#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:08:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179828 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/24/7012474.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_7012474
loop_
_publ_author_name
'Birte Ahrens'
'Jacqueline M. Cole'
'Jonathan P. Hickey'
'James N. Martin'
'Martin J. Mays'
'Paul R. Raithby'
'Simon J. Teat'
'Anthony D. Woods'
_publ_section_title
;
 Reaction of metallophosphanide anions with MLnX (X = halide) species
 as a simple route to heterometallic transition metal complexes
;
_journal_issue                   7
_journal_name_full               'Dalton Trans.'
_journal_page_first              1389
_journal_page_last               1395
_journal_paper_doi               10.1039/b211243d
_journal_year                    2003
_chemical_formula_sum            'C30 H21 Co Mn Mo O11 P'
_chemical_formula_weight         798.25
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 108.314(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2152(5)
_cell_length_b                   10.9665(3)
_cell_length_c                   19.4998(4)
_cell_measurement_temperature    180(2)
_cell_volume                     3088.88(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection
; 
"Collect" data collection software, Nonius' B.V., 1998. 
;
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1995)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            25149
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.445
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  1.059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'from symmetry-related measurements, SORTAV (Blessing 1995)'
_exptl_crystal_colour            'very dark'
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.842
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.155
_refine_ls_goodness_of_fit_obs   1.217
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         7038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      4.057
_refine_ls_restrained_S_obs      1.217
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_obs          0.0436
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²+5.6190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.3235
_refine_ls_wR_factor_obs         0.0877
_reflns_number_observed          5826
_reflns_number_total             7053
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b211243d.txt
_cod_data_source_block           for_complex_6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+5.6190P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+5.6190P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7012474
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mo1 Mo -0.30277(12) -0.38643(5) 0.30523(8) 0.0199(2) Uani 0.806(6) d P 1
Co1 Co -0.18009(3) -0.46185(4) 0.24472(2) 0.02069(12) Uani 0.806(6) d P 1
Mn1 Mn -0.35176(4) -0.42557(5) 0.15160(3) 0.02560(14) Uani 0.806(6) d P 1
Mo1' Mo -0.3417(5) -0.3805(2) 0.2812(3) 0.0225(10) Uani 0.194(6) d P 2
Co1' Co -0.35176(4) -0.42557(5) 0.15160(3) 0.02560(14) Uani 0.194(6) d P 2
Mn1' Mn -0.18009(3) -0.46185(4) 0.24472(2) 0.02069(12) Uani 0.194(6) d P 2
P1 P -0.21891(6) -0.45951(7) 0.12634(4) 0.0219(2) Uani 1 d . .
C1 C -0.3833(2) -0.5849(3) 0.1279(2) 0.0298(8) Uani 1 d . .
O1 O -0.4034(2) -0.6846(2) 0.11509(15) 0.0452(7) Uani 1 d . .
C2 C -0.3948(3) -0.3458(4) 0.0674(2) 0.0390(9) Uani 1 d . .
O2 O -0.4207(3) -0.2917(3) 0.0151(2) 0.0707(11) Uani 1 d . .
C3 C -0.4706(3) -0.4165(4) 0.1599(3) 0.0298(11) Uani 0.806(6) d P 1
O3 O -0.5450(2) -0.4130(3) 0.1607(2) 0.0488(7) Uani 0.806(6) d P 1
C3' C -0.4621(16) -0.3935(21) 0.1996(14) 0.039(5) Uiso 0.194(6) d P 2
O3' O -0.5450(2) -0.4130(3) 0.1607(2) 0.0488(7) Uani 0.194(6) d P 2
C4 C -0.1720(3) -0.6264(3) 0.2558(2) 0.0321(8) Uani 1 d . .
O4 O -0.1670(3) -0.7282(3) 0.2644(2) 0.0620(10) Uani 1 d . .
C5 C -0.0598(3) -0.4311(3) 0.2625(2) 0.0313(8) Uani 1 d . .
O5 O 0.0171(2) -0.4184(3) 0.2717(2) 0.0543(8) Uani 1 d . .
