Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>)
Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W.; IUCrData 5 (2020) x201204–; doi:10.1107/S2414314620012043

data_1559021
_publ_section_title
;
 Bis(\m~4~-adamantane-1,3-dicarboxylato-1\k<i>O</i>^1^:2\k<i>O</i>^1'^:3\k<i>O</i>^3^:4\k<i>O</i>^3'^)octacarbonyl-1\k^2^<i>C</i>,2\k^2^<i>C</i>,3\k^2^<i>C</i>,4\k^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1\k<i>P</i>,2\k<i>P</i>,3\k<i>P</i>,4\k<i>P</i>-tetraosmium(I)(2
 <i>Os</i>--<i>Os</i>)
;
_journal_coeditor_code           WM4137
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x201204
_journal_paper_doi               10.1107/S2414314620012043
_journal_volume                  5
_journal_year                    2020
_chemical_formula_iupac          '[Os4 (C12 H14 O4)2 (C21 H21 P)4 (C O)8]'
_chemical_formula_moiety         'C116 H112 O16 Os4 P4'
_chemical_formula_sum            'C116 H112 O16 Os4 P4'
_chemical_formula_weight         2646.73
_chemical_name_systematic
'Bis(\m~4~-adamantane-1,3-dicarboxylato-1\k<i>O</i>^1^:2\k<i>O</i>^1'^:3\k<i>O</i>^3^:4\k<i>O</i>^3'^)octacarbonyl-1\k^2^<i>C</i>,2\k^2^<i>C</i>,3\k^2^<i>C</i>,4\k^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1\k<i>P</i>,2\k<i>P</i>,3\k<i>P</i>,4\k<i>P</i>-tetraosmium(I)(2 <i>Os</i>--<i>Os</i>)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_cell_angle_alpha                90
_cell_angle_beta                 96.7054(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.71423(13)
_cell_length_b                   17.04149(18)
_cell_length_c                   26.1784(3)
_cell_measurement_reflns_used    25347
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      77.2920
_cell_measurement_theta_min      2.6060
_cell_volume                     5633.26(11)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT2018/3</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Rigaku SuperNova, Dual, Cu, Pilatus 200/300K'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            30975
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         5.727
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.333
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2015)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_description       block
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.274
_exptl_crystal_size_mid          0.207
_exptl_crystal_size_min          0.102
_refine_diff_density_max         1.216
_refine_diff_density_min         -1.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         10059
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+7.1306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                9674
_reflns_number_total             10059
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4137sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        5633.26(10)
_cod_database_code               1559021
_shelx_estimated_absorpt_t_min   0.184
_shelx_estimated_absorpt_t_max   0.449
_cod_database_fobs_code 1559021