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_7102042
_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
' Pt16, (C2 H3 O2)16, (C16 H16 O4 Fe)4, (C34 H48 N4)4, (H2 O)4 '
_chemical_formula_sum            'C228 H256 Fe4 N16 O52 Pt16'
_chemical_formula_weight         7397.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.8027(14)
_cell_length_b                   62.629(6)
_cell_length_c                   76.415(7)
_cell_measurement_reflns_used    57339
_cell_measurement_temperature    120(1)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      3.04
_cell_volume                     75628(12)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'teXan (Rigaku/MSC, 2004) '
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  ' SHELXL97 (Sheldrick, 1997) and modified '
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick., 1997) '
_diffrn_ambient_temperature      120(1)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.2740
_diffrn_reflns_av_sigmaI/netI    0.1228
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       81
_diffrn_reflns_limit_k_min       -81
_diffrn_reflns_limit_l_max       99
_diffrn_reflns_limit_l_min       -99
_diffrn_reflns_number            259037
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.03
_diffrn_source_current           40
_diffrn_source_power             50
_exptl_absorpt_coefficient_mu    6.088
_exptl_absorpt_correction_T_max  0.738
_exptl_absorpt_correction_T_min  0.113
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, H. (1995), ABSCOR: Program for Absorption
Correction, Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            ' red '
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' platelet '
_exptl_crystal_F_000             28032
_exptl_crystal_preparation
'mounted on the CryoLoop with mineral oil and placed in N2 stream at 120(1) K'
_exptl_crystal_recrystallization_method
'Crystallized from a solution of THF/hexane at ambient temperature under Ar'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.918
_refine_diff_density_min         -0.598
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     678
_refine_ls_number_reflns         21678
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.2413
_refine_ls_R_factor_gt           0.0808
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1516P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2284
_refine_ls_wR_factor_ref         0.3098
_reflns_number_gt                7212
_reflns_number_total             21678
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703730a.txt
_cod_data_source_block           '[Pt4(OAc)4(DtBuPhBp)(OOCFcCOO)]4_4'
_cod_original_sg_symbol_Hall     ' -F 2uv 2vw '
_cod_original_sg_symbol_H-M      Fddd
_cod_database_code               7102042