Influence of Solvent and Weak C−H···O Contacts in the Self-Assembled [Pt2M4{C⋮C(3-OMe)C6H4}8] (M = Cu, Ag) Clusters and Their Role in the Luminescence Behavior
Gil, Belén; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Inorganic Chemistry 45 (2006) 7788–7798; doi:10.1021/ic0608344

data_4332780
_publ_section_title
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 Influence of Solvent and Weak C&#x2212;H&#x00B7;&#x00B7;&#x00B7;O
 Contacts in the Self-Assembled [Pt2M4{C&#x22EE;C(3-OMe)C6H4}8] (M = Cu,
 Ag) Clusters and Their Role in the Luminescence Behavior
;
_journal_issue                   19
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7788
_journal_page_last               7798
_journal_paper_doi               10.1021/ic0608344
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C65 H41 Ag4 Cl3 Pt2'
_chemical_formula_weight         1749.99
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_audit_conform_dict_name         cif_core.dic
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_audit_creation_date             2006-04-19T13:55:08-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.544(14)
_cell_angle_beta                 108.992(14)
_cell_angle_gamma                91.305(11)
_cell_formula_units_Z            2
_cell_length_a                   11.6956(13)
_cell_length_b                   15.1811(8)
_cell_length_c                   16.858(2)
_cell_measurement_temperature    150(2)
_cell_volume                     2827.6(5)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    6.468
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.055
_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s2^(Fo2^)+(0.0177P)2^+32.5495P] where P=(Fo2^+2Fc2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                8426
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0608344sup1.cif
_cod_data_source_block           '[Pt2Ag4(CCPh)8].CHCl3'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s2^(Fo2^)+(0.0177P)2^+32.5495P] where P=(Fo2^+2Fc2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s2^(Fo2^)+(0.0177P)2^+32.5495P] where P=(Fo2^+2Fc2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332780