Organoplatinum(ii) complexes containing chelating or bridging bis(N-heterocyclic carbene) ligands: formation of a platinum(ii) carbonate complex by aerial CO(2) fixation.
Jamali, Sirous; Milić, Dalibor; Kia, Reza; Mazloomi, Zahra; Abdolahi, Hallimeh; Dalton transactions (Cambridge, England : 2003) 40 (2011) 9362–9365; doi:10.1039/c1dt10736d

data_7016796
_publ_section_title
;
 Organoplatinum(ii) complexes containing chelating or bridging
 bis(N-heterocyclic carbene) ligands: formation of a platinum(ii)
 carbonate complex by aerial CO(2) fixation.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9362
_journal_page_last               9365
_journal_paper_doi               10.1039/c1dt10736d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C38 H76 Ag2 Br2 N8 Pt4 S2, 3(C3 H6 O)'
_chemical_formula_sum            'C47 H94 Ag2 Br2 N8 O3 Pt4 S2'
_chemical_formula_weight         2039.34
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                74.311(3)
_cell_angle_beta                 85.741(2)
_cell_angle_gamma                79.721(3)
_cell_formula_units_Z            1
_cell_length_a                   9.8360(3)
_cell_length_b                   12.2936(4)
_cell_length_c                   13.7271(4)
_cell_measurement_reflns_used    6413
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      29.0056
_cell_measurement_theta_min      4.2007
_cell_volume                     1571.80(9)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 16.3426
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_collimation    '0.5 mm'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12100
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.07
_diffrn_reflns_theta_min         4.21
_exptl_absorpt_coefficient_mu    10.856
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.154
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.558
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.871
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         7113
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      0.867
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0178P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0486
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                5217
_reflns_number_total             7113
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c1dt10736d.txt
_cod_data_source_block           sj-20101004-5-150k-2
_cod_original_cell_volume        1571.80(8)
_cod_database_code               7016796