C6 C -0.1775(3) -0.4386(4) 0.3638(2) 0.0248(10) Uani 0.806(6) d P 1
O6 O -0.1100(2) -0.4651(3) 0.41064(13) 0.0399(7) Uani 0.806(6) d P 1
C6' C -0.1407(15) -0.4748(19) 0.3498(11) 0.031(5) Uiso 0.194(6) d P 2
O6' O -0.1100(2) -0.4651(3) 0.41064(13) 0.0399(7) Uani 0.194(6) d P 2
C7 C -0.3390(3) -0.5611(3) 0.2843(2) 0.0287(8) Uani 1 d . .
O7 O -0.3580(2) -0.6622(2) 0.28405(14) 0.0404(7) Uani 1 d . .
C8 C -0.1385(4) 0.0002(4) 0.3465(3) 0.064(2) Uani 1 d . .
H8A H -0.1788(4) 0.0639(14) 0.3552(17) 0.096 Uiso 1 calc R .
H8B H -0.1027(19) 0.0332(21) 0.3167(9) 0.096 Uiso 1 calc R .
H8C H -0.0960(17) -0.0280(8) 0.3927(9) 0.096 Uiso 1 calc R .
O8 O -0.1945(2) -0.1013(3) 0.3091(2) 0.0607(10) Uani 1 d . .
C9 C -0.1514(3) -0.1940(3) 0.2911(2) 0.0365(9) Uani 1 d . .
O9 O -0.0700(3) -0.1942(3) 0.3028(3) 0.140(3) Uani 1 d . .
C10 C -0.2152(2) -0.2907(3) 0.2510(2) 0.0222(7) Uani 1 d . .
C11 C -0.3055(2) -0.2718(3) 0.2060(2) 0.0241(7) Uani 1 d . .
C12 C -0.3515(3) -0.1513(3) 0.1859(2) 0.0330(8) Uani 1 d . .
O12 O -0.4270(2) -0.1225(2) 0.1878(2) 0.0447(7) Uani 1 d . .
C13 C -0.3381(4) 0.0412(4) 0.1352(4) 0.095(2) Uani 1 d . .
H13A H -0.2945(16) 0.0874(17) 0.1175(26) 0.142 Uiso 1 calc R .
H13B H -0.3483(32) 0.0844(17) 0.1760(7) 0.142 Uiso 1 calc R .
H13C H -0.3971(18) 0.0329(5) 0.0963(18) 0.142 Uiso 1 calc R .
O13 O -0.3004(2) -0.0788(3) 0.1584(2) 0.0645(10) Uani 1 d . .
C14 C -0.3353(3) -0.3951(4) 0.4100(2) 0.0415(10) Uani 1 d . .
H14 H -0.3081(3) -0.4592(4) 0.4425(2) 0.050 Uiso 1 calc R 1
C15 C -0.4226(3) -0.3981(4) 0.3564(2) 0.0405(10) Uani 1 d . .
H15 H -0.4653(3) -0.4640(4) 0.3466(2) 0.049 Uiso 1 calc R 1
C16 C -0.4350(3) -0.2854(4) 0.3201(2) 0.0418(10) Uani 1 d . .
H16 H -0.4874(3) -0.2620(4) 0.2810(2) 0.050 Uiso 1 calc R 1
C17 C -0.3565(3) -0.2137(3) 0.3517(2) 0.0364(9) Uani 1 d . .
H17 H -0.3468(3) -0.1330(3) 0.3378(2) 0.044 Uiso 1 calc R 1
C18 C -0.2955(3) -0.2802(4) 0.4066(2) 0.0426(10) Uani 1 d . .
H18 H -0.2369(3) -0.2531(4) 0.4369(2) 0.051 Uiso 1 calc R 1
C19 C -0.2123(2) -0.5978(3) 0.0759(2) 0.0246(7) Uani 1 d . .
C20 C -0.1402(3) -0.6798(3) 0.1014(2) 0.0288(8) Uani 1 d . .
H20 H -0.0956(3) -0.6677(3) 0.1475(2) 0.035 Uiso 1 calc R .
C21 C -0.1329(3) -0.7800(3) 0.0596(2) 0.0358(9) Uani 1 d . .
H21 H -0.0833(3) -0.8361(3) 0.0770(2) 0.043 Uiso 1 calc R .
C22 C -0.1985(3) -0.7976(4) -0.0076(2) 0.0441(10) Uani 1 d . .
H22 H -0.1934(3) -0.8656(4) -0.0362(2) 0.053 Uiso 1 calc R .
C23 C -0.2710(3) -0.7171(4) -0.0330(2) 0.0474(11) Uani 1 d . .
