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_4301590
_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            'C131 H191 Ag8 Cl2 N3 P4 S8'
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_chemical_name_systematic
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 ?
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_cell_angle_alpha                90.00
_cell_angle_beta                 93.527(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.7245(5)
_cell_length_b                   20.9427(5)
_cell_length_c                   25.0333(6)
_cell_measurement_reflns_used    55189
_cell_measurement_temperature    100(2)
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_cell_volume                     13984.2(5)
_computing_cell_refinement
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
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_computing_data_reduction
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
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_computing_molecular_graphics    'Siemens XP'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1057
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            143326
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    1.345
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95068
_exptl_absorpt_correction_type   multi-scan
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET)
(compiled Apr 21 2008,18:23:10)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.483
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_exptl_crystal_size_max          0.20
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_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.328
_refine_diff_density_min         -2.108
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.910
_refine_ls_hydrogen_treatment
'rigid methyls, others riding (disordered methyls staggered)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         17344
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0354P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0628
_reflns_number_gt                12743
_reflns_number_total             17344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802045j_si_002_3.cif
_cod_data_source_block           olbap
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4301590