#------------------------------------------------------------------------------
#$Date: 2019-12-12 12:17:13 +0200 (Thu, 12 Dec 2019) $
#$Revision: 245013 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556525.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_1556525
loop_
_publ_author_name
'Sukhikh, T.S.'
'Vostrikova, K.E.'
_publ_section_title
;
 Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)
;
_journal_name_full               Inorganics
_journal_page_first              59
_journal_paper_doi               10.3390/inorganics5030059
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety
'2(C118.5 H112 Mn6 N22.5 O14 Re1.5), 2(Cl0.25 O0.5), 1.5(Cl), F6 P, O'
_chemical_formula_sum            'C237 H224 Cl2 F6 Mn12 N45 O30 P Re3'
_chemical_formula_weight         5616.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                94.4470(10)
_cell_angle_beta                 93.2230(10)
_cell_angle_gamma                94.1440(10)
_cell_formula_units_Z            1
_cell_length_a                   13.8130(3)
_cell_length_b                   15.0609(3)
_cell_length_c                   30.1361(7)
_cell_measurement_reflns_used    5205
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.69
_cell_measurement_theta_min      2.37
_cell_volume                     6222.1(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_av_unetI/netI     0.1284
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            53423
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.083
_diffrn_reflns_theta_max         25.083
_diffrn_reflns_theta_min         1.667
_exptl_absorpt_coefficient_mu    2.143
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6450
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_meas      .
_exptl_crystal_description       plate
_exptl_crystal_F_000             2829
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.416
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1593
_refine_ls_number_reflns         22053
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0550P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1331
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13745
_reflns_number_total             22053
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cd4_kv836.cif
_cod_data_source_block           kv836_1_kv
_cod_database_code               1556525
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C815-Re2
 2.1 with sigma of 0.02
 C810-Re2
 2.1 with sigma of 0.02
 N815-C815
 1.16 with sigma of 0.02
 C813-N813
 1.16 with sigma of 0.02
 Re2-C810 = Re2-C811 = Re2-C815 = Re2-C814 = Re2-C816
 2.1 with sigma of 0.02
 N811-C811 = N810-C810 = N814-C814 = N815-C815 = N813-C813 = N816-C816
 1.16 with sigma of 0.002
 C812-Re2
 2.1 with sigma of 0.02
 C812-N812
 1.16 with sigma of 0.002
 C811-N811
 1.16 with sigma of 0.02
 C810-N810
 1.16 with sigma of 0.02
 Re2-C813
 2.1 with sigma of 0.02
 Re2-N816
 3.25 with sigma of 0.04
 Re2-N815
 3.25 with sigma of 0.04
 Re2-N814
 3.25 with sigma of 0.04
 Re2-N811
 3.25 with sigma of 0.04
 Re2-N810
 3.25 with sigma of 0.04
 N812-Re2
 3.25 with sigma of 0.04
 N813-Re2
 3.25 with sigma of 0.04
3. Others
 Fixed Sof: C814(0.5) Re2(0.5) N810(0.5) N811(0.5) N812(0.5) N813(0.5)
 N814(0.5) N815(0.5) N816(0.5) C810(0.5) C811(0.5) C812(0.5) C813(0.5)
 C815(0.5) C816(0.5) Cl2(0.25) Cl3(0.25) O2S(0.5) Cl1(0.5) O1S(0.5)
4.a Rotating group:
 O53(H53A,H53B), O63(H63A,H63B)
4.b Secondary CH2 refined with riding coordinates:
 C118(H11A,H11B), C119(H11F,H11G), C218(H21F,H21G), C219(H21A,H21B), C318(H31F,
 H31G), C319(H31D,H31E), C418(H41F,H41G), C419(H41D,H41E), C518(H51A,H51B),
 C519(H51F,H51G), C618(H61A,H61B), C619(H61F,H61G)
4.c Aromatic/amide H refined with riding coordinates:
 C111(H111), C112(H112), C115(H115), C117(H117), C120(H120), C123(H123),
 C124(H124), C127(H127), C211(H211), C212(H212), C215(H215), C217(H217),
 C220(H220), C223(H223), C224(H224), C227(H227), C311(H311), C312(H312),
 C315(H315), C317(H317), C320(H320), C323(H323), C324(H324), C327(H327),
 C411(H411), C412(H412), C415(H415), C417(H417), C420(H420), C423(H423),
 C424(H424), C427(H427), C511(H511), C512(H512), C515(H515), C517(H517),
 C520(H520), C523(H523), C524(H524), C527(H527), C611(H611), C612(H612),
 C615(H615), C617(H617), C620(H620), C623(H623), C624(H624), C627(H627)
4.d Idealised Me refined as rotating group:
 C114(H11C,H11D,H11E), C126(H12A,H12B,H12C), C214(H21C,H21D,H21E), C226(H22A,
 H22B,H22C), C314(H31A,H31B,H31C), C326(H32A,H32B,H32C), C414(H41A,H41B,H41C),
 C426(H42A,H42B,H42C), C514(H51C,H51D,H51E), C526(H52A,H52B,H52C), C614(H61C,
 H61D,H61E), C626(H62A,H62B,H62C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Re1 Re 0.41107(2) 0.35476(2) 0.28699(2) 0.02520(9) Uani 1 1 d . . . . .
Mn1 Mn 0.37401(8) 0.25850(7) 0.11015(4) 0.0414(3) Uani 1 1 d . . . . .
Mn2 Mn 0.49672(8) 0.49421(6) 0.44272(4) 0.0341(3) Uani 1 1 d . . . . .
Mn3 Mn 0.79263(8) 0.36508(6) 0.28598(4) 0.0333(3) Uani 1 1 d . . . . .
Mn4 Mn 0.04921(8) 0.38143(6) 0.25973(4) 0.0357(3) Uani 1 1 d . . . . .
Mn5 Mn 0.45002(8) 0.02506(6) 0.28456(4) 0.0399(3) Uani 1 1 d . . . . .
Mn6 Mn 0.41721(8) 0.69309(6) 0.25359(4) 0.0354(3) Uani 1 1 d . . . . .
O11 O 0.3383(4) 0.3535(4) 0.07761(18) 0.0523(14) Uani 1 1 d . . . . .
O12 O 0.2464(4) 0.2093(3) 0.11209(19) 0.0563(16) Uani 1 1 d . . . . .
O21 O 0.5308(3) 0.4137(3) 0.48553(15) 0.0392(12) Uani 1 1 d . . . . .
O22 O 0.6194(3) 0.5558(3) 0.44460(16) 0.0380(12) Uani 1 1 d . . . . .
O31 O 0.8170(3) 0.2710(3) 0.32085(17) 0.0380(12) Uani 1 1 d . . . . .
O32 O 0.8525(4) 0.3146(3) 0.23660(17) 0.0448(13) Uani 1 1 d . . . . .
O41 O 0.0213(3) 0.4768(3) 0.22648(17) 0.0367(12) Uani 1 1 d . . . . .
O42 O -0.0149(4) 0.4263(3) 0.30948(17) 0.0421(13) Uani 1 1 d . . . . .
O51 O 0.5077(4) -0.0183(3) 0.23391(18) 0.0476(14) Uani 1 1 d . . . . .
O52 O 0.3331(4) -0.0454(3) 0.26955(18) 0.0477(14) Uani 1 1 d . . . . .
O53 O 0.5044(4) -0.0977(3) 0.32018(18) 0.0562(15) Uani 1 1 d . . . . .
H53A H 0.5450 -0.1256 0.3036 0.084 Uiso 1 1 d GR . . . .
H53B H 0.4538 -0.1348 0.3237 0.084 Uiso 1 1 d GR . . . .
O61 O 0.3725(4) 0.7480(3) 0.30660(16) 0.0395(12) Uani 1 1 d . . . . .
O62 O 0.5416(4) 0.7522(3) 0.26397(18) 0.0467(14) Uani 1 1 d . . . . .
O63 O 0.3564(4) 0.8022(3) 0.21446(19) 0.0601(16) Uani 1 1 d . . . . .
H63A H 0.4005 0.8222 0.1968 0.090 Uiso 1 1 d GR . . . .
H63B H 0.3419 0.8472 0.2330 0.090 Uiso 1 1 d GR . . . .
N11 N 0.5139(5) 0.2991(4) 0.1109(2) 0.0458(17) Uani 1 1 d . . . . .
N12 N 0.4260(4) 0.1642(4) 0.1447(2) 0.0418(16) Uani 1 1 d . . . . .
N21 N 0.3587(4) 0.4461(4) 0.44164(19) 0.0377(15) Uani 1 1 d . . . . .
N22 N 0.4384(4) 0.5824(3) 0.40595(18) 0.0309(14) Uani 1 1 d . . . . .
N31 N 0.7546(4) 0.4396(3) 0.3383(2) 0.0341(14) Uani 1 1 d . . . . .
N32 N 0.7885(4) 0.4799(3) 0.2578(2) 0.0374(15) Uani 1 1 d . . . . .
N41 N 0.0945(4) 0.3133(3) 0.2073(2) 0.0375(15) Uani 1 1 d . . . . .
N42 N 0.0608(4) 0.2672(4) 0.2863(2) 0.0419(16) Uani 1 1 d . . . . .
N51 N 0.5718(5) 0.0958(4) 0.3078(2) 0.0456(17) Uani 1 1 d . . . . .
N52 N 0.4072(5) 0.0638(3) 0.3442(2) 0.0416(16) Uani 1 1 d . . . . .
N61 N 0.2889(4) 0.6269(3) 0.2381(2) 0.0359(15) Uani 1 1 d . . . . .
N62 N 0.4465(5) 0.6414(3) 0.1938(2) 0.0441(17) Uani 1 1 d . . . . .
N710 N 0.2851(5) 0.2575(4) 0.3594(2) 0.0486(18) Uani 1 1 d . . . . .
N711 N 0.3706(5) 0.3437(4) 0.1784(2) 0.0467(17) Uani 1 1 d . . . . .
N712 N 0.5191(4) 0.4066(4) 0.3839(2) 0.0400(15) Uani 1 1 d . . . . .
N713 N 0.6387(5) 0.3289(4) 0.2670(2) 0.0420(16) Uani 1 1 d . . . . .
N714 N 0.1971(5) 0.4266(4) 0.2822(2) 0.0394(15) Uani 1 1 d . . . . .
N715 N 0.3956(5) 0.1437(4) 0.2580(2) 0.0475(17) Uani 1 1 d . . . . .
N716 N 0.4630(4) 0.5688(4) 0.2831(2) 0.0425(16) Uani 1 1 d . . . . .
C110 C 0.3906(7) 0.4265(6) 0.0700(3) 0.056(2) Uani 1 1 d . . . . .
C111 C 0.3473(8) 0.4971(6) 0.0505(3) 0.072(3) Uani 1 1 d . . . . .
H111 H 0.2793 0.4904 0.0429 0.086 Uiso 1 1 calc R . . . .
C112 C 0.3974(10) 0.5741(6) 0.0420(3) 0.082(3) Uani 1 1 d . . . . .
H112 H 0.3635 0.6202 0.0299 0.099 Uiso 1 1 calc R . . . .
C113 C 0.4975(10) 0.5866(6) 0.0507(3) 0.071(3) Uani 1 1 d . . . . .
C114 C 0.5533(9) 0.6723(6) 0.0390(3) 0.097(4) Uani 1 1 d . . . . .
H11C H 0.5727 0.6644 0.0082 0.145 Uiso 1 1 calc GR . . . .
H11D H 0.6114 0.6852 0.0593 0.145 Uiso 1 1 calc GR . . . .
H11E H 0.5116 0.7220 0.0419 0.145 Uiso 1 1 calc GR . . . .
C115 C 0.5433(8) 0.5186(6) 0.0687(3) 0.067(3) Uani 1 1 d . . . . .
