uiso 0.50 1 calc PR
Mn2 Mn 0.24755(5) 0.184981(18) 0.19530(3) 0.04961(18) Uani 1 1 d .
Cl2 Cl 0.6757(2) 0.2500 -0.11363(14) 0.1176(8) Uani 1 2 d S
O4 O 0.3338(3) 0.2500 0.1359(2) 0.0536(8) Uani 1 2 d S
N4 N 0.3510(3) 0.13452(11) 0.12744(19) 0.0564(7) Uani 1 1 d .
N5 N 0.1776(3) 0.10106(11) 0.23549(18) 0.0626(8) Uani 1 1 d .
N6 O 0.0478(4) 0.10718(17) 0.3754(2) 0.1102(12) Uani 1 1 d .
C21 C 0.4088(4) 0.2500 0.0791(3) 0.0449(10) Uani 1 2 d S
C22 C 0.4498(3) 0.20112(13) 0.0468(2) 0.0500(8) Uani 1 1 d .
C23 C 0.5300(4) 0.20217(16) -0.0129(2) 0.0656(10) Uani 1 1 d .
H23 H 0.5565 0.1698 -0.0336 0.079 Uiso 1 1 calc R
C24 C 0.5707(5) 0.2500 -0.0415(4) 0.0709(15) Uani 1 2 d S
C25 C 0.4195(3) 0.14714(13) 0.0741(2) 0.0583(9) Uani 1 1 d .
H25 H 0.4553 0.1185 0.0490 0.070 Uiso 1 1 calc R
C26 C 0.3349(4) 0.07643(14) 0.1463(3) 0.0809(14) Uani 1 1 d .
H26A H 0.3501 0.0547 0.1006 0.097 Uiso 1 1 calc R
H26B H 0.3924 0.0660 0.1883 0.097 Uiso 1 1 calc R
C27 C 0.2121(5) 0.06623(16) 0.1703(3) 0.0844(13) Uani 1 1 d .
H27A H 0.2057 0.0287 0.1860 0.101 Uiso 1 1 calc R
H27B H 0.1560 0.0720 0.1256 0.101 Uiso 1 1 calc R
C28 C 0.2287(4) 0.08360(19) 0.3125(3) 0.0837(14) Uani 1 1 d .
H28A H 0.2157 0.0451 0.3184 0.100 Uiso 1 1 calc R
H28B H 0.3148 0.0900 0.3152 0.100 Uiso 1 1 calc R
C29 C 0.1755(5) 0.1119(2) 0.3761(3) 0.0983(17) Uani 1 1 d .
H29A H 0.2097 0.0980 0.4254 0.118 Uiso 1 1 calc R
H29B H 0.1965 0.1499 0.3732 0.118 Uiso 1 1 calc R
C30 C -0.0013(4) 0.1274(2) 0.3068(3) 0.0939(15) Uani 1 1 d .
H30A H 0.0198 0.1652 0.3024 0.113 Uiso 1 1 calc R
H30B H -0.0883 0.1248 0.3065 0.113 Uiso 1 1 calc R
C31 C 0.0432(4) 0.09684(17) 0.2383(3) 0.0773(13) Uani 1 1 d .
H31A H 0.0056 0.1112 0.1901 0.093 Uiso 1 1 calc R
H31B H 0.0205 0.0591 0.2422 0.093 Uiso 1 1 calc R
O5 O 0.3311(5) 0.20523(15) 0.3017(2) 0.1347(18) Uani 1 1 d .
O6 O 0.0818(2) 0.20544(11) 0.14639(19) 0.0733(8) Uani 1 1 d .
C32 C 0.3444(8) 0.2500 0.3318(5) 0.117(3) Uani 1 2 d S
C33 C 0.3756(11) 0.2500 0.4215(6) 0.156(4) Uani 1 2 d SU
H33A H 0.3848 0.2865 0.4397 0.234 Uiso 0.50 1 calc PR
H33B H 0.4494 0.2307 0.4323 0.234 Uiso 0.50 1 calc PR
H33C H 0.3121 0.2328 0.4480 0.234 Uiso 0.50 1 calc PR
C34 C 0.0401(5) 0.2500 0.1250(3) 0.0589(13) Uani 1 2 d S
C35 C -0.0655(7) 0.2500 0.0676(5) 0.106(3) Uani 1 2 d S
H35A H -0.0881 0.2866 0.0552 0.159 Uiso 0.50 1 calc PR
H35B H -0.1316 0.2318 0.0899 0.159 Uiso 0.50 1 calc PR
H35C H -0.0448 0.2317 0.0206 0.159 Uiso 0.50 1 calc PR
B1 B 0.2753(3) 0.03221(15) 0.81062(19) 0.0405(8) Uani 1 1 d .
