Bis(dicyclohexylphenylphosphine)silver(I) nitrate
Burgoyne, Andrew R.; Meijboom, Reinout; Muller, Alfred; Omondi, Bernard; Acta Crystallographica Section E 66 (2010) m503–m504; doi:10.1107/S1600536810011724

data_2225755
_publ_section_title
;
 Bis(dicyclohexylphenylphosphine)silver(I) nitrate
;
_journal_coeditor_code           BG2336
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m503
_journal_page_last               m504
_journal_paper_doi               10.1107/S1600536810011724
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag (C18 H27 P1)2] N O3'
_chemical_formula_moiety         'C36 H54 Ag P2 +, N O3 -'
_chemical_formula_sum            'C36 H54 Ag N O3 P2'
_chemical_formula_weight         718.61
_chemical_name_systematic
;
Bis(dicyclohexylphenylphosphine)silver(I) nitrate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 106.8960(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.9207(4)
_cell_length_b                   13.6312(5)
_cell_length_c                   12.2121(5)
_cell_measurement_reflns_used    19966
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      1.74
_cell_volume                     1739.45(12)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
;
ORTEP-3 for Windows  (Farrugia, 1997), PLATON (Spek, 2009) and
DIAMOND
(Brandenburg & Putz, 2005)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19954
_diffrn_reflns_theta_full        27.81
_diffrn_reflns_theta_max         27.81
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_T_max  0.9076
_exptl_absorpt_correction_T_min  0.7557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.754
_refine_diff_density_min         -0.277
_refine_ls_abs_structure_details 'Flack (1983), 2322  Friedel pairs'
_refine_ls_abs_structure_Flack   0.041(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6614
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0323P)^2^+0.3975P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.055
_reflns_number_gt                6503
_reflns_number_total             6614
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2336.cif
_cod_data_source_block           I
_cod_original_cell_volume        1739.45(11)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2225755
_cod_database_fobs_code          2225755