Diastereoselective formation of a dipalladium(I) complex supported by a bridging tetradentate ligand, and oxidative addition of RS‒H across a phosphine-bridged Pd^I^‒Pd^I^ bond
Foo, S. Jo Ling; Jones, Nathan D.; Patrick, Brian O.; James, Brian R.; Chemical Communications (Cambridge, United Kingdom)  (2003) 988–989; doi:10.1039/b300177f

data_7113795
_publ_section_title
;
 Diastereoselective formation of a dipalladium(I) complex supported by a
 bridging tetradentate ligand, and oxidative addition of RS--H across a
 phosphine-bridged Pd^I^--Pd^I^ bond
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   8
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              988
_journal_page_last               989
_journal_paper_doi               10.1039/b300177f
_journal_year                    2003
_chemical_formula_sum            'C35 H44 Cl8 N4 P2 Pd2'
_chemical_formula_weight         1079.13
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2000-12-04
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 122.73(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   44.988(4)
_cell_length_b                   9.984(2)
_cell_length_c                   24.531(4)
_cell_measurement_reflns_used    5532
_cell_measurement_temperature    198.2
_cell_measurement_theta_max      23.04
_cell_measurement_theta_min      3.08
_cell_volume                     9269(3)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR97 (Altomare, et. al. 1998)
;
_diffrn_ambient_temperature      198.2
_diffrn_detector_area_resol_mean 11.76
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
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_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.10912
_diffrn_reflns_av_sigmaI/netI    0.180
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29756
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         23.04
_diffrn_reflns_theta_min         3.08
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.335
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
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_exptl_crystal_size_min          0.03
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_refine_ls_extinction_method     none
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_refine_ls_goodness_of_fit_ref   1.393
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_constraints    0
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_refine_ls_number_reflns         6419
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.060
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.1714
_refine_ls_wR_factor_ref         0.171
_reflns_number_gt                3341
_reflns_number_total             6419
_reflns_threshold_expression     I>3.00\s(I)
_cod_duplicate_entry             7104071
_cod_data_source_file            b300177f.txt
_cod_data_source_block           bj333/NDJ6/1
_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_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C35 H44 Cl8 N4 P2 Pd2 '
_cod_database_code               7113795