Novel Types of Tetra-, Hexa-, Octa-, and Dodecanuclear Silver Clusters Containing (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate
José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones; Inorganic Chemistry 48 (2009) 2060–2071; doi:10.1021/ic802045j

data_4301589
_publ_section_title
;
Novel Types of Tetra-, Hexa-, Octa-, and Dodecanuclear Silver Clusters
Containing (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2060
_journal_page_last               2071
_journal_paper_doi               10.1021/ic802045j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C178 H188 Ag6 Cl3 N2 P5 S6'
_chemical_formula_weight         3456.08
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 ?
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_atom_sites_solution_secondary   difmap
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_cell_formula_units_Z            2
_cell_length_a                   16.5832(5)
_cell_length_b                   17.4121(5)
_cell_length_c                   32.9195(10)
_cell_measurement_reflns_used    73319
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.8661
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_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_molecular_graphics    'Siemens XP'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1057
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0397
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            148917
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         4.02
_exptl_absorpt_coefficient_mu    0.937
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             3548
_exptl_crystal_size_max          0.4
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_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.359
_refine_diff_density_min         -0.902
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    'rigid tolyl methyls, others riding'
_refine_ls_matrix_type           blocked
_refine_ls_number_parameters     1709
_refine_ls_number_reflns         30328
_refine_ls_number_restraints     2622
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.214
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0320P)^2^+48.3540P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1236
_refine_ls_wR_factor_ref         0.1282
_reflns_number_gt                23581
_reflns_number_total             30328
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802045j_si_002_2.cif
_cod_data_source_block           grande
_cod_original_cell_volume        8116.5(4)
_cod_database_code               4301589