A facile method for the synthesis of heterobimetallic chloro-bridged complexes containing (R3P)2MCl (M = Pt or Pd) fragments
Polborn, Kurt; Severin, Kay; Journal of the Chemical Society, Dalton Transactions  (1999) 759–; doi:10.1039/a808210c

data_7027154
_publ_contact_author
;
 Kay Severin 
 Institut f\"ur Anorganische Chemie
 Universit\"at M\"unchen
 Meiserstr. 1
 80333 M\"unchen
 Bundesrepublik Deutschland
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_publ_section_title
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 A facile method for the synthesis of heterobimetallic chloro-bridged
 complexes containing (R3P)2MCl (M&#x2005;=&#x2005;Pt or Pd) fragments
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_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              759
_journal_paper_doi               10.1039/a808210c
_journal_year                    1999
_chemical_formula_moiety         'C50 H70 CL2 N2 P2 Pt Rh+   B F4-  C H2 Cl2'
_chemical_formula_sum            'C51 H72 B Cl4 F4 N2 P2 Pt Rh'
_chemical_formula_weight         1301.66
_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_date             2-02-98
_audit_creation_method           SHELXL
_audit_update_record             ' ?'
_cell_angle_alpha                103.631(13)
_cell_angle_beta                 93.331(15)
_cell_angle_gamma                103.126(13)
_cell_formula_units_Z            2
_cell_length_a                   13.072(2)
_cell_length_b                   15.041(2)
_cell_length_c                   15.622(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      9
_cell_volume                     2886.7(8)
_computing_cell_refinement       CAD4(Nonius,_1977)
_computing_data_collection       CAD4(Nonius,_1977)
_computing_data_reduction        process_MOLEN(Fair,_1990)
_computing_molecular_graphics    ZORTEP(Zsolnai,_1994)
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       Nonius_MACH3
_diffrn_measurement_method       \o-scan
_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  0.0099
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9416
_diffrn_reflns_theta_max         23.97
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        -2.5
_diffrn_standards_interval_time  7200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.993
_exptl_absorpt_correction_T_max  0.9998
_exptl_absorpt_correction_T_min  0.9120
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_description       plate
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.851
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.101
_refine_ls_goodness_of_fit_obs   1.099
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         9025
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.113
_refine_ls_restrained_S_obs      1.113
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_obs          0.0304
_refine_ls_shift/esd_max         -0.106
_refine_ls_shift/esd_mean        0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+3.7516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0859
_refine_ls_wR_factor_obs         0.0805
_reflns_number_observed          8025
_reflns_number_total             9025
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            808210csup1.cif
_cod_data_source_block           severin1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+3.7516P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+3.7516P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7027154