Metal-Driven and Covalent Synthesis of Supramolecular Grids from Racks: A Convergent Approach to Heterometallic and Heteroleptic Nanostructures
Schmittel, Michael; Kalsani, Venkateshwarlu; Bats, Jan W.; Inorganic Chemistry 44 (2005) 4115–4117; doi:10.1021/ic050088n

data_4331489
_publ_section_title
;
 Metal-Driven and Covalent Synthesis of Supramolecular Grids from
 Racks:&#x00A0; A Convergent Approach to Heterometallic and Heteroleptic
 Nanostructures
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4115
_journal_page_last               4117
_journal_paper_doi               10.1021/ic050088n
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C100 H100 Cu2 N8 P2 Pt, 2(P F6), 2(C7 H8)'
_chemical_formula_sum            'C114 H116 Cu2 F12 N8 P4 Pt'
_chemical_formula_weight         2272.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                76.032(17)
_cell_angle_beta                 80.039(17)
_cell_angle_gamma                73.553(17)
_cell_formula_units_Z            1
_cell_length_a                   12.893(3)
_cell_length_b                   13.701(3)
_cell_length_c                   16.224(3)
_cell_measurement_reflns_used    115
_cell_measurement_temperature    156(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     2650.5(10)
_computing_cell_refinement       'SMART (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      156(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  SIEMENS_SMART_CCD
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0801
_diffrn_reflns_av_sigmaI/netI    0.1232
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29482
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         27.0
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  1200
_diffrn_standards_number         320
_exptl_absorpt_coefficient_mu    1.847
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ' SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            deep_red
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.814
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         10610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.06P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1361
_reflns_number_gt                6547
_reflns_number_total             10610
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic050088nsup1.cif
_cod_data_source_block           kalsani6
_cod_original_cell_volume        2650.4(9)
_cod_database_code               4331489