Crystal structure of bis[tetrakis(triphenylphosphane-κ<i>P</i>)silver(I)] (nitrilotriacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-κ<i>P</i>)argentate(I) with an unknown amount of methanol as solvate
Noll, Julian; Korb, Marcus; Lang, Heinrich; Acta Crystallographica Section E 72 (2016) 318–321; doi:10.1107/S2056989016001262

data_2241548
_publ_section_title
;
 Crystal structure of
 bis[tetrakis(triphenylphosphane-\k<i>P</i>)silver(I)]
 (nitrilotriacetato-\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-\k<i>P</i>)argentate(I)
 with an unknown amount of methanol as solvate
;
_journal_coeditor_code           PK2571
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              318
_journal_page_last               321
_journal_paper_doi               10.1107/S2056989016001262
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac
'[Ag (C18 H15 P)4]2 [Ag (C6 H6 N O6) (C18 H15 P)]'
_chemical_formula_moiety         '2(C72 H60 Ag P4 +), C24 H21 Ag N O6 P 2-'
_chemical_formula_sum            'C168 H141 Ag3 N O6 P9'
_chemical_formula_weight         2872.15
_chemical_name_systematic
;Bis[tetrakis(triphenylphosphane-\k<i>P</i>)silver(I)]
(nitrilotriacetato-\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')(triphenylphosphane-\k<i>P</i>)argentate(I) methanol
monosolvate
;
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   19.0095(5)
_cell_length_b                   19.0095(5)
_cell_length_c                   31.9862(10)
_cell_measurement_reflns_used    6868
_cell_measurement_temperature    110
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      3.33
_cell_volume                     10010.0(5)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2006)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2006)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and SHELXTL (Sheldrick,
2008)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Gemini S'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            32447
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         25.492
_diffrn_reflns_theta_min         3.184
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  10
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.404
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>CrysAlis RED</i>; Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.953
_exptl_crystal_description       block
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.335
_refine_diff_density_min         -0.644
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         12365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0664
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1010P)^2^+10.4365P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1849
_refine_ls_wR_factor_ref         0.1972
_reflns_number_gt                8561
_reflns_number_total             12365
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2571sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        10010.0(6)
_cod_database_code               2241548
_cod_database_fobs_code          2241548
_shelx_hkl_checksum              48197
_shelx_res_checksum              44564
_shelx_fab_checksum              53745
_shelxl_version_number           .2013