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_7119017
_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         'C128 H150 Ag34 F72 O74 S24'
_chemical_formula_sum            'C128 H150 Ag34 F72 O74 S24'
_chemical_formula_weight         8677.50
_chemical_name_systematic
; 
 ? 
;
_chemical_properties_physical    'Light-sensitive, Photo-sensitive'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-24 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   26.341(5)
_cell_length_b                   13.125(3)
_cell_length_c                   36.552(7)
_cell_measurement_reflns_used    37091
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      31.1995
_cell_measurement_theta_min      0.8036
_cell_volume                     12157(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  Saturn724+
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            67874
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    2.999
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4576
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             8280
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: DMSO'
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.159
_refine_diff_density_min         -1.817
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1651
_refine_ls_number_reflns         21364
_refine_ls_number_restraints     397
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.1011
_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^)+(0.0714P)^2^+166.3889P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2218
_refine_ls_wR_factor_ref         0.2327
_reflns_number_gt                18238
_reflns_number_total             21364
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc01454b2.cif
_cod_data_source_block           y2
_cod_original_cell_volume        12157(4)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7119017