Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.
Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra; Dalton transactions (Cambridge, England : 2003) 49 (2020) 16464–16473; doi:10.1039/d0dt02416c

data_7705269
_publ_section_title
;
 Inorganic clusters as metalloligands: ligand effects on the synthesis and
 properties of ternary nanopropeller clusters.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16464
_journal_page_last               16473
_journal_paper_doi               10.1039/d0dt02416c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C30 H30 Co4 N6 P6 Se4'
_chemical_formula_sum            'C66 H72 Co4 N4 O6 P4 Se2'
_chemical_formula_weight         1534.79
_chemical_name_systematic        Co4Se2(CO)6(Ph2PNHiPr)4
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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;
2020-07-06 deposited with the CCDC.	2020-08-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.433(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.463(3)
_cell_length_b                   16.532(3)
_cell_length_c                   19.790(3)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.46
_cell_measurement_theta_min      2.46
_cell_measurement_wavelength     0.71073
_cell_volume                     7303(2)
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       '\f or \w oscillation scans'
_diffrn_orient_matrix_UB_11      0.066833
_diffrn_orient_matrix_UB_12      -0.01983
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_diffrn_orient_matrix_UB_22      -0.070067
_diffrn_orient_matrix_UB_23      0.010012
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_diffrn_orient_matrix_UB_32      -0.018769
_diffrn_orient_matrix_UB_33      -0.04555
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0932
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_diffrn_reflns_limit_h_min       -28
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.483
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_diffrn_source                   'sealed x-ray tube'
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_exptl_absorpt_coefficient_mu    2.025
_exptl_absorpt_correction_T_max  0.745
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.243
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     394
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_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.1276
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0860P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1756
_reflns_Friedel_coverage         0
_reflns_number_gt                4153
_reflns_number_total             7522
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02416c2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7705267--7705273.cif.'
_cod_original_cell_volume        7302.9(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7705269
_shelx_estimated_absorpt_t_min   0.738
_shelx_estimated_absorpt_t_max   0.823
_shelx_res_checksum              8564
_shelx_fab_checksum              89878