H115 H 0.6119 0.5256 0.0742 0.080 Uiso 1 1 calc R . . . .
C116 C 0.4930(7) 0.4390(5) 0.0791(3) 0.051(2) Uani 1 1 d . . . . .
C117 C 0.5483(7) 0.3726(6) 0.0973(3) 0.059(2) Uani 1 1 d . . . . .
H117 H 0.6170 0.3840 0.0994 0.071 Uiso 1 1 calc R . . . .
C118 C 0.5792(6) 0.2336(5) 0.1275(3) 0.060(2) Uani 1 1 d . . . . .
H11A H 0.6406 0.2647 0.1411 0.071 Uiso 1 1 calc R . . . .
H11B H 0.5951 0.1914 0.1026 0.071 Uiso 1 1 calc R . . . .
C119 C 0.5274(6) 0.1841(5) 0.1616(3) 0.051(2) Uani 1 1 d . . . . .
H11F H 0.5582 0.1280 0.1665 0.062 Uiso 1 1 calc R . . . .
H11G H 0.5305 0.2212 0.1903 0.062 Uiso 1 1 calc R . . . .
C120 C 0.3791(6) 0.0907(5) 0.1517(3) 0.053(2) Uani 1 1 d . . . . .
H120 H 0.4127 0.0500 0.1682 0.064 Uiso 1 1 calc R . . . .
C121 C 0.2812(6) 0.0648(5) 0.1369(3) 0.052(2) Uani 1 1 d . . . . .
C122 C 0.2207(6) 0.1234(6) 0.1172(3) 0.052(2) Uani 1 1 d . . . . .
C123 C 0.1251(7) 0.0898(7) 0.1032(3) 0.069(3) Uani 1 1 d . . . . .
H123 H 0.0812 0.1281 0.0906 0.083 Uiso 1 1 calc R . . . .
C124 C 0.0939(8) 0.0002(8) 0.1078(4) 0.089(4) Uani 1 1 d . . . . .
H124 H 0.0301 -0.0221 0.0970 0.107 Uiso 1 1 calc R . . . .
C125 C 0.1538(9) -0.0551(7) 0.1273(4) 0.087(3) Uani 1 1 d . . . . .
C126 C 0.1135(9) -0.1504(7) 0.1304(5) 0.138(6) Uani 1 1 d . . . . .
H12A H 0.1647 -0.1851 0.1425 0.207 Uiso 1 1 calc GR . . . .
H12B H 0.0905 -0.1769 0.1006 0.207 Uiso 1 1 calc GR . . . .
H12C H 0.0593 -0.1511 0.1500 0.207 Uiso 1 1 calc GR . . . .
C127 C 0.2452(7) -0.0220(6) 0.1417(3) 0.074(3) Uani 1 1 d . . . . .
H127 H 0.2867 -0.0605 0.1557 0.089 Uiso 1 1 calc R . . . .
C210 C 0.4912(6) 0.3302(4) 0.4841(2) 0.0367(18) Uani 1 1 d . . . . .
C211 C 0.5448(7) 0.2661(5) 0.5020(3) 0.057(2) Uani 1 1 d . . . . .
H211 H 0.6104 0.2813 0.5128 0.069 Uiso 1 1 calc R . . . .
C212 C 0.5032(8) 0.1781(6) 0.5045(3) 0.074(3) Uani 1 1 d . . . . .
H212 H 0.5415 0.1355 0.5172 0.089 Uiso 1 1 calc R . . . .
C213 C 0.4087(8) 0.1524(5) 0.4890(3) 0.065(3) Uani 1 1 d . . . . .
C214 C 0.3648(8) 0.0583(5) 0.4915(4) 0.096(4) Uani 1 1 d . . . . .
H21C H 0.2939 0.0569 0.4865 0.144 Uiso 1 1 calc GR . . . .
H21D H 0.3811 0.0384 0.5210 0.144 Uiso 1 1 calc GR . . . .
H21E H 0.3908 0.0185 0.4686 0.144 Uiso 1 1 calc GR . . . .
C215 C 0.3553(7) 0.2152(5) 0.4703(3) 0.054(2) Uani 1 1 d . . . . .
H215 H 0.2902 0.1987 0.4592 0.065 Uiso 1 1 calc R . . . .
C216 C 0.3952(6) 0.3042(5) 0.4672(3) 0.047(2) Uani 1 1 d . . . . .
C217 C 0.3317(5) 0.3666(5) 0.4493(2) 0.0380(18) Uani 1 1 d . . . . .
H217 H 0.2652 0.3468 0.4429 0.046 Uiso 1 1 calc R . . . .
C218 C 0.2888(5) 0.5075(5) 0.4250(3) 0.043(2) Uani 1 1 d . . . . .
H21F H 0.2728 0.5507 0.4495 0.051 Uiso 1 1 calc R . . . .
H21G H 0.2279 0.4737 0.4126 0.051 Uiso 1 1 calc R . . . .
C219 C 0.3371(5) 0.5553(5) 0.3895(3) 0.0422(19) Uani 1 1 d . . . . .
H21A H 0.3362 0.5153 0.3617 0.051 Uiso 1 1 calc R . . . .
H21B H 0.3025 0.6085 0.3829 0.051 Uiso 1 1 calc R . . . .
C220 C 0.4831(6) 0.6516(5) 0.3920(3) 0.043(2) Uani 1 1 d . . . . .
H220 H 0.4477 0.6847 0.3719 0.052 Uiso 1 1 calc R . . . .
C221 C 0.5823(5) 0.6829(5) 0.4043(2) 0.0401(19) Uani 1 1 d . . . . .
C222 C 0.6452(5) 0.6342(5) 0.4299(2) 0.0408(19) Uani 1 1 d . . . . .
C223 C 0.7396(5) 0.6722(5) 0.4384(3) 0.049(2) Uani 1 1 d . . . . .
H223 H 0.7859 0.6395 0.4534 0.059 Uiso 1 1 calc R . . . .
C224 C 0.7685(6) 0.7557(7) 0.4258(3) 0.066(3) Uani 1 1 d . . . . .
H224 H 0.8325 0.7807 0.4345 0.079 Uiso 1 1 calc R . . . .
C225 C 0.7071(7) 0.8040(6) 0.4010(3) 0.061(2) Uani 1 1 d . . . . .
C226 C 0.7404(8) 0.8964(7) 0.3878(4) 0.105(4) Uani 1 1 d . . . . .
H22A H 0.6859 0.9224 0.3727 0.157 Uiso 1 1 calc GR . . . .
H22B H 0.7934 0.8914 0.3677 0.157 Uiso 1 1 calc GR . . . .
H22C H 0.7635 0.9349 0.4146 0.157 Uiso 1 1 calc GR . . . .
C227 C 0.6157(7) 0.7654(5) 0.3902(3) 0.061(2) Uani 1 1 d . . . . .
H227 H 0.5726 0.7958 0.3721 0.073 Uiso 1 1 calc R . . . .
C310 C 0.8084(5) 0.2640(5) 0.3633(3) 0.0394(19) Uani 1 1 d . . . . .
C311 C 0.8320(6) 0.1851(5) 0.3817(3) 0.055(2) Uani 1 1 d . . . . .
H311 H 0.8526 0.1376 0.3628 0.067 Uiso 1 1 calc R . . . .
C312 C 0.8264(7) 0.1747(6) 0.4255(4) 0.074(3) Uani 1 1 d . . . . .
H312 H 0.8446 0.1203 0.4364 0.089 Uiso 1 1 calc R . . . .
C313 C 0.7944(6) 0.2416(7) 0.4565(3) 0.071(3) Uani 1 1 d . . . . .
C314 C 0.7950(8) 0.2276(8) 0.5055(4) 0.112(4) Uani 1 1 d . . . . .
H31A H 0.7816 0.2833 0.5223 0.168 Uiso 1 1 calc GR . . . .
H31B H 0.8588 0.2098 0.5157 0.168 Uiso 1 1 calc GR . . . .
H31C H 0.7448 0.1806 0.5104 0.168 Uiso 1 1 calc GR . . . .
C315 C 0.7691(6) 0.3174(6) 0.4384(3) 0.064(3) Uani 1 1 d . . . . .
H315 H 0.7470 0.3638 0.4575 0.077 Uiso 1 1 calc R . . . .
C316 C 0.7737(5) 0.3307(5) 0.3930(3) 0.0431(19) Uani 1 1 d . . . . .
C317 C 0.7487(5) 0.4147(5) 0.3778(3) 0.042(2) Uani 1 1 d . . . . .
H317 H 0.7254 0.4562 0.3993 0.050 Uiso 1 1 calc R . . . .
C318 C 0.7195(6) 0.5253(4) 0.3268(3) 0.048(2) Uani 1 1 d . . . . .
H31F H 0.7274 0.5695 0.3531 0.057 Uiso 1 1 calc R . . . .
H31G H 0.6498 0.5175 0.3166 0.057 Uiso 1 1 calc R . . . .
C319 C 0.7796(6) 0.5566(5) 0.2901(3) 0.055(2) Uani 1 1 d . . . . .
H31D H 0.7478 0.6043 0.2753 0.067 Uiso 1 1 calc R . . . .
H31E H 0.8448 0.5810 0.3025 0.067 Uiso 1 1 calc R . . . .
C320 C 0.7942(5) 0.4881(5) 0.2157(3) 0.047(2) Uani 1 1 d . . . . .
H320 H 0.7875 0.5457 0.2056 0.056 Uiso 1 1 calc R . . . .
C321 C 0.8097(5) 0.4179(6) 0.1833(3) 0.044(2) Uani 1 1 d . . . . .
C322 C 0.8362(5) 0.3343(5) 0.1949(3) 0.045(2) Uani 1 1 d . . . . .
C323 C 0.8530(6) 0.2706(6) 0.1605(3) 0.058(2) Uani 1 1 d . . . . .
H323 H 0.8693 0.2127 0.1672 0.069 Uiso 1 1 calc R . . . .
C324 C 0.8460(7) 0.2918(8) 0.1168(3) 0.077(3) Uani 1 1 d . . . . .
H324 H 0.8576 0.2476 0.0939 0.093 Uiso 1 1 calc R . . . .
C325 C 0.8227(7) 0.3753(9) 0.1050(3) 0.079(3) Uani 1 1 d . . . . .
C326 C 0.8179(8) 0.3962(9) 0.0558(3) 0.115(4) Uani 1 1 d . . . . .
H32A H 0.8814 0.3889 0.0435 0.172 Uiso 1 1 calc GR . . . .
H32B H 0.8010 0.4578 0.0536 0.172 Uiso 1 1 calc GR . . . .
H32C H 0.7685 0.3552 0.0389 0.172 Uiso 1 1 calc GR . . . .
C327 C 0.8048(6) 0.4375(6) 0.1382(3) 0.060(2) Uani 1 1 d . . . . .
H327 H 0.7888 0.4951 0.1309 0.072 Uiso 1 1 calc R . . . .
C410 C 0.0386(5) 0.4894(5) 0.1847(3) 0.0405(19) Uani 1 1 d . . . . .
C411 C 0.0185(6) 0.5716(5) 0.1692(3) 0.053(2) Uani 1 1 d . . . . .
H411 H -0.0078 0.6152 0.1886 0.064 Uiso 1 1 calc R . . . .
C412 C 0.0360(6) 0.5900(6) 0.1269(3) 0.059(2) Uani 1 1 d . . . . .
H412 H 0.0232 0.6471 0.1177 0.070 Uiso 1 1 calc R . . . .
C413 C 0.0718(6) 0.5289(6) 0.0966(3) 0.061(2) Uani 1 1 d . . . . .
C414 C 0.0898(8) 0.5512(7) 0.0502(3) 0.096(4) Uani 1 1 d . . . . .
H41A H 0.0320 0.5757 0.0370 0.144 Uiso 1 1 calc GR . . . .