C41 C 0.2172(3) 0.05095(15) 0.72422(18) 0.0469(8) Uani 1 1 d .
C42 C 0.1693(3) 0.01529(18) 0.6667(2) 0.0616(10) Uani 1 1 d .
H42 H 0.1749 -0.0217 0.6760 0.074 Uiso 1 1 calc R
C43 C 0.1145(4) 0.0328(3) 0.5970(2) 0.0866(15) Uani 1 1 d .
H43 H 0.0823 0.0079 0.5609 0.104 Uiso 1 1 calc R
C44 C 0.1074(4) 0.0870(3) 0.5812(3) 0.101(2) Uani 1 1 d .
H44 H 0.0742 0.0991 0.5333 0.121 Uiso 1 1 calc R
C45 C 0.1498(4) 0.1232(2) 0.6366(3) 0.0847(15) Uani 1 1 d .
H45 H 0.1418 0.1600 0.6270 0.102 Uiso 1 1 calc R
C46 C 0.2043(3) 0.10559(17) 0.7068(2) 0.0617(10) Uani 1 1 d .
H46 H 0.2330 0.1310 0.7433 0.074 Uiso 1 1 calc R
C47 C 0.4115(3) 0.05603(12) 0.82948(17) 0.0407(7) Uani 1 1 d .
C48 C 0.4788(3) 0.03863(14) 0.89573(19) 0.0508(8) Uani 1 1 d .
H48 H 0.4450 0.0133 0.9282 0.061 Uiso 1 1 calc R
C49 C 0.5936(3) 0.05710(14) 0.9156(2) 0.0588(9) Uani 1 1 d .
H49 H 0.6348 0.0438 0.9603 0.071 Uiso 1 1 calc R
C50 C 0.6474(3) 0.09462(15) 0.8705(2) 0.0588(9) Uani 1 1 d .
H50 H 0.7247 0.1071 0.8836 0.071 Uiso 1 1 calc R
C51 C 0.5839(3) 0.11316(18) 0.8055(2) 0.0666(10) Uani 1 1 d .
H51 H 0.6183 0.1389 0.7740 0.080 Uiso 1 1 calc R
C52 C 0.4689(3) 0.09427(15) 0.7855(2) 0.0548(9) Uani 1 1 d .
H52 H 0.4285 0.1079 0.7406 0.066 Uiso 1 1 calc R
C53 C 0.1827(3) 0.05550(12) 0.87340(17) 0.0415(7) Uani 1 1 d .
C54 C 0.0643(3) 0.03691(15) 0.8740(2) 0.0535(8) Uani 1 1 d .
H54 H 0.0402 0.0100 0.8386 0.064 Uiso 1 1 calc R
C55 C -0.0186(3) 0.05595(17) 0.9238(2) 0.0633(10) Uani 1 1 d .
H55 H -0.0955 0.0412 0.9227 0.076 Uiso 1 1 calc R
C56 C 0.0121(4) 0.09674(16) 0.9749(2) 0.0643(10) Uani 1 1 d .
H56 H -0.0435 0.1101 1.0088 0.077 Uiso 1 1 calc R
C57 C 0.1256(4) 0.11756(16) 0.9755(2) 0.0618(10) Uani 1 1 d .
H57 H 0.1469 0.1457 1.0095 0.074 Uiso 1 1 calc R
C58 C 0.2099(3) 0.09725(13) 0.92602(18) 0.0469(8) Uani 1 1 d .
H58 H 0.2868 0.1120 0.9281 0.056 Uiso 1 1 calc R
C59 C 0.2868(3) -0.03411(13) 0.81729(18) 0.0436(7) Uani 1 1 d .
C60 C 0.3501(3) -0.06397(15) 0.7627(2) 0.0592(9) Uani 1 1 d .
H60 H 0.3847 -0.0454 0.7222 0.071 Uiso 1 1 calc R
C61 C 0.3632(4) -0.11863(17) 0.7662(3) 0.0721(11) Uani 1 1 d .
H61 H 0.4041 -0.1364 0.7278 0.086 Uiso 1 1 calc R
C62 C 0.3166(4) -0.14792(16) 0.8261(3) 0.0697(11) Uani 1 1 d .
H62 H 0.3245 -0.1853 0.8283 0.084 Uiso 1 1 calc R
C63 C 0.2586(3) -0.12036(16) 0.8819(2) 0.0636(10) Uani 1 1 d .
