Silver(I)−Thiophene π Interaction in the Assembly of Coordination Networks with the Supramolecular Synthons R−C⋮C⊃Agn(R = 2- or 3-thienyl;n= 4)†
Zhao, Liang; Mak, Thomas C. W.; Organometallics 26 (2007) 4439–; doi:10.1021/om700370p

data_4073484
_publ_section_title
;
 Silver(I)&#x2212;Thiophene \p Interaction in the Assembly of Coordination
 Networks with the Supramolecular Synthons
 R&#x2212;C&#x22EE;C&#x2283;Agn(R = 2- or 3-thienyl;n= 4)&#x2020;
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4439
_journal_paper_doi               10.1021/om700370p
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C39 H20 Ag11 F24 N O22.5 S3'
_chemical_formula_weight         2601.31
_chemical_name_common
'3[(C4H3S-2)CCAg] &#x00B7; 8AgCF3CO2 &#x00B7; Me3N+CH2CO2- &#x00B7; 4.5H2O'
_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                73.065(4)
_cell_angle_beta                 79.733(4)
_cell_angle_gamma                80.770(4)
_cell_formula_units_Z            2
_cell_length_a                   11.2777(19)
_cell_length_b                   13.870(3)
_cell_length_c                   22.812(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3336.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18353
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    3.381
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.105369
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2444
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.515
_refine_diff_density_min         -2.852
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     956
_refine_ls_number_reflns         11724
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.0866
_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^)+(0.1542P)^2^+32.2586P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2383
_refine_ls_wR_factor_ref         0.2918
_reflns_number_gt                6974
_reflns_number_total             11724
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700370p.cif
_cod_data_source_block           Complex_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3336.5(10)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C39 H20 Ag11 F24 N O22.50 S3'
_cod_database_code               4073484