H41B H 0.1037 0.4971 0.0322 0.144 Uiso 1 1 calc GR . . . .
H41C H 0.1455 0.5956 0.0509 0.144 Uiso 1 1 calc GR . . . .
C415 C 0.0928(6) 0.4484(6) 0.1111(3) 0.054(2) Uani 1 1 d . . . . .
H415 H 0.1191 0.4059 0.0912 0.064 Uiso 1 1 calc R . . . .
C416 C 0.0765(5) 0.4264(5) 0.1550(3) 0.0407(19) Uani 1 1 d . . . . .
C417 C 0.1027(5) 0.3414(5) 0.1684(3) 0.045(2) Uani 1 1 d . . . . .
H417 H 0.1284 0.3024 0.1465 0.054 Uiso 1 1 calc R . . . .
C418 C 0.1326(6) 0.2276(4) 0.2176(3) 0.052(2) Uani 1 1 d . . . . .
H41F H 0.1255 0.1849 0.1907 0.063 Uiso 1 1 calc R . . . .
H41G H 0.2024 0.2369 0.2274 0.063 Uiso 1 1 calc R . . . .
C419 C 0.0765(6) 0.1922(5) 0.2532(3) 0.059(2) Uani 1 1 d . . . . .
H41D H 0.1125 0.1468 0.2678 0.070 Uiso 1 1 calc R . . . .
H41E H 0.0131 0.1635 0.2406 0.070 Uiso 1 1 calc R . . . .
C420 C 0.0627(6) 0.2580(5) 0.3284(3) 0.048(2) Uani 1 1 d . . . . .
H420 H 0.0779 0.2016 0.3378 0.057 Uiso 1 1 calc R . . . .
C421 C 0.0439(5) 0.3252(5) 0.3619(3) 0.043(2) Uani 1 1 d . . . . .
C422 C 0.0074(5) 0.4071(5) 0.3511(3) 0.043(2) Uani 1 1 d . . . . .
C423 C -0.0100(6) 0.4680(6) 0.3861(3) 0.059(2) Uani 1 1 d . . . . .
H423 H -0.0315 0.5247 0.3802 0.071 Uiso 1 1 calc R . . . .
C424 C 0.0040(7) 0.4463(8) 0.4296(3) 0.078(3) Uani 1 1 d . . . . .
H424 H -0.0084 0.4888 0.4532 0.094 Uiso 1 1 calc R . . . .
C425 C 0.0357(7) 0.3641(8) 0.4402(3) 0.070(3) Uani 1 1 d . . . . .
C426 C 0.0405(8) 0.3418(8) 0.4879(3) 0.112(4) Uani 1 1 d . . . . .
H42A H 0.0872 0.3845 0.5055 0.169 Uiso 1 1 calc GR . . . .
H42B H 0.0612 0.2813 0.4896 0.169 Uiso 1 1 calc GR . . . .
H42C H -0.0239 0.3451 0.4998 0.169 Uiso 1 1 calc GR . . . .
C427 C 0.0557(6) 0.3061(6) 0.4060(3) 0.057(2) Uani 1 1 d . . . . .
H427 H 0.0786 0.2502 0.4125 0.068 Uiso 1 1 calc R . . . .
C510 C 0.5985(6) -0.0073(4) 0.2227(3) 0.045(2) Uani 1 1 d . . . . .
C511 C 0.6244(7) -0.0511(5) 0.1842(3) 0.062(3) Uani 1 1 d . . . . .
H511 H 0.5778 -0.0910 0.1670 0.074 Uiso 1 1 calc R . . . .
C512 C 0.7170(8) -0.0383(5) 0.1700(3) 0.069(3) Uani 1 1 d . . . . .
H512 H 0.7315 -0.0674 0.1423 0.083 Uiso 1 1 calc R . . . .
C513 C 0.7900(7) 0.0153(6) 0.1945(4) 0.073(3) Uani 1 1 d . . . . .
C514 C 0.8919(7) 0.0239(7) 0.1772(5) 0.116(5) Uani 1 1 d . . . . .
H51C H 0.8928 -0.0128 0.1489 0.175 Uiso 1 1 calc GR . . . .
H51D H 0.9387 0.0036 0.1991 0.175 Uiso 1 1 calc GR . . . .
H51E H 0.9095 0.0865 0.1725 0.175 Uiso 1 1 calc GR . . . .
C515 C 0.7643(6) 0.0577(5) 0.2327(4) 0.068(3) Uani 1 1 d . . . . .
H515 H 0.8122 0.0958 0.2502 0.081 Uiso 1 1 calc R . . . .
C516 C 0.6714(6) 0.0483(5) 0.2477(3) 0.050(2) Uani 1 1 d . . . . .
C517 C 0.6517(6) 0.0984(5) 0.2886(3) 0.051(2) Uani 1 1 d . . . . .
H517 H 0.7036 0.1373 0.3027 0.061 Uiso 1 1 calc R . . . .
C518 C 0.5571(7) 0.1532(5) 0.3487(3) 0.057(2) Uani 1 1 d . . . . .
H51A H 0.5330 0.2104 0.3405 0.069 Uiso 1 1 calc R . . . .
H51B H 0.6196 0.1665 0.3665 0.069 Uiso 1 1 calc R . . . .
C519 C 0.4851(7) 0.1059(5) 0.3754(3) 0.061(2) Uani 1 1 d . . . . .
H51F H 0.5164 0.0602 0.3919 0.074 Uiso 1 1 calc R . . . .
H51G H 0.4586 0.1489 0.3972 0.074 Uiso 1 1 calc R . . . .
C520 C 0.3178(7) 0.0594(4) 0.3546(3) 0.050(2) Uani 1 1 d . . . . .
H520 H 0.3041 0.0873 0.3827 0.060 Uiso 1 1 calc R . . . .
C521 C 0.2371(6) 0.0155(5) 0.3270(3) 0.048(2) Uani 1 1 d . . . . .
C522 C 0.2476(6) -0.0334(4) 0.2860(3) 0.050(2) Uani 1 1 d . . . . .
C523 C 0.1638(6) -0.0754(5) 0.2630(3) 0.066(3) Uani 1 1 d . . . . .
H523 H 0.1691 -0.1090 0.2353 0.079 Uiso 1 1 calc R . . . .
C524 C 0.0751(8) -0.0689(6) 0.2796(4) 0.087(3) Uani 1 1 d . . . . .
H524 H 0.0199 -0.0984 0.2631 0.104 Uiso 1 1 calc R . . . .
C525 C 0.0614(7) -0.0206(6) 0.3199(4) 0.073(3) Uani 1 1 d . . . . .
C526 C -0.0391(7) -0.0168(7) 0.3369(5) 0.121(5) Uani 1 1 d . . . . .
H52A H -0.0797 0.0147 0.3166 0.181 Uiso 1 1 calc GR . . . .
H52B H -0.0346 0.0149 0.3667 0.181 Uiso 1 1 calc GR . . . .
H52C H -0.0683 -0.0777 0.3385 0.181 Uiso 1 1 calc GR . . . .
C527 C 0.1431(7) 0.0199(5) 0.3430(3) 0.064(3) Uani 1 1 d . . . . .
H527 H 0.1364 0.0521 0.3709 0.077 Uiso 1 1 calc R . . . .
C610 C 0.2830(6) 0.7447(4) 0.3210(3) 0.042(2) Uani 1 1 d . . . . .
C611 C 0.2652(7) 0.7982(4) 0.3591(3) 0.048(2) Uani 1 1 d . . . . .
H611 H 0.3167 0.8365 0.3739 0.058 Uiso 1 1 calc R . . . .
C612 C 0.1750(8) 0.7966(5) 0.3754(3) 0.066(3) Uani 1 1 d . . . . .
H612 H 0.1648 0.8353 0.4009 0.079 Uiso 1 1 calc R . . . .
C613 C 0.0980(7) 0.7404(6) 0.3562(4) 0.069(3) Uani 1 1 d . . . . .
C614 C -0.0015(8) 0.7363(7) 0.3759(4) 0.117(5) Uani 1 1 d . . . . .
H61C H -0.0056 0.6885 0.3962 0.175 Uiso 1 1 calc GR . . . .
H61D H -0.0525 0.7241 0.3518 0.175 Uiso 1 1 calc GR . . . .
H61E H -0.0104 0.7935 0.3923 0.175 Uiso 1 1 calc GR . . . .
C615 C 0.1144(7) 0.6855(5) 0.3190(3) 0.065(3) Uani 1 1 d . . . . .
H615 H 0.0626 0.6457 0.3056 0.078 Uiso 1 1 calc R . . . .
C616 C 0.2051(6) 0.6866(4) 0.3006(3) 0.044(2) Uani 1 1 d . . . . .
C617 C 0.2133(6) 0.6303(4) 0.2604(3) 0.0412(19) Uani 1 1 d . . . . .
H617 H 0.1577 0.5924 0.2496 0.049 Uiso 1 1 calc R . . . .
C618 C 0.2916(6) 0.5619(5) 0.1986(3) 0.058(2) Uani 1 1 d . . . . .
H61A H 0.3106 0.5040 0.2083 0.070 Uiso 1 1 calc R . . . .
H61B H 0.2261 0.5521 0.1831 0.070 Uiso 1 1 calc R . . . .
C619 C 0.3609(7) 0.5957(6) 0.1683(3) 0.067(3) Uani 1 1 d . . . . .
H61F H 0.3300 0.6378 0.1493 0.081 Uiso 1 1 calc R . . . .
H61G H 0.3812 0.5455 0.1486 0.081 Uiso 1 1 calc R . . . .
C620 C 0.5293(6) 0.6532(5) 0.1759(3) 0.049(2) Uani 1 1 d . . . . .
H620 H 0.5333 0.6274 0.1463 0.059 Uiso 1 1 calc R . . . .
C621 C 0.6151(6) 0.7016(5) 0.1967(3) 0.053(2) Uani 1 1 d . . . . .
C622 C 0.6179(6) 0.7468(4) 0.2404(3) 0.049(2) Uani 1 1 d . . . . .
C623 C 0.7076(6) 0.7894(5) 0.2572(3) 0.062(3) Uani 1 1 d . . . . .
H623 H 0.7132 0.8191 0.2863 0.074 Uiso 1 1 calc R . . . .
C624 C 0.7869(7) 0.7885(6) 0.2322(5) 0.086(4) Uani 1 1 d . . . . .
H624 H 0.8470 0.8167 0.2448 0.103 Uiso 1 1 calc R . . . .
C625 C 0.7834(8) 0.7480(7) 0.1889(5) 0.083(4) Uani 1 1 d . . . . .
C626 C 0.8701(8) 0.7569(7) 0.1598(5) 0.130(6) Uani 1 1 d . . . . .
H62A H 0.8686 0.7043 0.1385 0.195 Uiso 1 1 calc GR . . . .
H62B H 0.9306 0.7614 0.1787 0.195 Uiso 1 1 calc GR . . . .
H62C H 0.8666 0.8107 0.1437 0.195 Uiso 1 1 calc GR . . . .
C627 C 0.6970(7) 0.7036(5) 0.1725(4) 0.069(3) Uani 1 1 d . . . . .
H627 H 0.6935 0.6733 0.1435 0.083 Uiso 1 1 calc R . . . .
C710 C 0.3311(5) 0.2919(4) 0.3338(3) 0.0396(19) Uani 1 1 d . . . . .
C711 C 0.3852(5) 0.3508(4) 0.2167(3) 0.0344(18) Uani 1 1 d . . . . .
C712 C 0.4796(5) 0.3864(4) 0.3489(2) 0.0314(17) Uani 1 1 d . . . . .
C713 C 0.5579(6) 0.3355(4) 0.2738(2) 0.0306(17) Uani 1 1 d . . . . .