H63 H 0.2292 -0.1391 0.9240 0.076 Uiso 1 1 calc R
C64 C 0.2428(3) -0.06488(13) 0.8771(2) 0.0505(8) Uani 1 1 d .
H64 H 0.2009 -0.0476 0.9156 0.061 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'
B B 0.0013 0.0007 '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'
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
O3 Mn1 O2 115.71(15) . .
O3 Mn1 N1 123.69(15) . .
O2 Mn1 N1 120.46(11) . .
O3 Mn1 O1 95.80(13) . .
O2 Mn1 O1 93.10(11) . .
N1 Mn1 O1 85.12(9) . .
O3 Mn1 N2 89.64(11) . .
O2 Mn1 N2 99.89(10) . .
N1 Mn1 N2 77.70(10) . .
O1 Mn1 N2 162.09(9) . .
C1 O1 Mn1 130.42(6) . 4_565
C1 O1 Mn1 130.42(6) . .
Mn1 O1 Mn1 99.15(12) 4_565 .
C5 N1 C6 116.7(3) . .
C5 N1 Mn1 128.0(2) . .
C6 N1 Mn1 115.2(2) . .
C7 N2 C8 109.6(3) . .
C7 N2 C11 108.6(3) . .
C8 N2 C11 107.1(3) . .
C7 N2 Mn1 99.10(19) . .
C8 N2 Mn1 116.7(2) . .
C11 N2 Mn1 115.2(2) . .
C10 N3 C9 108.9(3) . .
O1 C1 C2 122.1(2) . 4_565
O1 C1 C2 122.1(2) . .
C2 C1 C2 115.8(4) 4_565 .
C3 C2 C1 120.8(3) . .
C3 C2 C5 113.9(3) . .
C1 C2 C5 125.3(3) . .
C4 C3 C2 121.7(3) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C3 C4 C3 119.1(4) . 4_565
C3 C4 Cl1 120.4(2) . .
C3 C4 Cl1 120.4(2) 4_565 .
N1 C5 C2 129.1(3) . .
N1 C5 H5 115.5 . .
C2 C5 H5 115.5 . .
N1 C6 C7 109.4(3) . .
N1 C6 H6A 109.8 . .
C7 C6 H6A 109.8 . .
N1 C6 H6B 109.8 . .
C7 C6 H6B 109.8 . .
H6A C6 H6B 108.2 . .
N2 C7 C6 112.1(3) . .
N2 C7 H7A 109.2 . .
C6 C7 H7A 109.2 . .
N2 C7 H7B 109.2 . .
C6 C7 H7B 109.2 . .
H7A C7 H7B 107.9 . .
N2 C8 C9 110.9(3) . .
N2 C8 H8A 109.5 . .
C9 C8 H8A 109.5 . .
N2 C8 H8B 109.5 . .
C9 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
N3 C9 C8 111.4(3) . .
N3 C9 H9A 109.3 . .
C8 C9 H9A 109.3 . .
N3 C9 H9B 109.3 . .
C8 C9 H9B 109.3 . .
H9A C9 H9B 108.0 . .
N3 C10 C11 113.0(4) . .
N3 C10 H10A 109.0 . .
C11 C10 H10A 109.0 . .
N3 C10 H10B 109.0 . .
C11 C10 H10B 109.0 . .
H10A C10 H10B 107.8 . .
N2 C11 C10 110.6(3) . .
N2 C11 H11A 109.5 . .
C10 C11 H11A 109.5 . .
N2 C11 H11B 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 108.1 . .
C12 O2 Mn1 133.3(3) . .
C14 O3 Mn1 133.1(4) . .
O2 C12 O2 124.7(5) 4_565 .
O2 C12 C13 117.6(2) 4_565 .
O2 C12 C13 117.6(2) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O3 C14 O3 126.3(7) . 4_565
O3 C14 C15 116.8(3) . .
O3 C14 C15 116.8(3) 4_565 .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O6 Mn2 O5 130.85(18) . .
O6 Mn2 N4 115.63(13) . .
O5 Mn2 N4 113.52(18) . .
O6 Mn2 O4 92.16(12) . .
O5 Mn2 O4 92.44(14) . .
N4 Mn2 O4 84.96(11) . .
O6 Mn2 N5 91.86(11) . .
O5 Mn2 N5 95.69(13) . .
N4 Mn2 N5 80.44(11) . .
O4 Mn2 N5 165.19(10) . .