H23 H -0.3161(3) -0.7303(4) -0.0787(2) 0.057 Uiso 1 calc R .
C24 C -0.2781(3) -0.6162(4) 0.0085(2) 0.0379(9) Uani 1 d . .
H24 H -0.3276(3) -0.5601(4) -0.0091(2) 0.045 Uiso 1 calc R .
C25 C -0.1549(2) -0.3530(3) 0.0879(2) 0.0263(7) Uani 1 d . .
C26 C -0.1541(3) -0.2289(3) 0.1034(2) 0.0447(11) Uani 1 d . .
H26 H -0.1938(3) -0.1979(3) 0.1285(2) 0.054 Uiso 1 calc R .
C27 C -0.0956(4) -0.1504(4) 0.0825(2) 0.0504(12) Uani 1 d . .
H27 H -0.0947(4) -0.0662(4) 0.0942(2) 0.061 Uiso 1 calc R .
C28 C -0.0392(3) -0.1933(4) 0.0452(2) 0.0415(10) Uani 1 d . .
H28 H 0.0016(3) -0.1393(4) 0.0321(2) 0.050 Uiso 1 calc R .
C29 C -0.0420(3) -0.3141(4) 0.0268(2) 0.0472(11) Uani 1 d . .
H29 H -0.0039(3) -0.3436(4) 0.0000(2) 0.057 Uiso 1 calc R .
C30 C -0.1006(3) -0.3936(4) 0.0473(2) 0.0387(9) Uani 1 d . .
H30 H -0.1034(3) -0.4768(4) 0.0333(2) 0.046 Uiso 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'
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'
Co Co 0.3494 0.9721 '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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 Mo1 C7 89.7(2) . . ?
C6 Mo1 C10 78.3(2) . . ?
C7 Mo1 C10 121.73(13) . . ?
C6 Mo1 C14 84.8(2) . . ?
C7 Mo1 C14 91.13(14) . . ?
C10 Mo1 C14 142.4(2) . . ?
C6 Mo1 C18 82.5(2) . . ?
C7 Mo1 C18 127.23(15) . . ?
C10 Mo1 C18 107.59(14) . . ?
C14 Mo1 C18 36.33(15) . . ?
C6 Mo1 C11 113.9(2) . . ?
C7 Mo1 C11 114.93(13) . . ?
C10 Mo1 C11 35.98(12) . . ?
C14 Mo1 C11 146.83(14) . . ?
C18 Mo1 C11 115.87(14) . . ?
C6 Mo1 C15 118.5(2) . . ?
C7 Mo1 C15 80.41(14) . . ?
C10 Mo1 C15 153.87(14) . . ?
C14 Mo1 C15 35.69(15) . . ?
C18 Mo1 C15 59.16(15) . . ?
C11 Mo1 C15 125.3(2) . . ?
C6 Mo1 C17 113.5(2) . . ?
C7 Mo1 C17 137.97(15) . . ?
C10 Mo1 C17 97.87(12) . . ?
C14 Mo1 C17 58.84(14) . . ?
C18 Mo1 C17 34.78(14) . . ?
C11 Mo1 C17 88.12(13) . . ?
C15 Mo1 C17 57.91(14) . . ?
C6 Mo1 C16 139.4(2) . . ?
C7 Mo1 C16 106.3(2) . . ?
C10 Mo1 C16 119.66(14) . . ?
C14 Mo1 C16 58.43(15) . . ?
C18 Mo1 C16 57.91(15) . . ?
C11 Mo1 C16 93.17(14) . . ?
C15 Mo1 C16 34.55(14) . . ?
C17 Mo1 C16 34.30(14) . . ?
C6 Mo1 Co1 58.50(14) . . ?
C7 Mo1 Co1 78.24(10) . . ?
C10 Mo1 Co1 46.84(8) . . ?
C14 Mo1 Co1 141.43(13) . . ?
C18 Mo1 Co1 134.78(13) . . ?
C11 Mo1 Co1 67.84(8) . . ?
C15 Mo1 Co1 158.42(10) . . ?
C17 Mo1 Co1 143.64(10) . . ?
C16 Mo1 Co1 160.13(12) . . ?
C6 Mo1 Mn1 116.48(14) . . ?
C7 Mo1 Mn1 71.37(10) . . ?
C10 Mo1 Mn1 64.59(8) . . ?