C714 C 0.2745(5) 0.4005(4) 0.2846(2) 0.0287(16) Uani 1 1 d . . . . .
C715 C 0.3983(5) 0.2193(4) 0.2685(2) 0.0294(16) Uani 1 1 d . . . . .
C716 C 0.4470(4) 0.4926(4) 0.2849(2) 0.0270(16) Uani 1 1 d . . . . .
C814 C 0.6501(12) 0.0449(12) 0.0458(6) 0.066(5) Uani 0.5 1 d D . . . .
Re2 Re 0.53028(6) 0.01897(5) 0.00067(3) 0.0586(3) Uani 0.5 1 d D . . A -1
N810 N 0.4152(18) 0.1762(15) 0.0489(15) 0.054(8) Uani 0.5 1 d D . . A -1
N811 N 0.6166(19) -0.1530(15) -0.0492(15) 0.051(8) Uani 0.5 1 d D . . A -1
N812 N 0.3223(13) -0.1094(18) -0.0211(8) 0.151(10) Uani 0.5 1 d D . . A -1
N813 N 0.4858(19) -0.0961(13) 0.0828(6) 0.112(8) Uani 0.5 1 d D . . A -1
N814 N 0.7193(13) 0.0618(13) 0.0695(7) 0.120(8) Uani 0.5 1 d D . . A -1
N815 N 0.6778(14) 0.1664(13) -0.0393(8) 0.136(9) Uani 0.5 1 d D . . A -1
N816 N 0.438(2) 0.083(2) -0.0907(7) 0.179(14) Uani 0.5 1 d D . . A -1
C810 C 0.4552(14) 0.1176(12) 0.0331(8) 0.052(6) Uani 0.5 1 d D . . A -1
C811 C 0.5909(14) -0.0890(12) -0.0310(8) 0.055(7) Uani 0.5 1 d D . . A -1
C812 C 0.3954(12) -0.0679(13) -0.0116(9) 0.089(7) Uiso 0.5 1 d D . . A -1
C813 C 0.497(2) -0.0485(14) 0.0548(6) 0.082(8) Uiso 0.5 1 d D . . A -1
C815 C 0.6260(13) 0.1128(11) -0.0252(7) 0.081(6) Uani 0.5 1 d D . . A -1
C816 C 0.4657(17) 0.0615(15) -0.0565(6) 0.069(7) Uiso 0.5 1 d D . . A -1
Cl2 Cl 0.173(3) 0.165(2) -0.0271(13) 0.337(17) Uiso 0.25 1 d . . . . .
Cl3 Cl -0.120(3) 0.106(2) 0.0267(12) 0.327(16) Uiso 0.25 1 d . . . . .
O2S O 0.156(2) 0.2832(18) 0.0066(10) 0.231(11) Uiso 0.5 1 d . . . . .
Cl1 Cl 0.3932(8) 0.7944(5) 0.1241(3) 0.176(4) Uani 0.5 1 d . . . . .
P1 P 0.0000 0.0000 0.5000 0.222(6) Uani 1 2 d S T P . .
F1 F 0.0226(18) 0.0708(17) 0.4685(9) 0.375(12) Uani 1 1 d . . . . .
F2 F -0.033(2) 0.0705(16) 0.5274(8) 0.428(16) Uani 1 1 d . . . . .
F3 F 0.0987(12) 0.0074(9) 0.5209(7) 0.313(10) Uani 1 1 d . . . . .
O1S O 0.245(2) 0.7724(13) 0.0426(8) 0.195(10) Uani 0.5 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'
Cl Cl 0.1484 0.1585 '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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C710 Re1 C711 129.6(3) . .
C710 Re1 C713 125.9(3) . .
C710 Re1 C716 127.6(2) . .
C711 Re1 C713 86.0(3) . .
C712 Re1 C710 71.3(3) . .
C712 Re1 C711 159.1(3) . .
C712 Re1 C713 78.7(3) . .
C712 Re1 C714 110.4(3) . .
C712 Re1 C715 113.2(2) . .
C712 Re1 C716 78.8(2) . .
C714 Re1 C710 72.0(3) . .
C714 Re1 C711 81.0(3) . .
C714 Re1 C713 162.1(2) . .
C714 Re1 C715 108.4(2) . .
C714 Re1 C716 79.8(2) . .
C715 Re1 C710 72.0(3) . .
C715 Re1 C711 77.6(2) . .
C715 Re1 C713 80.4(2) . .
C715 Re1 C716 160.3(2) . .
C716 Re1 C711 86.4(2) . .
C716 Re1 C713 87.2(2) . .
O11 Mn1 N11 91.9(3) . .
O11 Mn1 N12 173.9(3) . .
O11 Mn1 N711 92.4(2) . .
O11 Mn1 N810 93.5(11) . .
O12 Mn1 O11 94.1(3) . .
O12 Mn1 N11 173.9(3) . .
O12 Mn1 N12 92.0(3) . .
O12 Mn1 N711 93.6(2) . .
O12 Mn1 N810 98.2(7) . .
N11 Mn1 N711 87.0(2) . .
N11 Mn1 N810 80.6(7) . .
N12 Mn1 N11 81.9(3) . .
N12 Mn1 N711 86.9(2) . .
N12 Mn1 N810 86.0(11) . .
N810 Mn1 N711 166.4(9) . .
O21 Mn2 N21 89.9(2) . .
O21 Mn2 N22 168.1(2) . .
O21 Mn2 N712 96.7(2) . .
O22 Mn2 O21 95.6(2) . .
O22 Mn2 N21 171.7(2) . .
O22 Mn2 N22 91.9(2) . .
O22 Mn2 N712 95.1(2) . .
N21 Mn2 N712 90.4(2) . .
N22 Mn2 N21 81.6(2) . .
N22 Mn2 N712 91.8(2) . .
O31 Mn3 O32 93.7(2) . .
O31 Mn3 N31 91.7(2) . .
O31 Mn3 N32 167.6(2) . .
O31 Mn3 N713 98.9(2) . .
O32 Mn3 N31 166.8(2) . .
O32 Mn3 N32 90.3(2) . .
O32 Mn3 N713 101.6(2) . .
N31 Mn3 N32 82.1(2) . .
N31 Mn3 N713 89.4(2) . .
N32 Mn3 N713 91.8(2) . .
O41 Mn4 O42 93.5(2) . .
O41 Mn4 N41 92.0(2) . .
O41 Mn4 N42 168.8(2) . .
O41 Mn4 N714 98.2(2) . .
O42 Mn4 N41 167.8(2) . .
O42 Mn4 N42 90.6(2) . .
O42 Mn4 N714 99.1(2) . .
N41 Mn4 N714 91.0(2) . .
N42 Mn4 N41 82.1(3) . .
N42 Mn4 N714 91.4(2) . .
O51 Mn5 O52 93.0(2) . .
O51 Mn5 O53 87.9(2) . .
O51 Mn5 N51 92.1(3) . .
O51 Mn5 N52 170.4(3) . .
O51 Mn5 N715 97.7(2) . .
O52 Mn5 O53 86.9(2) . .
O52 Mn5 N51 173.2(3) . .
O52 Mn5 N52 92.1(2) . .
O52 Mn5 N715 93.7(2) . .
N51 Mn5 O53 88.8(2) . .
N51 Mn5 N715 90.1(2) . .
N52 Mn5 O53 84.3(2) . .
N52 Mn5 N51 82.2(3) . .
N52 Mn5 N715 90.1(2) . .
N715 Mn5 O53 174.4(2) . .
O61 Mn6 O63 89.7(2) . .
O61 Mn6 N61 91.8(2) . .
O61 Mn6 N62 171.6(2) . .
O61 Mn6 N716 96.6(2) . .
O62 Mn6 O61 92.6(2) . .
O62 Mn6 O63 94.4(2) . .
O62 Mn6 N61 175.5(2) . .
O62 Mn6 N62 92.8(3) . .
O62 Mn6 N716 93.0(2) . .
N61 Mn6 O63 85.2(2) . .
N61 Mn6 N716 86.9(2) . .
N62 Mn6 O63 83.5(2) . .
N62 Mn6 N61 82.8(3) . .
N62 Mn6 N716 89.6(2) . .
N716 Mn6 O63 170.0(2) . .
C110 O11 Mn1 129.0(5) . .
C122 O12 Mn1 125.2(5) . .
C210 O21 Mn2 122.8(4) . .
C222 O22 Mn2 129.5(5) . .
C310 O31 Mn3 130.4(4) . .
C322 O32 Mn3 125.0(5) . .
C410 O41 Mn4 129.5(4) . .
C422 O42 Mn4 123.4(5) . .
C510 O51 Mn5 130.2(5) . .
C522 O52 Mn5 126.5(5) . .
Mn5 O53 H53A 110.0 . .
Mn5 O53 H53B 108.6 . .
H53A O53 H53B 108.9 . .
C610 O61 Mn6 129.1(5) . .
C622 O62 Mn6 129.5(5) . .
Mn6 O63 H63A 109.4 . .
Mn6 O63 H63B 110.1 . .
H63A O63 H63B 108.7 . .
C117 N11 Mn1 125.5(6) . .
C117 N11 C118 120.9(7) . .
C118 N11 Mn1 113.5(5) . .
C119 N12 Mn1 113.8(5) . .
C120 N12 Mn1 125.2(6) . .
C120 N12 C119 121.0(7) . .
C217 N21 Mn2 124.2(5) . .
C217 N21 C218 121.6(6) . .
C218 N21 Mn2 113.7(4) . .
C219 N22 Mn2 113.3(4) . .
C220 N22 Mn2 126.3(5) . .
C220 N22 C219 119.9(6) . .
C317 N31 Mn3 125.5(5) . .
C317 N31 C318 120.6(6) . .
C318 N31 Mn3 113.4(5) . .
C319 N32 Mn3 112.9(5) . .
C320 N32 Mn3 124.6(5) . .
C320 N32 C319 122.5(6) . .
C417 N41 Mn4 126.0(5) . .
C417 N41 C418 120.0(6) . .
C418 N41 Mn4 113.6(5) . .
C419 N42 Mn4 113.4(5) . .
C420 N42 Mn4 124.4(5) . .
C420 N42 C419 122.0(7) . .
C517 N51 Mn5 125.2(6) . .
C517 N51 C518 122.7(7) . .
C518 N51 Mn5 111.9(5) . .
C519 N52 Mn5 114.4(5) . .
C520 N52 Mn5 124.1(6) . .
C520 N52 C519 121.3(7) . .
C617 N61 Mn6 126.6(5) . .
C617 N61 C618 121.1(6) . .
C618 N61 Mn6 111.9(5) . .
C619 N62 Mn6 113.3(5) . .
C620 N62 Mn6 125.0(5) . .
C620 N62 C619 121.4(7) . .
C711 N711 Mn1 149.4(5) . .
C712 N712 Mn2 137.4(5) . .
C713 N713 Mn3 149.2(5) . .
C714 N714 Mn4 140.2(5) . .
C715 N715 Mn5 137.3(6) . .
C716 N716 Mn6 146.6(5) . .
O11 C110 C111 120.9(9) . .
O11 C110 C116 123.4(8) . .
C111 C110 C116 115.7(9) . .
C110 C111 H111 118.3 . .
C112 C111 C110 123.5(10) . .
C112 C111 H111 118.3 . .
C111 C112 H112 119.4 . .
C111 C112 C113 121.2(9) . .
C113 C112 H112 119.4 . .
C112 C113 C114 120.3(10) . .
C115 C113 C112 117.4(9) . .
C115 C113 C114 122.3(11) . .
C113 C114 H11C 109.5 . .
C113 C114 H11D 109.5 . .
C113 C114 H11E 109.5 . .
H11C C114 H11D 109.5 . .
H11C C114 H11E 109.5 . .
H11D C114 H11E 109.5 . .
C113 C115 H115 118.6 . .
