(1,10-Phenanthroline-κ^2^<i>N</i>,<i>N</i>')(triphenylphosphine-κ<i>P</i>)silver(I) perchlorate acetonitrile hemisolvate
Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran; Acta Crystallographica Section E 63 (2007) m309–m311; doi:10.1107/S1600536806055140

data_2212395
_publ_section_title
;(1,10-Phenanthroline-\k^2^<i>N</i>,<i>N</i>')(triphenylphosphine-\k<i>P</i>)silver(I)
 perchlorate acetonitrile hemisolvate
;
_journal_coeditor_code           WM2075
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m309
_journal_page_last               m311
_journal_paper_doi               10.1107/S1600536806055140
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ag (C12 H8 N2) (C18 H15 P)] Cl O4, 0.5C2 H3 N'
_chemical_formula_moiety         'C30 H23 Ag N2 P +, Cl O4 -, 0.5(C2 H3 N)'
_chemical_formula_sum            'C31 H24.5 Ag Cl N2.5 O4 P'
_chemical_formula_weight         670.32
_chemical_name_systematic
;
(1,10-Phenanthroline-\k^2^N,N')(triphenylphosphine-\kP)silver(I)
perchlorate acetonitrile hemisolvate
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.063(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.6708(12)
_cell_length_b                   22.9245(17)
_cell_length_c                   14.7068(13)
_cell_measurement_reflns_used    6230
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      32.2
_cell_measurement_theta_min      2.6
_cell_volume                     5606.4(8)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2006)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CrysAlis RED
;
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 8.2632
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
_diffrn_measurement_method       '\w and \f'
_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  0.0611
_diffrn_reflns_av_sigmaI/netI    0.1134
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            50182
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.913
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             2712
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.787
_refine_diff_density_min         -1.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.926
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         13918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0622P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1075
_refine_ls_wR_factor_ref         0.1306
_reflns_number_gt                6516
_reflns_number_total             13918
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2075.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C31 H24.50 Ag Cl N2.50 O4 P'
_cod_database_code               2212395
_cod_database_fobs_code          2212395