O6 Mn2 Mn2 75.68(8) . 4_565
O5 Mn2 Mn2 75.90(11) . 4_565
N4 Mn2 Mn2 126.67(8) . 4_565
O4 Mn2 Mn2 41.72(6) . 4_565
N5 Mn2 Mn2 152.84(8) . 4_565
C21 O4 Mn2 131.67(7) . 4_565
C21 O4 Mn2 131.67(7) . .
Mn2 O4 Mn2 96.57(13) 4_565 .
C25 N4 C26 118.8(3) . .
C25 N4 Mn2 128.8(2) . .
C26 N4 Mn2 112.4(3) . .
C28 N5 C27 113.6(4) . .
C28 N5 C31 106.8(3) . .
C27 N5 C31 106.5(3) . .
C28 N5 Mn2 113.9(3) . .
C27 N5 Mn2 101.1(2) . .
C31 N5 Mn2 114.8(2) . .
C30 N6 C29 109.3(4) . .
O4 C21 C22 121.3(2) . .
O4 C21 C22 121.3(2) . 4_565
C22 C21 C22 117.4(4) . 4_565
C23 C22 C21 120.2(3) . .
C23 C22 C25 114.8(3) . .
C21 C22 C25 124.9(3) . .
C24 C23 C22 121.1(4) . .
C24 C23 H23 119.5 . .
C22 C23 H23 119.5 . .
C23 C24 C23 119.9(5) . 4_565
C23 C24 Cl2 120.0(3) . .
C23 C24 Cl2 120.0(3) 4_565 .
N4 C25 C22 128.2(3) . .
N4 C25 H25 115.9 . .
C22 C25 H25 115.9 . .
C27 C26 N4 110.6(3) . .
C27 C26 H26A 109.5 . .
N4 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
N4 C26 H26B 109.5 . .
H26A C26 H26B 108.1 . .
C26 C27 N5 113.2(4) . .
C26 C27 H27A 108.9 . .
N5 C27 H27A 108.9 . .
C26 C27 H27B 108.9 . .
N5 C27 H27B 108.9 . .
H27A C27 H27B 107.8 . .
C29 C28 N5 112.0(4) . .
C29 C28 H28A 109.2 . .
N5 C28 H28A 109.2 . .
C29 C28 H28B 109.2 . .
N5 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
N6 C29 C28 113.8(4) . .
N6 C29 H29A 108.8 . .
C28 C29 H29A 108.8 . .
N6 C29 H29B 108.8 . .
C28 C29 H29B 108.8 . .
H29A C29 H29B 107.7 . .
N6 C30 C31 110.6(4) . .
N6 C30 H30A 109.5 . .
C31 C30 H30A 109.5 . .
N6 C30 H30B 109.5 . .
C31 C30 H30B 109.5 . .
H30A C30 H30B 108.1 . .
C30 C31 N5 111.2(3) . .
C30 C31 H31A 109.4 . .
N5 C31 H31A 109.4 . .
C30 C31 H31B 109.4 . .
N5 C31 H31B 109.4 . .
H31A C31 H31B 108.0 . .
C32 O5 Mn2 129.0(4) . .
C34 O6 Mn2 130.8(3) . .
O5 C32 O5 129.1(7) . 4_565
O5 C32 C33 115.4(4) . .
O5 C32 C33 115.4(4) 4_565 .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O6 C34 O6 124.9(5) 4_565 .
O6 C34 C35 117.5(3) 4_565 .
O6 C34 C35 117.5(3) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C53 B1 C47 110.7(2) . .
C53 B1 C41 104.9(2) . .
C47 B1 C41 112.9(3) . .
C53 B1 C59 110.8(3) . .
C47 B1 C59 106.1(2) . .
C41 B1 C59 111.6(3) . .
C46 C41 C42 115.6(3) . .
C46 C41 B1 119.8(3) . .
C42 C41 B1 124.5(3) . .
C43 C42 C41 122.7(4) . .
C43 C42 H42 118.7 . .
C41 C42 H42 118.7 . .
C44 C43 C42 119.7(5) . .
C44 C43 H43 120.1 . .
C42 C43 H43 120.1 . .
C45 C44 C43 119.5(4) . .
C45 C44 H44 120.3 . .
C43 C44 H44 120.3 . .
C44 C45 C46 120.7(5) . .
C44 C45 H45 119.6 . .
C46 C45 H45 119.6 . .
C45 C46 C41 121.8(4) . .
C45 C46 H46 119.1 . .
C41 C46 H46 119.1 . .
C52 C47 C48 114.2(3) . .
