Tetraplatinum precursors for supramolecular assemblies: syntheses, crystal structures, and stereoselective self-assemblies of [Pt4(micro-OCOCH3)6(kappa4-N4-DArBp)] (DArBp = 1,3-bis(arylbenzamidinate)propane).
Ohashi, Masato; Yagyu, Akihiro; Yamagata, Tsuneaki; Mashima, Kazushi; Chemical communications (Cambridge, England)  (2007) 3103–3105; doi:10.1039/b703730a

data_7102040
_publ_section_title
;
 Tetraplatinum precursors for supramolecular assemblies: syntheses,
 crystal structures, and stereoselective self-assemblies of
 [Pt4(micro-OCOCH3)6(kappa4-N4-DArBp)] (DArBp =
 1,3-bis(arylbenzamidinate)propane).
;
_journal_issue                   29
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3103
_journal_page_last               3105
_journal_paper_doi               10.1039/b703730a
_journal_year                    2007
_chemical_formula_iupac          '[(Pt4 (C2 H3 O2)6 (C37 H42 N4)] 3.0(C H Cl3) '
_chemical_formula_moiety         'C49 H60 N4 O12 Pt4, 3.0(C H Cl3) '
_chemical_formula_structural
'((C2 H3 O2)6, (C37 H42 N4), Pt4), (C H Cl3)3.0 '
_chemical_formula_sum            'C52 H63 Cl9 N4 O12 Pt4'
_chemical_formula_weight         2035.47
_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
_cell_angle_alpha                94.640(7)
_cell_angle_beta                 105.681(6)
_cell_angle_gamma                117.743(5)
_cell_formula_units_Z            2
_cell_length_a                   14.6652(18)
_cell_length_b                   14.8635(18)
_cell_length_c                   18.169(3)
_cell_measurement_reflns_used    70446
_cell_measurement_temperature    120(1)
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      3.05
_cell_volume                     3273.9(7)
_computing_cell_refinement       'Rigaku/RAPID Diffractometer Control'
_computing_data_collection       'Rigaku/RAPID Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_molecular_graphics    'Ortep-3 (Louis J. Farrugia, 2005)'
_computing_publication_material  'SHELXL-97 and modified'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    PATTY
_diffrn_ambient_temperature      120(1)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_details
;
RAPID: Eulerian 3-circle
;
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_collimation    ' 0.8 mm double pinhole '
_diffrn_radiation_detector       'imaging plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1015
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            84182
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         3.03
_diffrn_source_current           40
_diffrn_source_power             50
_exptl_absorpt_coefficient_mu    8.944
_exptl_absorpt_correction_T_max  0.412
_exptl_absorpt_correction_T_min  0.041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). ABSCOR - Program for Absorption Correction, Rigaku
Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1928
_exptl_crystal_preparation
'mounted on the CryoLoop with mineral oil and placed in N2 stream at 120(1) K'
_exptl_crystal_recrystallization_method
' crystallized form a solution of CHCl3/hexane solution at ambient temperature'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.366
_refine_diff_density_min         -4.205
_refine_diff_density_rms         0.305
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         19892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0411
_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^)+(0.0289P)^2^+11.3264P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                18413
_reflns_number_total             19892
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703730a.txt
_cod_data_source_block           Pt4(OAc)6(DtBuPhBp)_2a
_cod_original_sg_symbol_Hall     ' -P 1 '
_cod_original_sg_symbol_H-M      ' P-1 '
_cod_database_code               7102040