Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation
James D. Crowley; Ian M. Steele; B. Bosnich; Inorganic Chemistry 44 (2005) 2989–2991; doi:10.1021/ic0481531

data_1100753
_publ_section_title
;

Supramolecular Recognition Forces: An Examination of Weak Metal-Metal

Interactions in Host-Guest Formation

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2989
_journal_page_last               2991
_journal_paper_doi               10.1021/ic0481531
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C92 H118 Cl2 F12 N16 O9 Pt2 Sb2'
_chemical_formula_weight         2524.60
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_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                91.11(5)
_cell_angle_beta                 93.27(5)
_cell_angle_gamma                90.39(5)
_cell_formula_units_Z            2
_cell_length_a                   13.90(4)
_cell_length_b                   18.83(5)
_cell_length_c                   19.15(5)
_cell_measurement_temperature    108(2)
_cell_volume                     5003(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      108(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            47859
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    3.459
_exptl_absorpt_correction_T_max  0.354
_exptl_absorpt_correction_T_min  0.266
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

absorption corrections were made based on correspondance of

equivalent intensities usingprogram SADABS (G. Sheldrick, Bruker 

Analytical X-ray Systems, Madison, WI)

;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2508
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         7.527
_refine_diff_density_min         -2.665
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1240
_refine_ls_number_reflns         17626
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0678
_refine_ls_shift/su_max          2.489
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0917P)^2^+46.6967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1767
_refine_ls_wR_factor_ref         0.1830
_reflns_number_gt                14417
_reflns_number_total             17626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0481531si20041231_115410_1.cif
_cod_data_source_block           1-Ptreceptor
_cod_original_cell_volume        5005.0(24)
_cod_database_code               1100753