C52 C47 B1 125.9(3) . .
C48 C47 B1 119.9(3) . .
C49 C48 C47 123.2(3) . .
C49 C48 H48 118.4 . .
C47 C48 H48 118.4 . .
C50 C49 C48 121.0(3) . .
C50 C49 H49 119.5 . .
C48 C49 H49 119.5 . .
C51 C50 C49 117.7(3) . .
C51 C50 H50 121.2 . .
C49 C50 H50 121.2 . .
C50 C51 C52 121.2(4) . .
C50 C51 H51 119.4 . .
C52 C51 H51 119.4 . .
C47 C52 C51 122.8(3) . .
C47 C52 H52 118.6 . .
C51 C52 H52 118.6 . .
C58 C53 C54 114.3(3) . .
C58 C53 B1 124.3(3) . .
C54 C53 B1 121.2(3) . .
C55 C54 C53 123.9(3) . .
C55 C54 H54 118.0 . .
C53 C54 H54 118.0 . .
C56 C55 C54 119.8(3) . .
C56 C55 H55 120.1 . .
C54 C55 H55 120.1 . .
C57 C56 C55 118.9(3) . .
C57 C56 H56 120.6 . .
C55 C56 H56 120.6 . .
C56 C57 C58 121.0(4) . .
C56 C57 H57 119.5 . .
C58 C57 H57 119.5 . .
C57 C58 C53 122.1(3) . .
C57 C58 H58 119.0 . .
C53 C58 H58 119.0 . .
C64 C59 C60 114.2(3) . .
C64 C59 B1 124.7(3) . .
C60 C59 B1 121.0(3) . .
C61 C60 C59 123.2(4) . .
C61 C60 H60 118.4 . .
C59 C60 H60 118.4 . .
C60 C61 C62 120.9(4) . .
C60 C61 H61 119.6 . .
C62 C61 H61 119.6 . .
C63 C62 C61 117.9(4) . .
C63 C62 H62 121.1 . .
C61 C62 H62 121.1 . .
C62 C63 C64 121.2(4) . .
C62 C63 H63 119.4 . .
C64 C63 H63 119.4 . .
C59 C64 C63 122.7(3) . .
C59 C64 H64 118.7 . .
C63 C64 H64 118.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.020(3) .
Mn1 O2 2.030(3) .
Mn1 N1 2.117(3) .
Mn1 O1 2.197(2) .
Mn1 N2 2.442(3) .
Cl1 C4 1.740(5) .
O1 C1 1.310(5) .
O1 Mn1 2.197(2) 4_565
N1 C5 1.266(4) .
N1 C6 1.474(4) .
N2 C7 1.470(4) .
N2 C8 1.474(5) .
N2 C11 1.478(4) .
N3 C10 1.392(5) .
N3 C9 1.408(5) .
C1 C2 1.427(4) 4_565
C1 C2 1.427(4) .
C2 C3 1.384(5) .
C2 C5 1.448(4) .
C3 C4 1.366(4) .
C3 H3 0.9300 .
C4 C3 1.366(4) 4_565
C5 H5 0.9300 .
C6 C7 1.499(5) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.504(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.490(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
O2 C12 1.241(3) .
O3 C14 1.237(4) .
C12 O2 1.241(3) 4_565
C12 C13 1.498(8) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 O3 1.237(4) 4_565
C14 C15 1.539(12) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
Mn2 O6 2.048(3) .
Mn2 O5 2.058(3) .
Mn2 N4 2.092(3) .
Mn2 O4 2.156(2) .
Mn2 N5 2.335(3) .
Mn2 Mn2 3.2193(10) 4_565
Cl2 C24 1.744(6) .
O4 C21 1.313(6) .
O4 Mn2 2.156(2) 4_565
N4 C25 1.258(5) .
N4 C26 1.487(4) .
N5 C28 1.470(5) .
N5 C27 1.476(5) .
N5 C31 1.503(5) .
N6 C30 1.361(6) .
N6 C29 1.425(6) .
C21 C22 1.416(4) .
C21 C22 1.416(4) 4_565
C22 C23 1.391(5) .
C22 C25 1.461(5) .
C23 C24 1.368(5) .
C23 H23 0.9300 .
C24 C23 1.368(5) 4_565
C25 H25 0.9300 .
C26 C27 1.470(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.447(7) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.500(7) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
O5 C32 1.228(5) .
O6 C34 1.244(4) .
C32 O5 1.228(5) 4_565
C32 C33 1.552(12) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 O6 1.244(4) 4_565
C34 C35 1.489(8) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
B1 C53 1.632(5) .
