Versatile Behavior of [Pt2Ag4(C⋮C-t-Bu)8]: Synthesis, Structures, and Properties of [{Pt2Ag4(C⋮C-t-Bu)8}{Ag(bipy)}]4+and an Unprecedented Chain Polymeric Cocrystallization Adduct with a 2,2‘-bipy Ligand
Ara, Irene; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa; Organometallics 19 (2000) 3137–; doi:10.1021/om0001570

data_4077501
_publ_section_title
;
 Versatile Behavior of [Pt2Ag4(C&#x22EE;C-t-Bu)8]:&#x00A0; Synthesis,
 Structures, and Properties of [{Pt2Ag4(C&#x22EE;C-t-Bu)8}{Ag(bipy)}]4+and
 an Unprecedented Chain Polymeric Cocrystallization Adduct with a
 2,2&#x2018;-bipy Ligand
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3137
_journal_paper_doi               10.1021/om0001570
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C88 H104 Ag8 Cl4 N8 O16 Pt2'
_chemical_formula_weight         2924.73
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 91.720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9290(10)
_cell_length_b                   22.985(3)
_cell_length_c                   29.596(3)
_cell_measurement_temperature    200(2)
_cell_volume                     10151.1(18)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_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  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0809
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            10555
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    4.419
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_F_000             5664
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.117
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.025
_refine_ls_goodness_of_fit_obs   1.130
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7860
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_restrained_S_obs      1.130
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_obs          0.0521
_refine_ls_shift/esd_max         -0.766
_refine_ls_shift/esd_mean        0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+36.3348P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1125
_refine_ls_wR_factor_obs         0.0925
_reflns_number_observed          5438
_reflns_number_total             8896
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om0001570.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+36.3348P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+36.3348P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4077501