C14 Mo1 Mn1 151.45(13) . . ?
C18 Mo1 Mn1 155.30(12) . . ?
C11 Mo1 Mn1 43.60(8) . . ?
C15 Mo1 Mn1 116.94(13) . . ?
C17 Mo1 Mn1 120.81(12) . . ?
C16 Mo1 Mn1 104.03(12) . . ?
Co1 Mo1 Mn1 58.42(2) . . ?
C5 Co1 C4 97.9(2) . . ?
C5 Co1 C10 95.1(2) . . ?
C4 Co1 C10 161.91(14) . . ?
C5 Co1 P1 97.04(11) . . ?
C4 Co1 P1 97.02(11) . . ?
C10 Co1 P1 93.74(9) . . ?
C5 Co1 C6 95.2(2) . . ?
C4 Co1 C6 90.6(2) . . ?
C10 Co1 C6 75.70(14) . . ?
P1 Co1 C6 164.50(12) . . ?
C5 Co1 Mo1 132.93(11) . . ?
C4 Co1 Mo1 106.83(11) . . ?
C10 Co1 Mo1 55.13(9) . . ?
P1 Co1 Mo1 118.21(5) . . ?
C6 Co1 Mo1 46.38(14) . . ?
C5 Co1 Mn1 144.95(12) . . ?
C4 Co1 Mn1 103.96(12) . . ?
C10 Co1 Mn1 71.15(10) . . ?
P1 Co1 Mn1 53.68(3) . . ?
C6 Co1 Mn1 111.38(12) . . ?
Mo1 Co1 Mn1 65.38(4) . . ?
C2 Mn1 C1 104.1(2) . . ?
C2 Mn1 C3 88.2(2) . . ?
C1 Mn1 C3 83.6(2) . . ?
C2 Mn1 C11 92.3(2) . . ?
C1 Mn1 C11 163.54(14) . . ?
C3 Mn1 C11 95.6(2) . . ?
C2 Mn1 P1 88.58(13) . . ?
C1 Mn1 P1 88.20(11) . . ?
C3 Mn1 P1 170.2(2) . . ?
C11 Mn1 P1 93.74(10) . . ?
C2 Mn1 Co1 133.26(14) . . ?
C1 Mn1 Co1 98.64(11) . . ?
C3 Mn1 Co1 135.03(15) . . ?
C11 Mn1 Co1 70.29(10) . . ?
P1 Mn1 Co1 51.63(2) . . ?
C2 Mn1 Mo1 141.23(13) . . ?
C1 Mn1 Mo1 111.48(11) . . ?
C3 Mn1 Mo1 81.0(2) . . ?
C11 Mn1 Mo1 52.38(9) . . ?
P1 Mn1 Mo1 107.13(4) . . ?
Co1 Mn1 Mo1 56.20(3) . . ?
C7 Mo1' C3' 87.6(7) . . ?
C7 Mo1' C16 119.9(2) . . ?
C3' Mo1' C16 76.7(7) . . ?
C7 Mo1' C11 125.6(2) . . ?
C3' Mo1' C11 82.0(7) . . ?
C16 Mo1' C11 109.2(2) . . ?
C7 Mo1' C15 84.5(2) . . ?
C3' Mo1' C15 87.7(7) . . ?
C16 Mo1' C15 38.2(2) . . ?
C11 Mo1' C15 147.4(3) . . ?
C7 Mo1' C17 140.2(2) . . ?
C3' Mo1' C17 106.7(7) . . ?
C16 Mo1' C17 36.30(15) . . ?
C11 Mo1' C17 93.50(15) . . ?
C15 Mo1' C17 60.00(15) . . ?
C7 Mo1' C10 114.0(2) . . ?
C3' Mo1' C10 115.8(7) . . ?
C16 Mo1' C10 125.1(2) . . ?
C11 Mo1' C10 35.38(13) . . ?
C15 Mo1' C10 149.5(3) . . ?
C17 Mo1' C10 93.2(2) . . ?
C7 Mo1' C14 84.9(2) . . ?
C3' Mo1' C14 122.0(7) . . ?
C16 Mo1' C14 58.7(2) . . ?
C11 Mo1' C14 143.9(3) . . ?
C15 Mo1' C14 34.3(2) . . ?
C17 Mo1' C14 55.8(2) . . ?
C10 Mo1' C14 119.7(3) . . ?