C113 C115 C116 122.9(10) . .
C116 C115 H115 118.6 . .
C110 C116 C117 122.7(8) . .
C115 C116 C110 119.4(8) . .
C115 C116 C117 118.0(9) . .
N11 C117 C116 126.0(8) . .
N11 C117 H117 117.0 . .
C116 C117 H117 117.0 . .
N11 C118 H11A 110.2 . .
N11 C118 H11B 110.2 . .
N11 C118 C119 107.7(7) . .
H11A C118 H11B 108.5 . .
C119 C118 H11A 110.2 . .
C119 C118 H11B 110.2 . .
N12 C119 C118 107.7(7) . .
N12 C119 H11F 110.2 . .
N12 C119 H11G 110.2 . .
C118 C119 H11F 110.2 . .
C118 C119 H11G 110.2 . .
H11F C119 H11G 108.5 . .
N12 C120 H120 117.2 . .
N12 C120 C121 125.6(8) . .
C121 C120 H120 117.2 . .
C122 C121 C120 122.3(7) . .
C127 C121 C120 118.4(9) . .
C127 C121 C122 119.3(9) . .
O12 C122 C121 124.6(7) . .
O12 C122 C123 118.1(8) . .
C121 C122 C123 117.2(8) . .
C122 C123 H123 119.7 . .
C124 C123 C122 120.7(9) . .
C124 C123 H123 119.7 . .
C123 C124 H124 119.6 . .
C125 C124 C123 120.9(10) . .
C125 C124 H124 119.6 . .
C124 C125 C126 116.8(12) . .
C127 C125 C124 118.3(10) . .
C127 C125 C126 124.9(12) . .
C125 C126 H12A 109.5 . .
C125 C126 H12B 109.5 . .
C125 C126 H12C 109.5 . .
H12A C126 H12B 109.5 . .
H12A C126 H12C 109.5 . .
H12B C126 H12C 109.5 . .
C121 C127 H127 118.2 . .
C125 C127 C121 123.6(10) . .
C125 C127 H127 118.2 . .
O21 C210 C211 118.7(7) . .
O21 C210 C216 123.4(6) . .
C211 C210 C216 117.9(7) . .
C210 C211 H211 119.6 . .
C210 C211 C212 120.8(9) . .
C212 C211 H211 119.6 . .
C211 C212 H212 119.0 . .
C213 C212 C211 121.9(8) . .
C213 C212 H212 119.0 . .
C212 C213 C214 121.8(9) . .
C215 C213 C212 117.8(8) . .
C215 C213 C214 120.4(10) . .
C213 C214 H21C 109.5 . .
C213 C214 H21D 109.5 . .
C213 C214 H21E 109.5 . .
H21C C214 H21D 109.5 . .
H21C C214 H21E 109.5 . .
H21D C214 H21E 109.5 . .
C213 C215 H215 119.2 . .
C213 C215 C216 121.6(9) . .
C216 C215 H215 119.2 . .
C210 C216 C215 120.0(8) . .
C210 C216 C217 122.3(6) . .
C215 C216 C217 117.5(8) . .
N21 C217 C216 124.5(7) . .
N21 C217 H217 117.7 . .
C216 C217 H217 117.7 . .
N21 C218 H21F 110.4 . .
N21 C218 H21G 110.4 . .
N21 C218 C219 106.5(6) . .
H21F C218 H21G 108.6 . .
C219 C218 H21F 110.4 . .
C219 C218 H21G 110.4 . .
N22 C219 C218 107.8(6) . .
N22 C219 H21A 110.2 . .
N22 C219 H21B 110.2 . .
C218 C219 H21A 110.2 . .
C218 C219 H21B 110.2 . .
H21A C219 H21B 108.5 . .
N22 C220 H220 117.4 . .
N22 C220 C221 125.2(7) . .
C221 C220 H220 117.4 . .
C222 C221 C220 122.5(7) . .
C227 C221 C220 117.4(7) . .
C227 C221 C222 120.0(7) . .
O22 C222 C221 123.9(7) . .
O22 C222 C223 120.1(7) . .
C223 C222 C221 116.0(7) . .
C222 C223 H223 118.9 . .
C224 C223 C222 122.2(8) . .
C224 C223 H223 118.9 . .
C223 C224 H224 119.0 . .
C223 C224 C225 121.9(8) . .
C225 C224 H224 119.0 . .
C224 C225 C226 121.0(9) . .
C227 C225 C224 116.4(8) . .
C227 C225 C226 122.6(9) . .
C225 C226 H22A 109.5 . .
C225 C226 H22B 109.5 . .
C225 C226 H22C 109.5 . .
H22A C226 H22B 109.5 . .
H22A C226 H22C 109.5 . .
H22B C226 H22C 109.5 . .
C221 C227 H227 118.4 . .
C225 C227 C221 123.2(9) . .
C225 C227 H227 118.4 . .
O31 C310 C311 119.2(7) . .
O31 C310 C316 124.5(7) . .
C311 C310 C316 116.3(8) . .
C310 C311 H311 119.1 . .
C312 C311 C310 121.9(9) . .
C312 C311 H311 119.1 . .
C311 C312 H312 118.4 . .
C311 C312 C313 123.2(9) . .
C313 C312 H312 118.4 . .
C312 C313 C314 120.4(9) . .
C315 C313 C312 114.8(9) . .
C315 C313 C314 124.7(10) . .
C313 C314 H31A 109.5 . .
C313 C314 H31B 109.5 . .
C313 C314 H31C 109.5 . .
H31A C314 H31B 109.5 . .
H31A C314 H31C 109.5 . .
H31B C314 H31C 109.5 . .
C313 C315 H315 118.1 . .
C313 C315 C316 123.7(8) . .
C316 C315 H315 118.1 . .
C310 C316 C317 120.9(7) . .
C315 C316 C310 120.1(7) . .
C315 C316 C317 118.9(7) . .
N31 C317 C316 126.8(7) . .
N31 C317 H317 116.6 . .
C316 C317 H317 116.6 . .
N31 C318 H31F 110.4 . .
N31 C318 H31G 110.4 . .
N31 C318 C319 106.7(6) . .
H31F C318 H31G 108.6 . .
C319 C318 H31F 110.4 . .
C319 C318 H31G 110.4 . .
N32 C319 C318 108.3(6) . .
N32 C319 H31D 110.0 . .
N32 C319 H31E 110.0 . .
C318 C319 H31D 110.0 . .
C318 C319 H31E 110.0 . .
H31D C319 H31E 108.4 . .
N32 C320 H320 117.4 . .
N32 C320 C321 125.2(7) . .
C321 C320 H320 117.4 . .
C322 C321 C320 122.3(7) . .
C322 C321 C327 120.4(8) . .
C327 C321 C320 117.2(8) . .
O32 C322 C321 123.6(7) . .
O32 C322 C323 118.4(8) . .
C323 C322 C321 117.8(8) . .
C322 C323 H323 120.0 . .
C324 C323 C322 120.0(9) . .
C324 C323 H323 120.0 . .
C323 C324 H324 118.7 . .
C323 C324 C325 122.5(9) . .
C325 C324 H324 118.7 . .
C324 C325 C326 120.4(11) . .
C327 C325 C324 118.0(9) . .
C327 C325 C326 121.5(11) . .
C325 C326 H32A 109.5 . .
C325 C326 H32B 109.5 . .
C325 C326 H32C 109.5 . .
H32A C326 H32B 109.5 . .
H32A C326 H32C 109.5 . .
H32B C326 H32C 109.5 . .
C321 C327 H327 119.4 . .
C325 C327 C321 121.1(9) . .
C325 C327 H327 119.4 . .
O41 C410 C411 117.6(7) . .
O41 C410 C416 124.5(7) . .
C411 C410 C416 118.0(8) . .
C410 C411 H411 119.6 . .
C412 C411 C410 120.8(8) . .
C412 C411 H411 119.6 . .
C411 C412 H412 118.7 . .
C411 C412 C413 122.7(8) . .
C413 C412 H412 118.7 . .
C412 C413 C414 121.3(9) . .
C415 C413 C412 117.4(8) . .
C415 C413 C414 121.3(9) . .
C413 C414 H41A 109.5 . .
C413 C414 H41B 109.5 . .
C413 C414 H41C 109.5 . .
H41A C414 H41B 109.5 . .
H41A C414 H41C 109.5 . .
H41B C414 H41C 109.5 . .
C413 C415 H415 119.0 . .
C413 C415 C416 121.9(8) . .
C416 C415 H415 119.0 . .
C410 C416 C415 119.1(7) . .
C410 C416 C417 122.0(8) . .
C415 C416 C417 118.9(7) . .
N41 C417 C416 125.8(7) . .
N41 C417 H417 117.1 . .
C416 C417 H417 117.1 . .
N41 C418 H41F 110.2 . .
N41 C418 H41G 110.2 . .
H41F C418 H41G 108.5 . .
C419 C418 N41 107.8(6) . .
C419 C418 H41F 110.2 . .
C419 C418 H41G 110.2 . .
N42 C419 H41D 110.0 . .
N42 C419 H41E 110.0 . .
C418 C419 N42 108.6(6) . .
C418 C419 H41D 110.0 . .
C418 C419 H41E 110.0 . .
H41D C419 H41E 108.4 . .
N42 C420 H420 117.3 . .
N42 C420 C421 125.4(7) . .
C421 C420 H420 117.3 . .
C422 C421 C420 121.8(8) . .
C427 C421 C420 117.9(8) . .
C427 C421 C422 120.1(8) . .
O42 C422 C421 123.4(7) . .
O42 C422 C423 118.8(7) . .
C423 C422 C421 117.7(8) . .
C422 C423 H423 120.0 . .
C424 C423 C422 119.9(9) . .
C424 C423 H423 120.0 . .
C423 C424 H424 118.8 . .
C423 C424 C425 122.3(9) . .
C425 C424 H424 118.8 . .
C424 C425 C426 119.4(10) . .
C427 C425 C424 117.5(9) . .
C427 C425 C426 123.0(10) . .
C425 C426 H42A 109.5 . .
C425 C426 H42B 109.5 . .
C425 C426 H42C 109.5 . .
H42A C426 H42B 109.5 . .
H42A C426 H42C 109.5 . .
H42B C426 H42C 109.5 . .
C421 C427 H427 118.9 . .
C425 C427 C421 122.3(9) . .
C425 C427 H427 118.9 . .
O51 C510 C511 118.9(7) . .
O51 C510 C516 124.0(7) . .
C511 C510 C516 117.1(8) . .
C510 C511 H511 119.5 . .
C510 C511 C512 121.0(9) . .
C512 C511 H511 119.5 . .
C511 C512 H512 118.7 . .
C511 C512 C513 122.5(9) . .
C513 C512 H512 118.7 . .
C512 C513 C514 119.5(10) . .
C515 C513 C512 116.2(9) . .
C515 C513 C514 124.4(10) . .
C513 C514 H51C 109.5 . .
C513 C514 H51D 109.5 . .
C513 C514 H51E 109.5 . .
H51C C514 H51D 109.5 . .
H51C C514 H51E 109.5 . .
H51D C514 H51E 109.5 . .
C513 C515 H515 118.5 . .
C513 C515 C516 123.1(9) . .
C516 C515 H515 118.5 . .
C510 C516 C517 121.7(8) . .
C515 C516 C510 120.0(8) . .
C515 C516 C517 118.3(8) . .
N51 C517 C516 126.7(8) . .
N51 C517 H517 116.7 . .
C516 C517 H517 116.7 . .
N51 C518 H51A 109.9 . .
N51 C518 H51B 109.9 . .
N51 C518 C519 109.1(6) . .
H51A C518 H51B 108.3 . .
C519 C518 H51A 109.9 . .
C519 C518 H51B 109.9 . .
N52 C519 C518 107.3(7) . .
