Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds
Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.; Organometallics 32 (2013) 5504–; doi:10.1021/om400780q

data_4089617
_publ_section_title
;
 Organoplatinum Chemistry with a Dicarboxamide--Diphosphine Ligand:
 Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal--Metal
 Donor--Acceptor Bonds
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5504
_journal_paper_doi               10.1021/om400780q
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C85.69 H81.07 Ag2 F6 N4 O9.67 P4 Pt2 S1.85'
_chemical_formula_weight         2224.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                89.381(15)
_cell_angle_beta                 74.692(14)
_cell_angle_gamma                87.635(15)
_cell_formula_units_Z            1
_cell_length_a                   9.911(3)
_cell_length_b                   14.069(4)
_cell_length_c                   15.101(4)
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_cell_measurement_temperature    110
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_cell_measurement_theta_min      2.53
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_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
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_computing_structure_solution    XS
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_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            75673
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        38.650
_diffrn_reflns_theta_max         40.383
_diffrn_reflns_theta_min         2.530
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    4.114
_exptl_absorpt_correction_T_max  0.7479
_exptl_absorpt_correction_T_min  0.5176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.175
_exptl_crystal_size_min          0.053
_refine_diff_density_max         2.660
_refine_diff_density_min         -3.547
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         24561
_refine_ls_number_restraints     14
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_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+1.4456P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0979
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19914
_reflns_number_total             24561
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om400780q_si_001.cif
_cod_data_source_block           7
_cod_original_cell_volume        2029.3(10)
_cod_database_code               4089617
_shelx_estimated_absorpt_t_min   0.392
_shelx_estimated_absorpt_t_max   0.811
_shelxl_version_number           2012-9
_shelx_res_checksum              9783
_shelx_hkl_checksum              47143