Ligand- and Anion-Controlled Formation of Silver Alkynyl Oligomers from Soluble Precursors
Mei-Li Chen; Xue-Fei Xu; Ze-Xing Cao; Quan-Ming Wang; Inorganic Chemistry 47 (2008) 1877–1879; doi:10.1021/ic702023e

data_4304523
_publ_section_title
;
Ligand- and Anion-Controlled Formation of Silver Alkynyl Oligomers from
Soluble Precursors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1877
_journal_page_last               1879
_journal_paper_doi               10.1021/ic702023e
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C88 H86 Ag12 F18 N8 O12'
_chemical_formula_weight         3084.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_alpha                61.852(4)
_cell_angle_beta                 63.854(4)
_cell_angle_gamma                80.682(3)
_cell_formula_units_Z            1
_cell_length_a                   13.9275(5)
_cell_length_b                   15.0064(6)
_cell_length_c                   15.1885(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2508.3(2)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0274
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_diffrn_reflns_number            18909
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_diffrn_reflns_theta_max         62.24
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_exptl_absorpt_coefficient_mu    19.151
_exptl_absorpt_correction_T_max  0.4477
_exptl_absorpt_correction_T_min  0.0912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
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_refine_ls_number_reflns         7781
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_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                5798
_reflns_number_total             7781
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702023e-file003_5.cif
_cod_data_source_block           5
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2508.34(17)
_cod_database_code               4304523