Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ~3~-[cyclohexylphosphanido(2-)]-μ-hydrido-1:2κ^2^<i>H</i>-tricyclohexylphosphine-3κ<i>P</i>-golddimanganese(<i>Mn</i>—<i>Mn</i>)
Flörke, U.; Haupt, H.-J.; Acta Crystallographica Section C 51 (1995) 573–575; doi:10.1107/S0108270194011522

data_2003356
_publ_section_title
Octacarbonyl-1\k^4^<i>C</i>,2\k^4^<i>C</i>-\m~3~-[cyclohexylphosphanido(2-)]-\m-hydrido-1:2\k^2^<i>H</i>-tricyclohexylphosphine-3\k<i>P</i>-golddimanganese(<i>Mn</i>---<i>Mn</i>)
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              573
_journal_page_last               575
_journal_paper_doi               10.1107/S0108270194011522
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C32 H45 Au Mn2 O8 P2'
_chemical_formula_sum            'C32 H45 Au Mn2 O8 P2'
_chemical_formula_weight         926.47
_chemical_name_systematic
;
Octacarbonyl-\m-hydrido-dimanganese-\m~3~-cyclohexylphosphanido-gold-tri-
cyclohexylphosphine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                76.840(10)
_cell_angle_beta                 75.110(10)
_cell_angle_gamma                71.030(10)
_cell_formula_units_Z            2
_cell_length_a                   9.684(2)
_cell_length_b                   12.764(2)
_cell_length_c                   16.773(3)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      8
_cell_volume                     1871.1(6)
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8325
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.42
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.705
_exptl_absorpt_correction_T_max  0.796
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       plate
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.764
_refine_diff_density_min         -1.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.022
_refine_ls_goodness_of_fit_obs   1.039
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         8048
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.022
_refine_ls_restrained_S_obs      1.039
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_obs          0.0397
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^) + (0.0479P)^2^ + 0.5442P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0935
_refine_ls_wR_factor_obs         0.0852
_reflns_number_observed          6528
_reflns_number_total             8048
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            jz1018.cif
_cod_data_source_block           I
_cod_database_code               2003356