Synthesis and characterisation of high-nuclearity osmium-silver mixed-metal clusters.
Lee, Yui-Bing; Wong, Wing-Tak; Chemical communications (Cambridge, England)  (2007) 3924–3926; doi:10.1039/b709860j

data_7102168
_publ_section_title
;
 Synthesis and characterisation of high-nuclearity osmium-silver
 mixed-metal clusters.
;
_journal_issue                   38
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3924
_journal_page_last               3926
_journal_paper_doi               10.1039/b709860j
_journal_year                    2007
_chemical_formula_moiety
'C48 Ag9 O48 Os13, C36 H30 N P2, 1(C H2 Cl2), 2(H2 O)'
_chemical_formula_sum            'C85 H36 Ag9 Cl2 N O50 Os13 P2'
_chemical_formula_weight         5447.46
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.230(3)
_cell_angle_beta                 94.512(3)
_cell_angle_gamma                109.734(3)
_cell_formula_units_Z            2
_cell_length_a                   19.240(3)
_cell_length_b                   19.413(3)
_cell_length_c                   19.787(3)
_cell_measurement_reflns_used    42607
_cell_measurement_temperature    301(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.1
_cell_volume                     6795.7(18)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction
'SAINT & CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2006)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'CRYSTALS (Carruthers et al., 1999)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker SMART CCD Detector'
_diffrn_measurement_method       '\w & \f scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42607
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    13.481
_exptl_absorpt_correction_T_max  0.510
_exptl_absorpt_correction_T_min  0.376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4856.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.08
_refine_diff_density_min         -1.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1024
_refine_ls_number_reflns         13629
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.0064
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0002Fo^2^ + \s(Fo^2^) + 0.015]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                13487
_reflns_number_total             29442
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b709860j.txt
_cod_data_source_block           wt1199wreprocess
_cod_original_formula_sum        'C85 H36 Ag9 Cl2 N O50 Os13 P2 '
_cod_database_code               7102168