C7 Mo1' Co1' 80.16(15) . . ?
C3' Mo1' Co1' 56.2(7) . . ?
C16 Mo1' Co1' 128.7(4) . . ?
C11 Mo1' Co1' 50.11(12) . . ?
C15 Mo1' Co1' 141.0(4) . . ?
C17 Mo1' Co1' 138.7(2) . . ?
C10 Mo1' Co1' 68.61(9) . . ?
C14 Mo1' Co1' 165.01(14) . . ?
C7 Mo1' C18 113.7(3) . . ?
C3' Mo1' C18 133.6(7) . . ?
C16 Mo1' C18 56.9(2) . . ?
C11 Mo1' C18 111.7(2) . . ?
C15 Mo1' C18 56.4(2) . . ?
C17 Mo1' C18 32.31(15) . . ?
C10 Mo1' C18 93.3(3) . . ?
C14 Mo1' C18 32.29(15) . . ?
Co1' Mo1' C18 161.1(2) . . ?
C7 Mo1' Mn1' 71.9(2) . . ?
C3' Mo1' Mn1' 114.4(7) . . ?
C16 Mo1' Mn1' 165.2(3) . . ?
C11 Mo1' Mn1' 64.80(13) . . ?
C15 Mo1' Mn1' 146.1(3) . . ?
C17 Mo1' Mn1' 128.9(3) . . ?
C10 Mo1' Mn1' 42.14(11) . . ?
C14 Mo1' Mn1' 117.4(3) . . ?
Co1' Mo1' Mn1' 59.07(5) . . ?
C18 Mo1' Mn1' 111.4(3) . . ?
C2 Co1' C1 104.1(2) . . ?
C2 Co1' C11 92.3(2) . . ?
C1 Co1' C11 163.54(14) . . ?
C2 Co1' C3' 101.8(6) . . ?
C1 Co1' C3' 94.9(6) . . ?
C11 Co1' C3' 80.0(6) . . ?
C2 Co1' P1 88.58(13) . . ?
C1 Co1' P1 88.20(11) . . ?
C11 Co1' P1 93.74(10) . . ?
C3' Co1' P1 168.0(6) . . ?
C2 Co1' Mo1' 135.1(2) . . ?
C1 Co1' Mo1' 111.53(12) . . ?
C11 Co1' Mo1' 53.46(11) . . ?
C3' Co1' Mo1' 50.0(7) . . ?
P1 Co1' Mo1' 118.2(2) . . ?
C2 Co1' Mn1' 133.26(14) . . ?
C1 Co1' Mn1' 98.64(11) . . ?
C11 Co1' Mn1' 70.29(10) . . ?
C3' Co1' Mn1' 116.4(6) . . ?
P1 Co1' Mn1' 51.63(2) . . ?
Mo1' Co1' Mn1' 67.4(2) . . ?
C5 Mn1' C4 97.9(2) . . ?
C5 Mn1' C6' 81.5(7) . . ?
C4 Mn1' C6' 79.4(6) . . ?
C5 Mn1' C10 95.1(2) . . ?
C4 Mn1' C10 161.91(14) . . ?
C6' Mn1' C10 90.2(6) . . ?
C5 Mn1' P1 97.04(11) . . ?
C4 Mn1' P1 97.02(11) . . ?
C6' Mn1' P1 175.9(7) . . ?
C10 Mn1' P1 93.74(9) . . ?
C5 Mn1' Co1' 144.95(12) . . ?
C4 Mn1' Co1' 103.96(12) . . ?
C6' Mn1' Co1' 129.0(7) . . ?
C10 Mn1' Co1' 71.15(10) . . ?
P1 Mn1' Co1' 53.68(3) . . ?
C5 Mn1' Mo1' 142.1(2) . . ?
C4 Mn1' Mo1' 107.85(12) . . ?
C6' Mn1' Mo1' 76.7(7) . . ?
C10 Mn1' Mo1' 54.89(10) . . ?
P1 Mn1' Mo1' 106.57(15) . . ?
Co1' Mn1' Mo1' 53.54(15) . . ?
C25 P1 C19 100.58(15) . . ?
C25 P1 Co1 115.93(11) . . ?
C19 P1 Co1 120.92(11) . . ?
C25 P1 Mn1' 115.93(11) . . ?
C19 P1 Mn1' 120.92(11) . . ?