N52 C519 H51F 110.3 . .
N52 C519 H51G 110.3 . .
C518 C519 H51F 110.3 . .
C518 C519 H51G 110.3 . .
H51F C519 H51G 108.5 . .
N52 C520 H520 117.4 . .
N52 C520 C521 125.2(8) . .
C521 C520 H520 117.4 . .
C522 C521 C520 123.4(8) . .
C522 C521 C527 118.9(8) . .
C527 C521 C520 117.6(8) . .
O52 C522 C521 123.2(8) . .
O52 C522 C523 118.6(8) . .
C523 C522 C521 118.0(8) . .
C522 C523 H523 119.6 . .
C524 C523 C522 120.8(10) . .
C524 C523 H523 119.6 . .
C523 C524 H524 118.5 . .
C523 C524 C525 122.9(10) . .
C525 C524 H524 118.5 . .
C524 C525 C526 120.3(11) . .
C527 C525 C524 116.6(9) . .
C527 C525 C526 123.0(11) . .
C525 C526 H52A 109.5 . .
C525 C526 H52B 109.5 . .
C525 C526 H52C 109.5 . .
H52A C526 H52B 109.5 . .
H52A C526 H52C 109.5 . .
H52B C526 H52C 109.5 . .
C521 C527 H527 118.7 . .
C525 C527 C521 122.6(9) . .
C525 C527 H527 118.7 . .
O61 C610 C611 118.9(7) . .
O61 C610 C616 123.3(7) . .
C611 C610 C616 117.8(8) . .
C610 C611 H611 119.4 . .
C612 C611 C610 121.1(8) . .
C612 C611 H611 119.4 . .
C611 C612 H612 119.0 . .
C611 C612 C613 122.1(8) . .
C613 C612 H612 119.0 . .
C612 C613 C614 121.7(9) . .
C615 C613 C612 117.9(8) . .
C615 C613 C614 120.4(10) . .
C613 C614 H61C 109.5 . .
C613 C614 H61D 109.5 . .
C613 C614 H61E 109.5 . .
H61C C614 H61D 109.5 . .
H61C C614 H61E 109.5 . .
H61D C614 H61E 109.5 . .
C613 C615 H615 119.1 . .
C613 C615 C616 121.8(8) . .
C616 C615 H615 119.1 . .
C610 C616 C617 123.1(7) . .
C615 C616 C610 119.3(8) . .
C615 C616 C617 117.6(7) . .
N61 C617 C616 125.6(7) . .
N61 C617 H617 117.2 . .
C616 C617 H617 117.2 . .
N61 C618 H61A 109.7 . .
N61 C618 H61B 109.7 . .
H61A C618 H61B 108.2 . .
C619 C618 N61 109.9(6) . .
C619 C618 H61A 109.7 . .
C619 C618 H61B 109.7 . .
N62 C619 H61F 109.7 . .
N62 C619 H61G 109.7 . .
C618 C619 N62 109.9(7) . .
C618 C619 H61F 109.7 . .
C618 C619 H61G 109.7 . .
H61F C619 H61G 108.2 . .
N62 C620 H620 117.1 . .
N62 C620 C621 125.8(8) . .
C621 C620 H620 117.1 . .
C622 C621 C620 122.8(8) . .
C627 C621 C620 116.8(9) . .
C627 C621 C622 120.3(9) . .
O62 C622 C621 123.5(8) . .
O62 C622 C623 119.8(8) . .
C623 C622 C621 116.7(8) . .
C622 C623 H623 119.6 . .
C624 C623 C622 120.8(10) . .
C624 C623 H623 119.6 . .
C623 C624 H624 118.6 . .
C623 C624 C625 122.7(10) . .
C625 C624 H624 118.6 . .
C624 C625 C626 121.6(12) . .
C627 C625 C624 117.2(10) . .
C627 C625 C626 121.1(13) . .
C625 C626 H62A 109.5 . .
C625 C626 H62B 109.5 . .
C625 C626 H62C 109.5 . .
H62A C626 H62B 109.5 . .
H62A C626 H62C 109.5 . .
H62B C626 H62C 109.5 . .
C621 C627 H627 118.9 . .
C625 C627 C621 122.1(10) . .
C625 C627 H627 118.9 . .
N710 C710 Re1 178.8(7) . .
N711 C711 Re1 176.3(6) . .
N712 C712 Re1 178.2(6) . .
N713 C713 Re1 177.1(6) . .
N714 C714 Re1 178.6(6) . .
N715 C715 Re1 176.9(6) . .
N716 C716 Re1 177.2(6) . .
N814 C814 Re2 176(2) . .
C814 Re2 C810 92.0(8) . .
C814 Re2 C812 141.4(9) . .
C814 Re2 C815 72.3(8) . .
C810 Re2 C812 90.6(8) . .
C810 Re2 C815 92.7(9) . .
C811 Re2 C814 92.0(8) . .
C811 Re2 C810 173.4(7) . .
C811 Re2 C812 83.0(8) . .
C811 Re2 C815 93.5(9) . .
C813 Re2 C814 74.4(10) . .
C813 Re2 C810 82.7(10) . .
C813 Re2 C811 93.4(10) . .
C813 Re2 C812 67.7(10) . .
C813 Re2 C815 146.2(9) . .
C813 Re2 C816 141.0(11) . .
C815 Re2 C812 146.0(9) . .
C816 Re2 C814 142.8(8) . .
C816 Re2 C810 84.2(10) . .
C816 Re2 C811 95.7(10) . .
C816 Re2 C812 75.8(9) . .
C816 Re2 C815 70.9(9) . .
C810 N810 Mn1 150(4) . .
N810 C810 Re2 175(3) . .
N811 C811 Re2 174(2) . .
N812 C812 Re2 174(3) . .
N813 C813 Re2 170(3) . .
N815 C815 Re2 179(2) . .
N816 C816 Re2 173(3) . .
F1 P1 F1 180.0 2_556 .
F2 P1 F1 84.9(10) 2_556 2_556
F2 P1 F1 95.1(10) . 2_556
F2 P1 F1 84.9(10) . .
F2 P1 F1 95.1(10) 2_556 .
F2 P1 F2 180.0 . 2_556
F2 P1 F3 95.3(10) 2_556 2_556
F2 P1 F3 84.7(10) 2_556 .
F2 P1 F3 84.7(10) . 2_556
F2 P1 F3 95.3(10) . .
F3 P1 F1 86.2(9) . 2_556
F3 P1 F1 86.2(9) 2_556 .
F3 P1 F1 93.8(9) 2_556 2_556
F3 P1 F1 93.8(9) . .
F3 P1 F3 180.0 . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 C710 2.082(9) .
Re1 C711 2.125(8) .
Re1 C712 2.051(8) .
Re1 C713 2.125(8) .
Re1 C714 2.054(8) .
Re1 C715 2.065(6) .
Re1 C716 2.106(6) .
Mn1 O11 1.876(5) .
Mn1 O12 1.868(5) .
Mn1 N11 1.982(7) .
Mn1 N12 1.977(6) .
Mn1 N711 2.343(6) .
Mn1 N810 2.26(3) .
Mn2 O21 1.900(5) .
Mn2 O22 1.867(5) .
Mn2 N21 1.988(6) .
Mn2 N22 1.981(5) .
Mn2 N712 2.176(6) .
Mn3 O31 1.867(5) .
Mn3 O32 1.879(5) .
Mn3 N31 1.981(6) .
Mn3 N32 1.989(6) .
Mn3 N713 2.189(6) .
Mn4 O41 1.864(5) .
Mn4 O42 1.888(5) .
Mn4 N41 1.973(6) .
Mn4 N42 1.965(6) .
Mn4 N714 2.161(6) .
Mn5 O51 1.857(5) .
Mn5 O52 1.880(5) .
Mn5 O53 2.356(5) .
Mn5 N51 1.987(6) .
Mn5 N52 1.982(6) .
Mn5 N715 2.179(6) .
Mn6 O61 1.897(5) .
Mn6 O62 1.875(5) .
Mn6 O63 2.278(5) .
Mn6 N61 1.983(6) .
Mn6 N62 1.982(6) .
Mn6 N716 2.250(6) .
O11 C110 1.313(10) .
O12 C122 1.339(9) .
O21 C210 1.332(8) .
O22 C222 1.326(8) .
O31 C310 1.304(8) .
O32 C322 1.323(9) .
O41 C410 1.320(9) .
O42 C422 1.333(9) .
O51 C510 1.320(9) .
O52 C522 1.326(9) .
O53 H53A 0.8801 .
O53 H53B 0.8808 .
O61 C610 1.331(9) .
O62 C622 1.308(9) .
O63 H63A 0.8841 .
O63 H63B 0.8845 .
N11 C117 1.280(9) .
N11 C118 1.481(9) .
N12 C119 1.464(9) .
N12 C120 1.280(9) .
N21 C217 1.271(8) .
N21 C218 1.479(9) .
N22 C219 1.475(8) .
N22 C220 1.285(8) .
N31 C317 1.281(9) .
N31 C318 1.470(8) .
N32 C319 1.469(9) .
N32 C320 1.289(9) .
N41 C417 1.285(9) .
N41 C418 1.477(9) .
N42 C419 1.483(9) .
N42 C420 1.286(10) .
N51 C517 1.274(9) .
N51 C518 1.480(9) .
N52 C519 1.462(10) .
N52 C520 1.289(10) .
N61 C617 1.276(9) .
N61 C618 1.484(9) .
N62 C619 1.470(10) .
N62 C620 1.297(9) .
N710 C710 1.158(9) .
N711 C711 1.156(8) .
N712 C712 1.167(8) .
N713 C713 1.156(8) .
N714 C714 1.166(8) .
N715 C715 1.156(7) .
N716 C716 1.158(7) .
C110 C111 1.408(11) .
C110 C116 1.423(11) .
C111 H111 0.9500 .
C111 C112 1.356(13) .
C112 H112 0.9500 .
C112 C113 1.390(14) .
C113 C114 1.530(12) .
C113 C115 1.372(12) .
C114 H11C 0.9800 .
C114 H11D 0.9800 .
C114 H11E 0.9800 .
C115 H115 0.9500 .
C115 C116 1.409(11) .
C116 C117 1.424(11) .
C117 H117 0.9500 .
C118 H11A 0.9900 .
C118 H11B 0.9900 .
C118 C119 1.499(11) .
C119 H11F 0.9900 .
C119 H11G 0.9900 .
C120 H120 0.9500 .
C120 C121 1.417(11) .
C121 C122 1.401(11) .
C121 C127 1.386(11) .
C122 C123 1.409(11) .
C123 H123 0.9500 .
C123 C124 1.407(13) .
C124 H124 0.9500 .
C124 C125 1.359(15) .
C125 C126 1.513(13) .
C125 C127 1.357(13) .
C126 H12A 0.9800 .
C126 H12B 0.9800 .
C126 H12C 0.9800 .
C127 H127 0.9500 .
C210 C211 1.383(10) .
C210 C216 1.411(10) .
C211 H211 0.9500 .
C211 C212 1.415(11) .
C212 H212 0.9500 .
C212 C213 1.380(13) .
C213 C214 1.510(11) .
C213 C215 1.376(11) .
C214 H21C 0.9800 .
C214 H21D 0.9800 .
C214 H21E 0.9800 .
C215 H215 0.9500 .
C215 C216 1.424(10) .
C216 C217 1.444(10) .
C217 H217 0.9500 .
C218 H21F 0.9900 .
C218 H21G 0.9900 .
C218 C219 1.497(10) .
C219 H21A 0.9900 .
C219 H21B 0.9900 .
C220 H220 0.9500 .
C220 C221 1.435(10) .
C221 C222 1.411(10) .
C221 C227 1.399(10) .
C222 C223 1.387(10) .
C223 H223 0.9500 .
C223 C224 1.379(11) .
