Platinum metal ditelluroether complexes: synthesis, spectroscopic and structural studies of [M(L‒L)2][PF6]2 [M = Pd or Pt, L‒L = RTe(CH2)3TeR (R = Me or Ph) or C6H4(TeMe)2-o], [Rh(L‒L)2Cl2]PF6, [Ru(L‒L)2X2] (X = Cl, Br or I) and [Ru(L‒L)2(PPh3)Cl]PF6
Levason, William; Orchard, Simon D.; Reid, Gillian; Tolhurst, Vicki-Ann; Journal of the Chemical Society, Dalton Transactions  (1999) 2071–; doi:10.1039/a901942a

data_7027377
_publ_contact_author
;
    Dr Gillian Reid
 Department of Chemistry
 University of Southampton
 Highfield
 Southampton
 SO17 1BJ
;
_publ_section_title
;
 Platinum metal ditelluroether complexes: synthesis, spectroscopic and
 structural studies of [M(L--L)2][PF6]2 [M&#x2005;=&#x2005;Pd or Pt,
 L--L&#x2005;=&#x2005;RTe(CH2)3TeR (R&#x2005;=&#x2005;Me or Ph) or
 C6H4(TeMe)2-o], [Rh(L--L)2Cl2]PF6, [Ru(L--L)2X2] (X&#x2005;=&#x2005;Cl,
 Br or I) and [Ru(L--L)2(PPh3)Cl]PF6
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2071
_journal_paper_doi               10.1039/a901942a
_journal_year                    1999
_chemical_formula_structural     '[RuCl(PPh~3~){MeTe(CH~2~)~3~TeMe}~2~]PF~6~'
_chemical_formula_sum            'C28 H39 Cl F6 P2 Ru Te4'
_chemical_formula_weight         1198.48
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Thu Mar 11 14:48:20 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 105.40(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.296(3)
_cell_length_b                   30.811(2)
_cell_length_c                   12.732(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    150.0
_cell_volume                     3515.8(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      150.0
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.02647
_diffrn_orient_matrix_UB_12      -0.02841
_diffrn_orient_matrix_UB_13      -0.03824
_diffrn_orient_matrix_UB_21      0.05335
_diffrn_orient_matrix_UB_22      0.00885
_diffrn_orient_matrix_UB_23      -0.05524
_diffrn_orient_matrix_UB_31      0.09436
_diffrn_orient_matrix_UB_32      -0.01297
_diffrn_orient_matrix_UB_33      0.04608
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  3.97
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6723
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.918
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.264
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2240.00
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.62
_refine_diff_density_min         -1.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.630
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         3723
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0448
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0508
_reflns_number_observed          3723
_reflns_number_total             6316
_reflns_observed_criterion       2.00
_cod_data_source_file            901942asup1.cif
_cod_data_source_block           vtol2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3515(1)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C28 H39 Cl F6 P2 Ru Te4 '
_cod_database_code               7027377
_cell_measurement_2theta_min     13.9
_cell_measurement_2theta_max     16.1
_diffrn_reflns_2theta_max        24.99