Diaqua{μ~2~-<i>N</i>,<i>N</i>'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I) dinitrate
Nimthong, Ruthairat; Thepsena, Nattakunya; Puetpaiboon, Walailak; Wattanakanjana, Yupa; Acta Crystallographica Section E 70 (2014) m30–m31; doi:10.1107/S1600536813034454

data_2238992
_publ_section_title
;
 Diaqua{\m~2~-<i>N</i>,<i>N</i>'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I)
 dinitrate
;
_journal_coeditor_code           LH5679
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m30
_journal_page_last               m31
_journal_paper_doi               10.1107/S1600536813034454
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Ag2 (C14 H22 N4 O2) (C18 H15 P)2 (H2 O)2] (N O3)2'
_chemical_formula_moiety         'C50 H56 Ag2 N4 O4 P2 2+ 2(N O3 -)'
_chemical_formula_sum            'C50 H56 Ag2 N6 O10 P2'
_chemical_formula_weight         1178.68
_chemical_name_systematic
;Diaqua{\m~2~-<i>N</i>,<i>N</i>'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I)
dinitrate
;
_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-2012
_cell_angle_alpha                74.6170(10)
_cell_angle_beta                 83.6760(10)
_cell_angle_gamma                77.0910(10)
_cell_formula_units_Z            1
_cell_length_a                   9.0903(8)
_cell_length_b                   9.5730(8)
_cell_length_c                   15.2638(13)
_cell_measurement_reflns_used    6878
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.2707
_cell_measurement_theta_min      2.2533
_cell_volume                     1246.49(18)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2012 (Sheldrick, 2008),
<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 1.000
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29613
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.584
_diffrn_reflns_theta_min         2.253
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2012)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_description       plate
_exptl_crystal_F_000             602
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.497
_refine_diff_density_min         -0.536
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         7621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0282
_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^)+(0.0427P)^2^+0.4440P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                7076
_reflns_number_total             7621
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5679sup1.cf
_cod_data_source_block           I
_cod_database_code               2238992
_cod_database_fobs_code          2238992
_shelx_hkl_checksum              82154
_shelx_res_checksum              93779
_shelxl_version_number           .000002012