C224 H224 0.9500 .
C224 C225 1.383(12) .
C225 C226 1.523(11) .
C225 C227 1.362(11) .
C226 H22A 0.9800 .
C226 H22B 0.9800 .
C226 H22C 0.9800 .
C227 H227 0.9500 .
C310 C311 1.401(10) .
C310 C316 1.420(10) .
C311 H311 0.9500 .
C311 C312 1.347(12) .
C312 H312 0.9500 .
C312 C313 1.432(13) .
C313 C314 1.505(13) .
C313 C315 1.363(11) .
C314 H31A 0.9800 .
C314 H31B 0.9800 .
C314 H31C 0.9800 .
C315 H315 0.9500 .
C315 C316 1.401(11) .
C316 C317 1.438(10) .
C317 H317 0.9500 .
C318 H31F 0.9900 .
C318 H31G 0.9900 .
C318 C319 1.504(10) .
C319 H31D 0.9900 .
C319 H31E 0.9900 .
C320 H320 0.9500 .
C320 C321 1.420(11) .
C321 C322 1.402(10) .
C321 C327 1.410(11) .
C322 C323 1.399(10) .
C323 H323 0.9500 .
C323 C324 1.379(13) .
C324 H324 0.9500 .
C324 C325 1.387(13) .
C325 C326 1.539(13) .
C325 C327 1.363(13) .
C326 H32A 0.9800 .
C326 H32B 0.9800 .
C326 H32C 0.9800 .
C327 H327 0.9500 .
C410 C411 1.397(10) .
C410 C416 1.403(10) .
C411 H411 0.9500 .
C411 C412 1.357(11) .
C412 H412 0.9500 .
C412 C413 1.382(11) .
C413 C414 1.495(12) .
C413 C415 1.366(11) .
C414 H41A 0.9800 .
C414 H41B 0.9800 .
C414 H41C 0.9800 .
C415 H415 0.9500 .
C415 C416 1.415(10) .
C416 C417 1.436(10) .
C417 H417 0.9500 .
C418 H41F 0.9900 .
C418 H41G 0.9900 .
C418 C419 1.470(11) .
C419 H41D 0.9900 .
C419 H41E 0.9900 .
C420 H420 0.9500 .
C420 C421 1.422(10) .
C421 C422 1.420(10) .
C421 C427 1.386(11) .
C422 C423 1.386(11) .
C423 H423 0.9500 .
C423 C424 1.383(12) .
C424 H424 0.9500 .
C424 C425 1.395(13) .
C425 C426 1.502(13) .
C425 C427 1.351(12) .
C426 H42A 0.9800 .
C426 H42B 0.9800 .
C426 H42C 0.9800 .
C427 H427 0.9500 .
C510 C511 1.367(11) .
C510 C516 1.406(10) .
C511 H511 0.9500 .
C511 C512 1.377(11) .
C512 H512 0.9500 .
C512 C513 1.385(13) .
C513 C514 1.529(12) .
C513 C515 1.352(12) .
C514 H51C 0.9800 .
C514 H51D 0.9800 .
C514 H51E 0.9800 .
C515 H515 0.9500 .
C515 C516 1.386(11) .
C516 C517 1.445(11) .
C517 H517 0.9500 .
C518 H51A 0.9900 .
C518 H51B 0.9900 .
C518 C519 1.491(11) .
C519 H51F 0.9900 .
C519 H51G 0.9900 .
C520 H520 0.9500 .
C520 C521 1.441(11) .
C521 C522 1.408(11) .
C521 C527 1.414(11) .
C522 C523 1.399(11) .
C523 H523 0.9500 .
C523 C524 1.357(12) .
C524 H524 0.9500 .
C524 C525 1.396(14) .
C525 C526 1.511(12) .
C525 C527 1.368(13) .
C526 H52A 0.9800 .
C526 H52B 0.9800 .
C526 H52C 0.9800 .
C527 H527 0.9500 .
C610 C611 1.394(10) .
C610 C616 1.417(10) .
C611 H611 0.9500 .
C611 C612 1.365(11) .
C612 H612 0.9500 .
C612 C613 1.381(13) .
C613 C614 1.527(13) .
C613 C615 1.378(12) .
C614 H61C 0.9800 .
C614 H61D 0.9800 .
C614 H61E 0.9800 .
C615 H615 0.9500 .
C615 C616 1.398(11) .
C616 C617 1.438(10) .
C617 H617 0.9500 .
C618 H61A 0.9900 .
C618 H61B 0.9900 .
C618 C619 1.453(11) .
C619 H61F 0.9900 .
C619 H61G 0.9900 .
C620 H620 0.9500 .
C620 C621 1.432(11) .
C621 C622 1.431(11) .
C621 C627 1.381(11) .
C622 C623 1.402(11) .
C623 H623 0.9500 .
C623 C624 1.364(13) .
C624 H624 0.9500 .
C624 C625 1.394(15) .
C625 C626 1.526(13) .
C625 C627 1.372(13) .
C626 H62A 0.9800 .
C626 H62B 0.9800 .
C626 H62C 0.9800 .
C627 H627 0.9500 .
C814 Re2 2.077(13) .
C814 N814 1.160(2) .
Re2 C810 2.086(11) .
Re2 C811 2.075(13) .
Re2 C812 2.194(13) .
Re2 C813 2.043(14) .
Re2 C815 2.091(12) .
Re2 C816 2.063(14) .
N810 C810 1.160(2) .
N811 C811 1.160(2) .
N812 C812 1.159(2) .
N813 C813 1.160(2) .
N815 C815 1.160(2) .
N816 C816 1.160(2) .
Cl2 O2S 2.02(4) .
P1 F1 1.509(19) 2_556
P1 F1 1.510(19) .
P1 F2 1.412(14) .
P1 F2 1.412(14) 2_556
P1 F3 1.462(14) .
P1 F3 1.462(14) 2_556
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
Mn1 O11 C110 C111 -170.2(6) . . . .
Mn1 O11 C110 C116 11.9(11) . . . .
Mn1 O12 C122 C121 23.5(11) . . . .
Mn1 O12 C122 C123 -158.8(6) . . . .
Mn1 N11 C117 C116 0.2(12) . . . .
Mn1 N11 C118 C119 -32.1(8) . . . .
Mn1 N12 C119 C118 -35.1(7) . . . .
Mn1 N12 C120 C121 -1.5(12) . . . .
Mn2 O21 C210 C211 151.9(5) . . . .
Mn2 O21 C210 C216 -31.2(9) . . . .
Mn2 O22 C222 C221 -7.7(10) . . . .
Mn2 O22 C222 C223 173.9(5) . . . .
Mn2 N21 C217 C216 10.9(10) . . . .
Mn2 N21 C218 C219 35.1(7) . . . .
Mn2 N22 C219 C218 35.8(7) . . . .
Mn2 N22 C220 C221 -6.7(10) . . . .
Mn3 O31 C310 C311 -179.8(5) . . . .
Mn3 O31 C310 C316 2.1(10) . . . .
Mn3 O32 C322 C321 29.8(10) . . . .
Mn3 O32 C322 C323 -155.0(5) . . . .
Mn3 N31 C317 C316 4.0(11) . . . .
Mn3 N31 C318 C319 -36.4(7) . . . .
Mn3 N32 C319 C318 -33.3(8) . . . .
Mn3 N32 C320 C321 -3.7(11) . . . .
Mn4 O41 C410 C411 -173.8(5) . . . .
Mn4 O41 C410 C416 5.6(10) . . . .
Mn4 O42 C422 C421 -30.5(9) . . . .
Mn4 O42 C422 C423 152.5(6) . . . .
Mn4 N41 C417 C416 -2.8(11) . . . .
Mn4 N41 C418 C419 33.5(8) . . . .
Mn4 N42 C419 C418 32.1(8) . . . .
Mn4 N42 C420 C421 8.8(11) . . . .
Mn5 O51 C510 C511 176.2(6) . . . .
Mn5 O51 C510 C516 -4.8(11) . . . .
Mn5 O52 C522 C521 -21.2(11) . . . .
Mn5 O52 C522 C523 162.6(6) . . . .
Mn5 N51 C517 C516 -3.0(12) . . . .
Mn5 N51 C518 C519 35.0(8) . . . .
Mn5 N52 C519 C518 31.7(8) . . . .
Mn5 N52 C520 C521 8.6(11) . . . .
Mn6 O61 C610 C611 -173.5(5) . . . .
Mn6 O61 C610 C616 9.2(10) . . . .
Mn6 O62 C622 C621 9.8(11) . . . .
Mn6 O62 C622 C623 -172.5(5) . . . .
Mn6 N61 C617 C616 3.1(11) . . . .
Mn6 N61 C618 C619 -32.2(9) . . . .
Mn6 N62 C619 C618 -27.8(9) . . . .
Mn6 N62 C620 C621 3.1(11) . . . .
O11 Mn1 O12 C122 155.5(6) . . . .
O11 C110 C111 C112 179.7(8) . . . .
O11 C110 C116 C115 178.2(7) . . . .
O11 C110 C116 C117 0.4(12) . . . .
O12 Mn1 O11 C110 167.1(6) . . . .
O12 C122 C123 C124 -180.0(8) . . . .
O21 Mn2 O22 C222 -164.2(5) . . . .
O21 C210 C211 C212 175.0(7) . . . .
O21 C210 C216 C215 -174.7(6) . . . .
O21 C210 C216 C217 0.6(11) . . . .
O22 C222 C223 C224 -176.5(7) . . . .
O31 Mn3 O32 C322 158.5(6) . . . .
O31 C310 C311 C312 178.7(8) . . . .
O31 C310 C316 C315 -178.7(7) . . . .
O31 C310 C316 C317 -2.8(11) . . . .
O32 Mn3 O31 C310 168.7(6) . . . .
O32 C322 C323 C324 -173.7(8) . . . .
O41 Mn4 O42 C422 -154.2(5) . . . .
O41 C410 C411 C412 178.9(7) . . . .
O41 C410 C416 C415 -179.3(7) . . . .
O41 C410 C416 C417 -1.7(11) . . . .
O42 Mn4 O41 C410 -175.0(6) . . . .
O42 C422 C423 C424 174.1(8) . . . .
O51 Mn5 O52 C522 -162.4(7) . . . .
O51 C510 C511 C512 176.8(8) . . . .
O51 C510 C516 C515 -178.3(8) . . . .
O51 C510 C516 C517 0.3(12) . . . .
O52 Mn5 O51 C510 -171.1(6) . . . .
O52 C522 C523 C524 176.7(8) . . . .
O53 Mn5 O51 C510 -84.4(6) . . . .
O53 Mn5 O52 C522 109.9(7) . . . .
O61 Mn6 O62 C622 179.0(6) . . . .
O61 C610 C611 C612 -179.3(7) . . . .
O61 C610 C616 C615 177.6(7) . . . .
O61 C610 C616 C617 -4.7(11) . . . .
O62 Mn6 O61 C610 173.2(6) . . . .
O62 C622 C623 C624 -176.6(8) . . . .
O63 Mn6 O61 C610 78.8(6) . . . .
O63 Mn6 O62 C622 -91.2(6) . . . .
N11 Mn1 O11 C110 -13.7(6) . . . .
N11 C118 C119 N12 41.9(8) . . . .
N12 Mn1 O12 C122 -24.9(6) . . . .
N12 C120 C121 C122 -8.1(13) . . . .
N12 C120 C121 C127 170.9(8) . . . .
N21 C218 C219 N22 -44.1(7) . . . .
N22 Mn2 O22 C222 6.6(6) . . . .
N22 C220 C221 C222 7.2(12) . . . .
N22 C220 C221 C227 -172.6(7) . . . .
N31 Mn3 O31 C310 0.7(6) . . . .
N31 Mn3 O32 C322 -87.3(12) . . . .