B1 C47 1.643(5) .
B1 C41 1.646(4) .
B1 C59 1.650(5) .
C41 C46 1.391(5) .
C41 C42 1.404(5) .
C42 C43 1.379(6) .
C42 H42 0.9300 .
C43 C44 1.369(8) .
C43 H43 0.9300 .
C44 C45 1.369(8) .
C44 H44 0.9300 .
C45 C46 1.385(5) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C52 1.386(5) .
C47 C48 1.391(4) .
C48 C49 1.382(5) .
C48 H48 0.9300 .
C49 C50 1.366(5) .
C49 H49 0.9300 .
C50 C51 1.363(5) .
C50 H50 0.9300 .
C51 C52 1.389(5) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C58 1.392(4) .
C53 C54 1.397(4) .
C54 C55 1.371(5) .
C54 H54 0.9300 .
C55 C56 1.367(6) .
C55 H55 0.9300 .
C56 C57 1.364(5) .
C56 H56 0.9300 .
C57 C58 1.391(5) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C59 C64 1.385(5) .
C59 C60 1.409(5) .
C60 C61 1.362(5) .
C60 H60 0.9300 .
C61 C62 1.377(6) .
C61 H61 0.9300 .
C62 C63 1.363(5) .
C62 H62 0.9300 .
C63 C64 1.387(5) .
C63 H63 0.9300 .
C64 H64 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_4
O3 Mn1 O1 C1 -124.3(4) . .
O2 Mn1 O1 C1 119.5(4) . .
N1 Mn1 O1 C1 -0.8(4) . .
N2 Mn1 O1 C1 -17.2(7) . .
O3 Mn1 O1 Mn1 56.24(17) . 4_565
O2 Mn1 O1 Mn1 -60.00(14) . 4_565
N1 Mn1 O1 Mn1 179.67(13) . 4_565
N2 Mn1 O1 Mn1 163.3(3) . 4_565
O3 Mn1 N1 C5 94.5(3) . .
O2 Mn1 N1 C5 -90.0(3) . .
O1 Mn1 N1 C5 0.8(3) . .
N2 Mn1 N1 C5 175.7(3) . .
O3 Mn1 N1 C6 -83.7(3) . .
O2 Mn1 N1 C6 91.8(3) . .
O1 Mn1 N1 C6 -177.4(2) . .
N2 Mn1 N1 C6 -2.5(2) . .
O3 Mn1 N2 C7 99.7(2) . .
O2 Mn1 N2 C7 -144.3(2) . .
N1 Mn1 N2 C7 -25.0(2) . .
O1 Mn1 N2 C7 -8.3(5) . .
O3 Mn1 N2 C8 -142.8(3) . .
O2 Mn1 N2 C8 -26.8(3) . .
N1 Mn1 N2 C8 92.5(2) . .
O1 Mn1 N2 C8 109.2(4) . .
O3 Mn1 N2 C11 -15.9(3) . .
O2 Mn1 N2 C11 100.1(2) . .
N1 Mn1 N2 C11 -140.6(2) . .
O1 Mn1 N2 C11 -123.9(4) . .
Mn1 O1 C1 C2 -0.7(6) 4_565 4_565
Mn1 O1 C1 C2 180.0(3) . 4_565
Mn1 O1 C1 C2 -180.0(3) 4_565 .
Mn1 O1 C1 C2 0.7(6) . .
O1 C1 C2 C3 176.9(4) . .
C2 C1 C2 C3 -2.5(7) 4_565 .
O1 C1 C2 C5 -0.1(7) . .
C2 C1 C2 C5 -179.5(2) 4_565 .
C1 C2 C3 C4 0.3(7) . .
C5 C2 C3 C4 177.6(4) . .
C2 C3 C4 C3 2.1(9) . 4_565
C2 C3 C4 Cl1 -175.9(3) . .
C6 N1 C5 C2 177.5(3) . .
Mn1 N1 C5 C2 -0.7(5) . .
C3 C2 C5 N1 -177.1(4) . .
C1 C2 C5 N1 0.1(6) . .
C5 N1 C6 C7 -148.0(3) . .
Mn1 N1 C6 C7 30.4(4) . .
C8 N2 C7 C6 -72.5(4) . .
C11 N2 C7 C6 170.8(3) . .
Mn1 N2 C7 C6 50.2(3) . .
N1 C6 C7 N2 -58.0(4) . .
C7 N2 C8 C9 -173.3(3) . .
C11 N2 C8 C9 -55.6(4) . .
