Synthesis and structural characterization of a silver complex of a mixed-donor N-heterocyclic carbene linked cyclophane
Garrison, Jered C.; Simons, Richard S.; Kofron, William G.; Tessier, Claire A.; Youngs, Wiley J.; Chemical Communications  (2001) 1780–; doi:10.1039/b105751k

data_7114700
_publ_section_title
;
 Synthesis and structural characterization of a silver complex of a
 mixed-donor N-heterocyclic carbene linked cyclophane
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              1780
_journal_paper_doi               10.1039/b105751k
_journal_year                    2001
_chemical_formula_sum            'C22 H26 Ag2 F16 N6 O P2 S'
_chemical_formula_weight         502.11
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_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                110.21(3)
_cell_angle_beta                 96.34(3)
_cell_angle_gamma                102.46(3)
_cell_formula_units_Z            2
_cell_length_a                   10.389(2)
_cell_length_b                   11.272(2)
_cell_length_c                   14.104(3)
_cell_measurement_temperature    200(2)
_cell_volume                     1482.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10137
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.817
_exptl_absorpt_correction_T_max  0.9680
_exptl_absorpt_correction_T_min  0.8602
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.082
_refine_diff_density_min         -1.451
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         5212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0845P)^2^+3.8803P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1343
_reflns_number_gt                4085
_reflns_number_total             5212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b105751k.txt
_cod_data_source_block           s
_cod_original_cell_volume        1482.3(5)
_cod_database_code               7114700