Reaction of metallophosphanide anions with MLnX (X = halide) species as a simple route to heterometallic transition metal complexes
Birte Ahrens; Jacqueline M. Cole; Jonathan P. Hickey; James N. Martin; Martin J. Mays; Paul R. Raithby; Simon J. Teat; Anthony D. Woods; Dalton Trans.  (2003) 1389–1395; doi:10.1039/b211243d

data_7012476
_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            'C40 H25 Au O10 Os3 P2'
_chemical_formula_weight         1495.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.6710(10)
_cell_angle_beta                 103.7790(10)
_cell_angle_gamma                111.1270(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0320(2)
_cell_length_b                   13.9040(2)
_cell_length_c                   16.4300(4)
_cell_measurement_temperature    180(2)
_cell_volume                     2040.47(7)
_computing_cell_refinement       DENZO
_computing_data_collection       'Bruker Nonius control software'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1991)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-93 (Sheldrick, 1993)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Nonius Kappa CCD Diffractometer'
_diffrn_measurement_method       'Combined phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0666
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26465
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    13.028
_exptl_absorpt_correction_T_max  0.4624
_exptl_absorpt_correction_T_min  0.1213
_exptl_absorpt_correction_type   SORTAV
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.168
_refine_diff_density_min         -3.752
_refine_diff_density_rms         0.236
_refine_ls_extinction_coef       0.00106(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         8336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0525P)^2^+1.4713P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                7673
_reflns_number_total             8336
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211243d.txt
_cod_data_source_block           for_complex_10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012476