C25 P1 Co1' 127.87(12) . . ?
C19 P1 Co1' 117.30(11) . . ?
Mn1' P1 Co1' 74.69(3) . . ?
C25 P1 Mn1 127.87(12) . . ?
C19 P1 Mn1 117.30(11) . . ?
Co1 P1 Mn1 74.69(3) . . ?
O1 C1 Mn1 177.9(3) . . ?
O1 C1 Co1' 177.9(3) . . ?
O2 C2 Mn1 177.7(4) . . ?
O2 C2 Co1' 177.7(4) . . ?
O3 C3 Mn1 175.9(4) . . ?
O3' C3' Mo1' 165.5(17) . . ?
O3' C3' Co1' 117.9(16) . . ?
Mo1' C3' Co1' 73.8(7) . . ?
O4 C4 Co1 178.2(3) . . ?
O4 C4 Mn1' 178.2(3) . . ?
O5 C5 Co1 175.6(3) . . ?
O5 C5 Mn1' 175.6(3) . . ?
O6 C6 Mo1 165.9(4) . . ?
O6 C6 Co1 118.9(3) . . ?
Mo1 C6 Co1 75.12(14) . . ?
O6' C6' Mn1' 168.7(15) . . ?
O7 C7 Mo1' 164.6(4) . . ?
O7 C7 Mo1 168.8(3) . . ?
C9 O8 C8 117.6(4) . . ?
O9 C9 O8 121.8(4) . . ?
O9 C9 C10 124.8(4) . . ?
O8 C9 C10 113.3(3) . . ?
C11 C10 C9 125.3(3) . . ?
C11 C10 Co1 109.7(2) . . ?
C9 C10 Co1 124.7(3) . . ?
C11 C10 Mn1' 109.7(2) . . ?
C9 C10 Mn1' 124.7(3) . . ?
C11 C10 Mo1 75.4(2) . . ?
C9 C10 Mo1 118.6(2) . . ?
Co1 C10 Mo1 78.03(11) . . ?
C11 C10 Mo1' 60.4(3) . . ?
C9 C10 Mo1' 127.3(3) . . ?
Mn1' C10 Mo1' 82.97(13) . . ?
C10 C11 C12 125.9(3) . . ?
C10 C11 Mn1 108.7(2) . . ?
C12 C11 Mn1 123.4(2) . . ?
C10 C11 Co1' 108.7(2) . . ?
C12 C11 Co1' 123.4(2) . . ?
C10 C11 Mo1' 84.2(3) . . ?
C12 C11 Mo1' 119.0(3) . . ?
Co1' C11 Mo1' 76.4(2) . . ?
C10 C11 Mo1 68.6(2) . . ?
C12 C11 Mo1 126.2(2) . . ?
Mn1 C11 Mo1 84.02(12) . . ?
O12 C12 O13 122.5(3) . . ?
O12 C12 C11 126.8(3) . . ?
O13 C12 C11 110.5(3) . . ?
C12 O13 C13 116.2(3) . . ?
C18 C14 C15 107.7(4) . . ?
C18 C14 Mo1 72.5(2) . . ?
C15 C14 Mo1 75.7(2) . . ?
C18 C14 Mo1' 77.1(2) . . ?
C15 C14 Mo1' 61.6(3) . . ?
C16 C15 C14 107.4(4) . . ?
C16 C15 Mo1' 66.5(2) . . ?
C14 C15 Mo1' 84.1(3) . . ?
C16 C15 Mo1 74.7(2) . . ?
C14 C15 Mo1 68.6(2) . . ?
C17 C16 C15 108.2(4) . . ?
C17 C16 Mo1' 81.8(3) . . ?
C15 C16 Mo1' 75.2(2) . . ?
C17 C16 Mo1 71.4(2) . . ?
C15 C16 Mo1 70.7(2) . . ?
C18 C17 C16 108.4(4) . . ?
C18 C17 Mo1' 82.9(3) . . ?
C16 C17 Mo1' 61.9(3) . . ?
C18 C17 Mo1 69.1(2) . . ?
C16 C17 Mo1 74.3(2) . . ?
C17 C18 C14 108.3(4) . . ?
C17 C18 Mo1 76.1(2) . . ?
C14 C18 Mo1 71.2(2) . . ?
C17 C18 Mo1' 64.7(2) . . ?