Mn1 N2 C8 C9 75.2(3) . .
C10 N3 C9 C8 -59.0(5) . .
N2 C8 C9 N3 59.4(4) . .
C9 N3 C10 C11 59.5(5) . .
C7 N2 C11 C10 173.2(3) . .
C8 N2 C11 C10 54.9(4) . .
Mn1 N2 C11 C10 -76.7(4) . .
N3 C10 C11 N2 -59.1(5) . .
O3 Mn1 O2 C12 -69.7(5) . .
N1 Mn1 O2 C12 114.4(4) . .
O1 Mn1 O2 C12 28.3(5) . .
N2 Mn1 O2 C12 -164.1(4) . .
O2 Mn1 O3 C14 60.2(8) . .
N1 Mn1 O3 C14 -124.1(8) . .
O1 Mn1 O3 C14 -36.1(8) . .
N2 Mn1 O3 C14 161.0(8) . .
Mn1 O2 C12 O2 15.8(9) . 4_565
Mn1 O2 C12 C13 -163.1(5) . .
Mn1 O3 C14 O3 4.0(17) . 4_565
Mn1 O3 C14 C15 -175.1(7) . .
O6 Mn2 O4 C21 -111.1(4) . .
O5 Mn2 O4 C21 117.8(4) . .
N4 Mn2 O4 C21 4.4(4) . .
N5 Mn2 O4 C21 -5.5(8) . .
Mn2 Mn2 O4 C21 -176.6(5) 4_565 .
O6 Mn2 O4 Mn2 65.53(14) . 4_565
O5 Mn2 O4 Mn2 -65.53(19) . 4_565
N4 Mn2 O4 Mn2 -178.93(14) . 4_565
N5 Mn2 O4 Mn2 171.2(4) . 4_565
O6 Mn2 N4 C25 85.1(3) . .
O5 Mn2 N4 C25 -95.3(4) . .
O4 Mn2 N4 C25 -4.9(3) . .
N5 Mn2 N4 C25 172.6(4) . .
Mn2 Mn2 N4 C25 -5.7(4) 4_565 .
O6 Mn2 N4 C26 -93.2(3) . .
O5 Mn2 N4 C26 86.4(3) . .
O4 Mn2 N4 C26 176.8(3) . .
N5 Mn2 N4 C26 -5.7(3) . .
Mn2 Mn2 N4 C26 175.9(2) 4_565 .
O6 Mn2 N5 C28 -142.2(3) . .
O5 Mn2 N5 C28 -10.8(3) . .
N4 Mn2 N5 C28 102.1(3) . .
O4 Mn2 N5 C28 112.1(5) . .
Mn2 Mn2 N5 C28 -80.8(4) 4_565 .
O6 Mn2 N5 C27 95.6(3) . .
O5 Mn2 N5 C27 -133.0(3) . .
N4 Mn2 N5 C27 -20.1(3) . .
O4 Mn2 N5 C27 -10.1(6) . .
Mn2 Mn2 N5 C27 157.0(2) 4_565 .
O6 Mn2 N5 C31 -18.6(3) . .
O5 Mn2 N5 C31 112.8(3) . .
N4 Mn2 N5 C31 -134.2(3) . .
O4 Mn2 N5 C31 -124.2(5) . .
Mn2 Mn2 N5 C31 42.8(4) 4_565 .
Mn2 O4 C21 C22 -177.0(3) 4_565 .
Mn2 O4 C21 C22 -1.5(6) . .
Mn2 O4 C21 C22 1.5(6) 4_565 4_565
Mn2 O4 C21 C22 177.0(3) . 4_565
O4 C21 C22 C23 -179.4(4) . .
C22 C21 C22 C23 1.9(6) 4_565 .
O4 C21 C22 C25 -3.1(6) . .
C22 C21 C22 C25 178.3(2) 4_565 .
C21 C22 C23 C24 -0.2(6) . .
C25 C22 C23 C24 -176.9(4) . .
C22 C23 C24 C23 -1.7(9) . 4_565
C22 C23 C24 Cl2 177.6(4) . .
C26 N4 C25 C22 -179.0(4) . .
Mn2 N4 C25 C22 2.7(6) . .
C23 C22 C25 N4 179.1(4) . .
C21 C22 C25 N4 2.6(6) . .
C25 N4 C26 C27 -146.5(4) . .
Mn2 N4 C26 C27 32.0(5) . .
N4 C26 C27 N5 -54.4(6) . .
C28 N5 C27 C26 -77.7(5) . .
C31 N5 C27 C26 165.0(4) . .
