A new supramolecular assembly obtained from the combination of silver(i) cations with a thiophosphorylated cavitand
Bibal, Brigitte; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre; Chemical Communications  (2002) 432–; doi:10.1039/b110698h

data_7114338
_publ_section_title
;
 A new supramolecular assembly obtained from the combination of silver(i)
 cations with a thiophosphorylated cavitand
;
_journal_issue                   5
_journal_name_full               'Chemical Communications'
_journal_page_first              432
_journal_paper_doi               10.1039/b110698h
_journal_year                    2002
_chemical_formula_moiety         '2Lig. 4Ag. 4pic. 4 aceton'
_chemical_formula_sum            'C228 H280 Ag4 N12 O48 P8 S8'
_chemical_formula_weight         4892.35
_chemical_name_systematic
; 
? 
;
_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
_cell_angle_alpha                67.75(2)
_cell_angle_beta                 74.05(2)
_cell_angle_gamma                83.99(2)
_cell_formula_units_Z            2
_cell_length_a                   23.095(9)
_cell_length_b                   23.507(9)
_cell_length_c                   24.193(9)
_cell_measurement_temperature    100(2)
_cell_volume                     11688(8)
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.66
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'MAR345 image plate'
_diffrn_measurement_method       '233 images, phi scans of 1.5 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'RU200 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            295890
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    0.533
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelipiped
_exptl_crystal_F_000             5096
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.289
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       0.00344(11)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2978
_refine_ls_number_reflns         44486
_refine_ls_number_restraints     360
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.421
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0874P)^2^+19.7822P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1586
_reflns_number_gt                40606
_reflns_number_total             44486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b110698h.txt
_cod_data_source_block           bb240ag
_cod_original_sg_symbol_H-M      ' P -1 '
_cod_database_code               7114338