Linear Heterotrinuclear Complexes Derived from an Alkyl Platinum(II) Twelve-Membered Macrocycle
Hai-Bin Song; Zheng-Zhi Zhang; Zheng Hui; Chi-Ming Che; Thomas C. W. Mak; Inorganic Chemistry 41 (2002) 3146–3154; doi:10.1021/ic011293f

data_4318086
_publ_section_title
;
 Linear Heterotrinuclear Complexes Derived from an Alkyl Platinum(II)
 Twelve-Membered Macrocycle
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3146
_journal_page_last               3154
_journal_paper_doi               10.1021/ic011293f
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C66 H61 Ag2 B2 F8 N5 P4 Pt'
_chemical_formula_weight         1632.53
_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                88.4020(10)
_cell_angle_beta                 86.6010(10)
_cell_angle_gamma                72.4700(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0418(8)
_cell_length_b                   16.6166(10)
_cell_length_c                   17.0327(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3513.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.1168
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23977
_diffrn_reflns_theta_full        28.04
_diffrn_reflns_theta_max         28.04
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.691
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.855127
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1612
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.575
_refine_diff_density_min         -0.807
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       0.00022(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         16662
_refine_ls_number_restraints     103
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0504
_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^)+(0.0600P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1400
_reflns_number_gt                9380
_reflns_number_total             16662
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011293f_4.cif
_cod_data_source_block           compd5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318086