Mn2 N5 C27 C26 44.7(4) . .
C27 N5 C28 C29 -169.0(4) . .
C31 N5 C28 C29 -51.9(5) . .
Mn2 N5 C28 C29 76.0(4) . .
C30 N6 C29 C28 -59.4(6) . .
N5 C28 C29 N6 56.2(6) . .
C29 N6 C30 C31 60.1(6) . .
N6 C30 C31 N5 -60.6(5) . .
C28 N5 C31 C30 53.9(4) . .
C27 N5 C31 C30 175.5(4) . .
Mn2 N5 C31 C30 -73.5(4) . .
O6 Mn2 O5 C32 -50.0(9) . .
N4 Mn2 O5 C32 130.5(8) . .
O4 Mn2 O5 C32 44.9(8) . .
N5 Mn2 O5 C32 -147.5(8) . .
Mn2 Mn2 O5 C32 6.3(8) 4_565 .
O5 Mn2 O6 C34 65.2(5) . .
N4 Mn2 O6 C34 -115.3(5) . .
O4 Mn2 O6 C34 -29.9(5) . .
N5 Mn2 O6 C34 164.4(5) . .
Mn2 Mn2 O6 C34 8.8(4) 4_565 .
Mn2 O5 C32 O5 -14.3(18) . 4_565
Mn2 O5 C32 C33 162.0(6) . .
Mn2 O6 C34 O6 -18.7(9) . 4_565
Mn2 O6 C34 C35 159.3(5) . .
C53 B1 C41 C46 62.0(4) . .
C47 B1 C41 C46 -58.6(4) . .
C59 B1 C41 C46 -177.9(3) . .
C53 B1 C41 C42 -112.7(3) . .
C47 B1 C41 C42 126.7(3) . .
C59 B1 C41 C42 7.4(4) . .
C46 C41 C42 C43 0.8(5) . .
B1 C41 C42 C43 175.7(3) . .
C41 C42 C43 C44 1.4(6) . .
C42 C43 C44 C45 -3.2(7) . .
C43 C44 C45 C46 2.9(7) . .
C44 C45 C46 C41 -0.6(6) . .
C42 C41 C46 C45 -1.2(5) . .
B1 C41 C46 C45 -176.3(3) . .
C53 B1 C47 C52 -107.9(3) . .
C41 B1 C47 C52 9.3(4) . .
C59 B1 C47 C52 131.8(3) . .
C53 B1 C47 C48 70.6(4) . .
C41 B1 C47 C48 -172.2(3) . .
C59 B1 C47 C48 -49.7(4) . .
C52 C47 C48 C49 -0.9(5) . .
B1 C47 C48 C49 -179.6(3) . .
C47 C48 C49 C50 0.6(5) . .
C48 C49 C50 C51 0.1(5) . .
C49 C50 C51 C52 -0.5(6) . .
C48 C47 C52 C51 0.6(5) . .
B1 C47 C52 C51 179.1(3) . .
C50 C51 C52 C47 0.1(6) . .
C47 B1 C53 C58 11.1(4) . .
C41 B1 C53 C58 -111.0(3) . .
C59 B1 C53 C58 128.5(3) . .
C47 B1 C53 C54 -173.7(3) . .
C41 B1 C53 C54 64.2(4) . .
C59 B1 C53 C54 -56.3(4) . .
C58 C53 C54 C55 -2.5(5) . .
B1 C53 C54 C55 -178.1(3) . .
C53 C54 C55 C56 2.2(6) . .
C54 C55 C56 C57 -0.2(6) . .
C55 C56 C57 C58 -1.1(6) . .
C56 C57 C58 C53 0.7(6) . .
C54 C53 C58 C57 1.0(5) . .
B1 C53 C58 C57 176.5(3) . .
C53 B1 C59 C64 -11.3(4) . .
C47 B1 C59 C64 108.8(3) . .
C41 B1 C59 C64 -127.9(3) . .
C53 B1 C59 C60 172.3(3) . .
C47 B1 C59 C60 -67.6(4) . .
C41 B1 C59 C60 55.7(4) . .
C64 C59 C60 C61 2.5(5) . .
B1 C59 C60 C61 179.2(3) . .
C59 C60 C61 C62 -1.7(6) . .
C60 C61 C62 C63 -0.8(6) . .
C61 C62 C63 C64 2.5(6) . .
C60 C59 C64 C63 -0.8(5) . .
B1 C59 C64 C63 -177.4(3) . .
C62 C63 C64 C59 -1.7(6) . .
