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_7102039
_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_moiety         'C43 H48 N4 O14 Pt4, 3(C H Cl3)'
_chemical_formula_sum            'C46 H51 Cl9 N4 O14 Pt4'
_chemical_formula_weight         1983.32
_chemical_temperature_decomposition_gt 499
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 103.096(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.432(2)
_cell_length_b                   14.2363(17)
_cell_length_c                   21.763(2)
_cell_measurement_reflns_used    95979
_cell_measurement_temperature    120(1)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.02
_cell_volume                     5863.9(11)
_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    SIR2004
_diffrn_ambient_temperature      120(1)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0865
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            120544
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.02
_diffrn_source_current           40
_diffrn_source_power             50
_exptl_absorpt_coefficient_mu    9.986
_exptl_absorpt_correction_T_max  0.3698
_exptl_absorpt_correction_T_min  0.0862
_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    2.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' platelet '
_exptl_crystal_F_000             3728
_exptl_crystal_preparation
'mounted on the CryoLoop with mineral oil and placed in N2 stream at 120(1) K'
_exptl_crystal_recrystallization_method
'slow evaporation a solution of CHCl3/hexsans at ambient temperature'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.532
_refine_diff_density_min         -1.782
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     720
_refine_ls_number_reflns         13360
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0294
_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^)+(0.0231P)^2^+21.6463P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                11963
_reflns_number_total             13360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703730a.txt
_cod_data_source_block           a
_cod_original_sg_symbol_Hall     ' -P 2yn '
_cod_original_sg_symbol_H-M      ' P21/n'
_cod_database_code               7102039