C14 C18 Mo1' 70.6(2) . . ?
C20 C19 C24 119.8(3) . . ?
C20 C19 P1 121.1(3) . . ?
C24 C19 P1 118.9(3) . . ?
C19 C20 C21 120.1(3) . . ?
C22 C21 C20 119.7(4) . . ?
C23 C22 C21 120.5(3) . . ?
C22 C23 C24 119.9(4) . . ?
C19 C24 C23 119.9(4) . . ?
C30 C25 C26 118.2(3) . . ?
C30 C25 P1 121.3(3) . . ?
C26 C25 P1 120.3(3) . . ?
C27 C26 C25 120.3(4) . . ?
C28 C27 C26 120.6(4) . . ?
C29 C28 C27 119.9(4) . . ?
C28 C29 C30 120.0(4) . . ?
C25 C30 C29 120.9(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 C6 1.974(5) . ?
Mo1 C7 2.000(4) . ?
Mo1 C10 2.210(3) . ?
Mo1 C14 2.250(4) . ?
Mo1 C18 2.267(4) . ?
Mo1 C11 2.296(3) . ?
Mo1 C15 2.342(4) . ?
Mo1 C17 2.355(3) . ?
Mo1 C16 2.393(4) . ?
Mo1 Co1 2.6351(9) . ?
Mo1 Mn1 2.8827(14) . ?
Co1 C5 1.785(4) . ?
Co1 C4 1.817(4) . ?
Co1 C10 1.965(3) . ?
Co1 P1 2.1958(9) . ?
Co1 C6 2.325(4) . ?
Co1 Mn1 2.7013(7) . ?
Mn1 C2 1.792(4) . ?
Mn1 C1 1.833(4) . ?
Mn1 C3 1.868(5) . ?
Mn1 C11 1.999(3) . ?
Mn1 P1 2.2567(10) . ?
Mo1' C7 1.982(4) . ?
Mo1' C3' 2.02(3) . ?
Mo1' C16 2.086(5) . ?
Mo1' C11 2.093(4) . ?
Mo1' C15 2.199(4) . ?
Mo1' C17 2.342(4) . ?
Mo1' C10 2.396(5) . ?
Mo1' C14 2.487(6) . ?
Mo1' Co1' 2.533(5) . ?
Mo1' C18 2.569(7) . ?
Mo1' Mn1' 2.907(5) . ?
Co1' C2 1.792(4) . ?
Co1' C1 1.833(4) . ?
Co1' C11 1.999(3) . ?
Co1' C3' 2.19(2) . ?
Co1' P1 2.2567(10) . ?
Co1' Mn1' 2.7013(7) . ?
Mn1' C5 1.785(4) . ?
Mn1' C4 1.817(4) . ?
Mn1' C6' 1.95(2) . ?
Mn1' C10 1.965(3) . ?
Mn1' P1 2.1958(9) . ?
P1 C25 1.826(3) . ?
P1 C19 1.827(3) . ?
C1 O1 1.142(4) . ?
C2 O2 1.139(5) . ?
C3 O3 1.137(5) . ?
C3' O3' 1.27(2) . ?
C4 O4 1.128(4) . ?
C5 O5 1.135(4) . ?
C6 O6 1.177(5) . ?
C6' O6' 1.14(2) . ?
C7 O7 1.145(4) . ?
C8 O8 1.451(5) . ?
O8 C9 1.315(5) . ?
C9 O9 1.186(5) . ?
C9 C10 1.484(5) . ?
C10 C11 1.394(5) . ?
C11 C12 1.489(5) . ?
C12 O12 1.204(4) . ?
C12 O13 1.337(5) . ?
C13 O13 1.450(5) . ?
C14 C18 1.408(6) . ?
C14 C15 1.410(6) . ?
C15 C16 1.407(6) . ?
C16 C17 1.401(6) . ?
C17 C18 1.384(6) . ?
C19 C20 1.385(5) . ?
C19 C24 1.394(5) . ?
C20 C21 1.394(5) . ?
C21 C22 1.389(6) . ?
C22 C23 1.377(6) . ?
C23 C24 1.395(5) . ?
C25 C30 1.384(5) . ?
C25 C26 1.393(5) . ?
C26 C27 1.388(6) . ?
C27 C28 1.371(6) . ?
C28 C29 1.369(6) . ?
C29 C30 1.393(5) . ?
