A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode For N4Py.
Lo, Warrick K. C.; Huff, Gregory S.; Preston, Dan; McMorran, David A.; Giles, Gregory I.; Gordon, Keith C.; Crowley, James D.; Inorganic chemistry 54 (2015) 6671–6673; doi:10.1021/acs.inorgchem.5b01032

data_4343521
_publ_section_title
;
 A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode
 For N4Py.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6671
_journal_page_last               6673
_journal_paper_doi               10.1021/acs.inorgchem.5b01032
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C25 H27 Cl6 N5 O Pt3 S'
_chemical_formula_weight         1243.55
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.508(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3591(8)
_cell_length_b                   14.2198(5)
_cell_length_c                   16.0344(8)
_cell_measurement_reflns_used    3378
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      73.8490
_cell_measurement_theta_min      4.1850
_cell_volume                     3541.9(3)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_detector_area_resol_mean 5.1725
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0860
_diffrn_reflns_av_sigmaI/netI    0.1319
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14378
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         74.75
_diffrn_reflns_theta_min         4.21
_diffrn_standards_number         14717
_exptl_absorpt_coefficient_mu    26.657
_exptl_absorpt_correction_T_max  0.583
_exptl_absorpt_correction_T_min  0.213
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.332
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
 Highly disordered solvent nitromethane and dimethylformamide
 molecules. The number of electrons is consistent with two
 nitromethane and four dimethylformamide molecules.  
;
_refine_diff_density_max         3.474
_refine_diff_density_min         -2.046
_refine_diff_density_rms         0.395
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.856
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         7024
_refine_ls_number_restraints     252
_refine_ls_restrained_S_all      0.846
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1115P)^2^+1.1340P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1892
_reflns_number_gt                4790
_reflns_number_total             7024
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic5b01032_si_002.cif
_cod_data_source_block           wklent228
_cod_depositor_comments
'Adding full bibliography for 4343521--4343523.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4343521