N31 C318 C319 N32 43.8(8) . . . .
N32 Mn3 O31 C310 60.1(13) . . . .
N32 Mn3 O32 C322 -33.2(6) . . . .
N32 C320 C321 C322 -10.6(12) . . . .
N32 C320 C321 C327 174.3(7) . . . .
N41 Mn4 O41 C410 -5.9(6) . . . .
N41 Mn4 O42 C422 89.6(13) . . . .
N41 C418 C419 N42 -40.9(9) . . . .
N42 Mn4 O41 C410 -63.8(15) . . . .
N42 Mn4 O42 C422 36.2(5) . . . .
N42 C420 C421 C422 9.0(12) . . . .
N42 C420 C421 C427 -175.6(8) . . . .
N51 Mn5 O51 C510 4.4(6) . . . .
N51 C518 C519 N52 -42.0(9) . . . .
N52 Mn5 O52 C522 25.7(7) . . . .
N52 C520 C521 C522 4.4(12) . . . .
N52 C520 C521 C527 -177.9(7) . . . .
N61 Mn6 O61 C610 -6.3(6) . . . .
N61 C618 C619 N62 38.2(10) . . . .
N62 Mn6 O62 C622 -7.5(7) . . . .
N62 C620 C621 C622 -2.5(13) . . . .
N62 C620 C621 C627 177.7(8) . . . .
N711 Mn1 O11 C110 73.4(6) . . . .
N711 Mn1 O12 C122 -111.9(6) . . . .
N712 Mn2 O22 C222 98.6(6) . . . .
N713 Mn3 O31 C310 -88.9(6) . . . .
N713 Mn3 O32 C322 58.7(6) . . . .
N714 Mn4 O41 C410 85.4(6) . . . .
N714 Mn4 O42 C422 -55.3(5) . . . .
N715 Mn5 O51 C510 94.8(6) . . . .
N715 Mn5 O52 C522 -64.5(7) . . . .
N716 Mn6 O61 C610 -93.4(6) . . . .
N716 Mn6 O62 C622 82.3(6) . . . .
C110 C111 C112 C113 2.5(15) . . . .
C110 C116 C117 N11 -6.4(13) . . . .
C111 C110 C116 C115 0.2(11) . . . .
C111 C110 C116 C117 -177.6(8) . . . .
C111 C112 C113 C114 177.2(9) . . . .
C111 C112 C113 C115 -0.7(15) . . . .
C112 C113 C115 C116 -1.3(13) . . . .
C113 C115 C116 C110 1.5(12) . . . .
C113 C115 C116 C117 179.5(8) . . . .
C114 C113 C115 C116 -179.2(8) . . . .
C115 C116 C117 N11 175.7(8) . . . .
C116 C110 C111 C112 -2.2(13) . . . .
C117 N11 C118 C119 150.3(7) . . . .
C118 N11 C117 C116 177.5(8) . . . .
C119 N12 C120 C121 180.0(7) . . . .
C120 N12 C119 C118 143.5(7) . . . .
C120 C121 C122 O12 -3.2(13) . . . .
C120 C121 C122 C123 179.1(8) . . . .
C120 C121 C127 C125 -177.7(9) . . . .
C121 C122 C123 C124 -2.1(13) . . . .
C122 C121 C127 C125 1.3(15) . . . .
C122 C123 C124 C125 2.7(15) . . . .
C123 C124 C125 C126 -179.6(10) . . . .
C123 C124 C125 C127 -1.2(17) . . . .
C124 C125 C127 C121 -0.8(17) . . . .
C126 C125 C127 C121 177.5(10) . . . .
C127 C121 C122 O12 177.8(8) . . . .
C127 C121 C122 C123 0.2(12) . . . .
C210 C211 C212 C213 0.5(14) . . . .
C210 C216 C217 N21 9.9(12) . . . .
C211 C210 C216 C215 2.3(11) . . . .
C211 C210 C216 C217 177.6(7) . . . .
C211 C212 C213 C214 179.6(9) . . . .
C211 C212 C213 C215 0.8(14) . . . .
C212 C213 C215 C216 -0.6(13) . . . .
C213 C215 C216 C210 -1.0(12) . . . .
C213 C215 C216 C217 -176.5(7) . . . .
C214 C213 C215 C216 -179.4(8) . . . .
C215 C216 C217 N21 -174.8(7) . . . .
C216 C210 C211 C212 -2.1(11) . . . .
C217 N21 C218 C219 -137.3(7) . . . .
C218 N21 C217 C216 -177.6(7) . . . .
C219 N22 C220 C221 -177.8(7) . . . .
C220 N22 C219 C218 -152.0(6) . . . .
C220 C221 C222 O22 0.2(11) . . . .
C220 C221 C222 C223 178.7(7) . . . .
C220 C221 C227 C225 177.6(8) . . . .
C221 C222 C223 C224 5.0(11) . . . .
C222 C221 C227 C225 -2.2(13) . . . .
C222 C223 C224 C225 -5.0(13) . . . .
C223 C224 C225 C226 179.6(8) . . . .
C223 C224 C225 C227 1.1(13) . . . .
C224 C225 C227 C221 2.4(13) . . . .
C226 C225 C227 C221 -176.0(9) . . . .
C227 C221 C222 O22 180.0(7) . . . .
C227 C221 C222 C223 -1.5(10) . . . .
C310 C311 C312 C313 1.3(15) . . . .
C310 C316 C317 N31 -0.5(12) . . . .
C311 C310 C316 C315 3.1(11) . . . .
C311 C310 C316 C317 179.1(7) . . . .
C311 C312 C313 C314 -176.7(10) . . . .
C311 C312 C313 C315 0.5(14) . . . .
C312 C313 C315 C316 -0.3(14) . . . .
C313 C315 C316 C310 -1.5(13) . . . .
C313 C315 C316 C317 -177.6(8) . . . .
C314 C313 C315 C316 176.7(9) . . . .
C315 C316 C317 N31 175.5(8) . . . .
C316 C310 C311 C312 -3.0(12) . . . .
C317 N31 C318 C319 151.1(7) . . . .
C318 N31 C317 C316 175.5(7) . . . .
C319 N32 C320 C321 175.4(7) . . . .
C320 N32 C319 C318 147.5(7) . . . .
C320 C321 C322 O32 -2.6(11) . . . .
C320 C321 C322 C323 -177.8(7) . . . .
C320 C321 C327 C325 177.3(8) . . . .
C321 C322 C323 C324 1.8(11) . . . .
C322 C321 C327 C325 2.0(12) . . . .
C322 C323 C324 C325 0.2(14) . . . .
C323 C324 C325 C326 178.7(9) . . . .
C323 C324 C325 C327 -1.0(15) . . . .
C324 C325 C327 C321 -0.1(14) . . . .
C326 C325 C327 C321 -179.8(9) . . . .
C327 C321 C322 O32 172.4(7) . . . .
C327 C321 C322 C323 -2.8(11) . . . .
C410 C411 C412 C413 1.7(14) . . . .
C410 C416 C417 N41 0.5(11) . . . .
C411 C410 C416 C415 0.1(10) . . . .
C411 C410 C416 C417 177.7(7) . . . .
C411 C412 C413 C414 179.7(9) . . . .
C411 C412 C413 C415 -2.2(14) . . . .
C412 C413 C415 C416 1.7(13) . . . .
C413 C415 C416 C410 -0.7(12) . . . .
C413 C415 C416 C417 -178.4(7) . . . .
C414 C413 C415 C416 179.7(8) . . . .
C415 C416 C417 N41 178.1(7) . . . .
C416 C410 C411 C412 -0.6(11) . . . .
C417 N41 C418 C419 -153.8(7) . . . .
C418 N41 C417 C416 -174.5(7) . . . .
C419 N42 C420 C421 -176.9(7) . . . .
C420 N42 C419 C418 -142.7(8) . . . .
C420 C421 C422 O42 2.1(11) . . . .
C420 C421 C422 C423 179.1(7) . . . .
C420 C421 C427 C425 -177.1(8) . . . .
C421 C422 C423 C424 -3.0(12) . . . .
C422 C421 C427 C425 -1.7(12) . . . .
C422 C423 C424 C425 0.2(14) . . . .
C423 C424 C425 C426 -174.4(9) . . . .
C423 C424 C425 C427 2.1(15) . . . .
C424 C425 C427 C421 -1.3(13) . . . .
C426 C425 C427 C421 175.1(9) . . . .
C427 C421 C422 O42 -173.2(7) . . . .
C427 C421 C422 C423 3.8(11) . . . .
C510 C511 C512 C513 3.3(15) . . . .
C510 C516 C517 N51 3.7(13) . . . .
C511 C510 C516 C515 0.8(12) . . . .
C511 C510 C516 C517 179.4(8) . . . .
C511 C512 C513 C514 178.1(9) . . . .
C511 C512 C513 C515 -2.5(15) . . . .
C512 C513 C515 C516 0.9(15) . . . .
C513 C515 C516 C510 -0.1(14) . . . .
C513 C515 C516 C517 -178.7(9) . . . .
C514 C513 C515 C516 -179.7(10) . . . .
C515 C516 C517 N51 -177.7(8) . . . .
C516 C510 C511 C512 -2.3(13) . . . .
C517 N51 C518 C519 -150.5(8) . . . .
C518 N51 C517 C516 -176.8(7) . . . .
C519 N52 C520 C521 -176.9(7) . . . .
C520 N52 C519 C518 -143.3(7) . . . .
C520 C521 C522 O52 1.6(12) . . . .
C520 C521 C522 C523 177.9(7) . . . .
C520 C521 C527 C525 -178.9(8) . . . .
C521 C522 C523 C524 0.2(13) . . . .
C522 C521 C527 C525 -1.0(13) . . . .
C522 C523 C524 C525 0.2(16) . . . .
C523 C524 C525 C526 -179.3(10) . . . .
C523 C524 C525 C527 -0.9(16) . . . .
C524 C525 C527 C521 1.3(14) . . . .
C526 C525 C527 C521 179.6(9) . . . .
C527 C521 C522 O52 -176.1(7) . . . .
C527 C521 C522 C523 0.2(11) . . . .
C610 C611 C612 C613 2.0(14) . . . .
C610 C616 C617 N61 -1.6(12) . . . .
C611 C610 C616 C615 0.3(11) . . . .
C611 C610 C616 C617 178.0(7) . . . .
C611 C612 C613 C614 177.4(9) . . . .
C611 C612 C613 C615 -0.6(14) . . . .
C612 C613 C615 C616 -1.0(14) . . . .
C613 C615 C616 C610 1.1(13) . . . .
C613 C615 C616 C617 -176.7(8) . . . .
C614 C613 C615 C616 -179.0(9) . . . .
C615 C616 C617 N61 176.1(8) . . . .
C616 C610 C611 C612 -1.8(11) . . . .
C617 N61 C618 C619 154.0(8) . . . .
C618 N61 C617 C616 176.0(7) . . . .
C619 N62 C620 C621 175.7(7) . . . .
C620 N62 C619 C618 158.7(7) . . . .
C620 C621 C622 O62 -4.1(12) . . . .
C620 C621 C622 C623 178.1(7) . . . .
C620 C621 C627 C625 179.9(8) . . . .
C621 C622 C623 C624 1.3(12) . . . .
C622 C621 C627 C625 0.2(13) . . . .
C622 C623 C624 C625 1.5(15) . . . .
C623 C624 C625 C626 173.1(9) . . . .
C623 C624 C625 C627 -3.5(15) . . . .
C624 C625 C627 C621 2.6(14) . . . .
C626 C625 C627 C621 -174.0(9) . . . .
C627 C621 C622 O62 175.7(7) . . . .
C627 C621 C622 C623 -2.1(11) . . . .
N810 Mn1 O11 C110 -94.4(9) . . . .
N810 Mn1 O12 C122 61.3(13) . . . .
