Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure
Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.; New Journal of Chemistry 24 (2000) 429–; doi:10.1039/b001458n

data_7052467
_publ_section_title
;
 Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I)
 and gold(I) complexes of a new methoxy functionalised
 bis(phosphino)amine: synthesis and structure
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              429
_journal_paper_doi               10.1039/b001458n
_journal_volume                  24
_journal_year                    2000
_chemical_compound_source        -
_chemical_formula_analytical     'C65 H58 Cl10 N2 O2 P4 Ru '
_chemical_formula_moiety
'C62 H54 Cl2 N2 O2 P4 Ru.(C H Cl3)2.(CH2 Cl2)'
_chemical_formula_structural     'C65 H58 Cl10 N2 O2 P4 Ru '
_chemical_formula_sum            'C65 H58 Cl10 N2 O2 P4 Ru'
_chemical_formula_weight         1478.68
_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                92.14(4)
_cell_angle_beta                 112.82(4)
_cell_angle_gamma                111.20(3)
_cell_formula_units_Z            1
_cell_length_a                   12.587(6)
_cell_length_b                   14.127(5)
_cell_length_c                   11.423(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      10.4
_cell_volume                     1707.8(16)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w
_diffrn_orient_matrix_UB_11      0.03852
_diffrn_orient_matrix_UB_12      -0.04959
_diffrn_orient_matrix_UB_13      -0.00632
_diffrn_orient_matrix_UB_21      0.08615
_diffrn_orient_matrix_UB_22      0.05750
_diffrn_orient_matrix_UB_23      0.04544
_diffrn_orient_matrix_UB_31      0.00325
_diffrn_orient_matrix_UB_32      -0.01600
_diffrn_orient_matrix_UB_33      0.08555
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.02034
_diffrn_reflns_av_sigmaI/netI    0.070
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6314
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        -3.66
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.914
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             752.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         5.26
_refine_diff_density_min         -1.22
_refine_ls_abs_structure_details -
_refine_ls_abs_structure_Flack   -
_refine_ls_extinction_coef       -
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   6.086
_refine_ls_goodness_of_fit_ref   6.086
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4071
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0874
_refine_ls_shift/esd_max         4.4590
_refine_ls_shift/esd_mean        0.0790
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1186
_refine_ls_wR_factor_ref         0.1186
_reflns_number_gt                4071
_reflns_number_total             6016
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            b001458n.txt
_cod_data_source_block           13
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00000|Fo|^2^]' 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) + 0.00000|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1708(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C65 H58 Cl10 N2 O2 P4 Ru '
_cod_database_code               7052467