Integration of acetylenic carbon clusters and silver clusters: template synthesis and stability enhancement
Xin He; Hai-Xia Liu; Liang Zhao; Chem.Commun. 52 (2016) 5682–; doi:

data_7119015
_publ_section_title
;
 Integration of acetylenic carbon clusters and silver clusters: template
 synthesis and stability enhancement
;
_journal_name_full               Chem.Commun.
_journal_page_first              5682
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety
'[Ag12{(C?C)2C=C(C?C)2}(CO2CF3)10(CH3CN)4][Ag(CH3CN)4]2'
_chemical_formula_sum            'C27 H18 Ag7 F15 N6 O10'
_chemical_formula_weight         1626.56
_chemical_name_systematic
; 
 ? 
;
_chemical_properties_physical    Light-sensitive
_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
_audit_update_record
;
2015-01-24 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                72.77(3)
_cell_angle_beta                 82.43(3)
_cell_angle_gamma                86.08(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7316(17)
_cell_length_b                   15.311(3)
_cell_length_c                   16.873(3)
_cell_measurement_reflns_used    9186
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      33.0326
_cell_measurement_theta_min      2.1424
_cell_volume                     2134.7(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0676
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15420
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    3.266
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7623
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1532
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Acetonitrile Ether'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.640
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     670
_refine_ls_number_reflns         7453
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0196P)^2^+24.3914P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1191
_reflns_number_gt                6285
_reflns_number_total             7453
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc01454b2.cif
_cod_data_source_block           y
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'Constr' changed to 'constr'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 4609 2016-04-01 06:22:49Z antanas 
;
_cod_original_cell_volume        2134.8(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7119015