Crystal structure of bis[(acetato-κ<i>O</i>)(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] di-μ-imidazolidine-2-thione-κ^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] diacetate acetonitrile disolvate tetrahydrate
Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira; Lakmas, Sawanya; Wattanakanjana, Yupa; Acta Crystallographica Section E 72 (2016) 444–447; doi:10.1107/S205698901600308X

data_2241589
_publ_section_title
;
 Crystal structure of
 bis[(acetato-\k<i>O</i>)(imidazolidine-2-thione-\k<i>S</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I)]
 di-\m-imidazolidine-2-thione-\k^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-\k<i>S</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I)]
 diacetate acetonitrile disolvate tetrahydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              444
_journal_page_last               447
_journal_paper_doi               10.1107/S205698901600308X
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac
;
[Ag2 (C3 H6 N2 S)4 (C18 H15 P)2] (C2 H3 O2)2,
[Ag (C2 H3 O2) (C3 H6 N2 S) (C18 H15 P)2]2, 2C2 H3 N, 4H2 O
;
_chemical_formula_moiety
;
C48 H54 Ag2 N8 P2 S4 2+, 2(C2 H3 O2 -), 2(C41 H39 Ag N2 O2 P2 S), 2(C2 H3 N),
4(H2 O)
;
_chemical_formula_sum            'C138 H152 Ag4 N14 O12 P6 S6'
_chemical_formula_weight         3008.39
_chemical_name_systematic
;Bis[(acetato-\k<i>O</i>)(imidazolidine-2-thione-\k<i>S</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I)]
di-\m-imidazolidine-2-thione-\k^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-\k<i>S</i>)bis(triphenylphosphane-\k<i>P</i>)silver(I)] diacetate
acetonitrile disolvate tetrahydrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                104.179(2)
_cell_angle_beta                 94.449(2)
_cell_angle_gamma                91.992(2)
_cell_formula_units_Z            1
_cell_length_a                   9.5867(4)
_cell_length_b                   16.3018(7)
_cell_length_c                   22.8548(10)
_cell_measurement_reflns_used    9707
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.5516
_cell_measurement_theta_min      2.3993
_cell_volume                     3447.2(3)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015) and
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015) and
<i>SHELXLE</i> (H\"ubschle <i>et al.</i>,  2011)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'laterally graded multilayer (Goebel) mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            71762
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.584
_diffrn_reflns_theta_min         2.249
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_description       block
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.973
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.259
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     826
_refine_ls_number_reflns         20957
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.259
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0001P)^2^+7.6382P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                18898
_reflns_number_total             20957
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5275sup1.cif
_cod_data_source_block           I
_cod_database_code               2241589
_shelx_estimated_absorpt_t_min   0.885
_shelx_estimated_absorpt_t_max   0.905
_shelx_hkl_checksum              12611
_shelx_res_checksum              41958
_cod_database_fobs_code 2241589