Tetraphosphinitoresorcinarene Complexes: Dynamic Clusters with Silver(I) and Copper(I) Halides
Dana J. Eisler; Christopher W. Kirby; Richard J. Puddephatt; Inorganic Chemistry 42 (2003) 7626–7634; doi:10.1021/ic034717+

data_4327479
_publ_section_title
;
 Tetraphosphinitoresorcinarene Complexes: Dynamic Clusters with Silver(I)
 and Copper(I) Halides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7626
_journal_page_last               7634
_journal_paper_doi               10.1021/ic034717+
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C143 H118 Ag5 Cl9 I5 O13.5 P4'
_chemical_formula_weight         3669.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.3150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.3247(2)
_cell_length_b                   22.8616(4)
_cell_length_c                   19.7339(3)
_cell_measurement_temperature    200(2)
_cell_volume                     7746.2(2)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi\omega scans'
_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  0.072
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            69462
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    1.868
_exptl_absorpt_correction_T_max  0.7419
_exptl_absorpt_correction_T_min  0.6524
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            shoebox
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       colourless
_exptl_crystal_F_000             3594
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.957
_refine_diff_density_min         -3.182
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         17298
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0880
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1800P)^2^+36.2950P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2720
_refine_ls_wR_factor_ref         0.3103
_reflns_number_gt                10845
_reflns_number_total             17298
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0347172Bsi20030623_114635_2.cif
_cod_data_source_block           8
_cod_original_formula_sum        'C143 H118 Ag5 Cl9 I5 O13.50 P4'
_cod_database_code               4327479