(Nitrito-κ2 O:O′)bis[tris(4-fluorophenyl)phosphine-κP]silver(I)
Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout; IUCrData 10 (2025) x250296–; doi:10.1107/S2414314625002962

data_1574375
_publ_section_title
;
 (Nitrito-\k2 O:O&#x2032;)bis[tris(4-fluorophenyl)phosphine-\kP]silver(I)
;
_journal_coeditor_code           WM4226
_journal_issue                   4
_journal_name_full               IUCrData
_journal_page_first              x250296
_journal_paper_doi               10.1107/S2414314625002962
_journal_volume                  10
_journal_year                    2025
_chemical_formula_iupac          '[Ag (N O2) (C18 H12 F3 P)2]'
_chemical_formula_moiety         'C36 H24 Ag F6 N O2 P2'
_chemical_formula_sum            'C36 H24 Ag F6 N O2 P2'
_chemical_formula_weight         786.37
_chemical_name_systematic
(Nitrito-\k^2^<i>O</i>:<i>O</i>')bis[tris(4-fluorophenyl)phosphine-\k<i>P</i>]silver(I)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2018.12.18 svn.r3554 for Rigaku Oxford Diffraction, GUI svn.r1)
;
_cell_angle_alpha                90
_cell_angle_beta                 111.215(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3478(4)
_cell_length_b                   13.5179(3)
_cell_length_c                   17.9803(5)
_cell_measurement_reflns_used    35295
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      31.0930
_cell_measurement_theta_min      2.7290
_cell_volume                     3250.98(16)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2022)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2022)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2022)
;
_computing_molecular_graphics
;
Olex2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
ShelXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            52869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.052
_diffrn_reflns_theta_min         2.721
_diffrn_source                   'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2022)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_description       blade
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.311
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.091
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.476
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8729
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0247P)^2^+1.7214P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                7454
_reflns_number_total             8729
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4226.cif
_cod_data_source_block           I
_cod_database_code               1574375
_shelx_hkl_checksum              3484
_shelx_res_checksum              35757
_shelxl_version_number           2.013