Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate
Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.; Acta Crystallographica Section E 72 (2016) 1786–1790; doi:10.1107/S2056989016017680

data_2241952
_publ_section_title
;
 Crystal and molecular structures of two silver(I) amidinates, including
 an unexpected co-crystal with a lithium amidinate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1786
_journal_page_last               1790
_journal_paper_doi               10.1107/S2056989016017680
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac
'[Ag2 (C18 H27 N2)2] [Li2 (C18 H27 N2)2 (C4 H8 O)2], C7 H8'
_chemical_formula_moiety         'C36 H54 Ag2 N4, C44 H70 Li2 N4 O2, C7 H8'
_chemical_formula_sum            'C87 H132 Ag2 Li2 N8 O2'
_chemical_formula_weight         1551.62
_chemical_name_systematic
;Bis(\m-<i>N</i>^1^,<i>N</i>^2^-dicyclohexyl-3-cyclopropylpropynamidinato-\k^2^<i>N</i>^1^:<i>N</i>^2^)disilver(I)
bis(\m-<i>N</i>^1^,<i>N</i>^2^-dicyclohexyl-3-cyclopropylpropynamidinato-\k^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^1^)bis(tetrahydrofuran-
\k<i>O</i>)lithium(I) toluene monosolvate
;
_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   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_cell_angle_alpha                99.871(2)
_cell_angle_beta                 102.825(2)
_cell_angle_gamma                106.538(2)
_cell_formula_units_Z            1
_cell_length_a                   10.5880(3)
_cell_length_b                   14.5620(4)
_cell_length_c                   14.9830(5)
_cell_measurement_reflns_used    27393
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.206
_cell_measurement_theta_min      2.094
_cell_volume                     2090.17(12)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_reduction
;
X-AREA and X-RED (Stoe & Cie, 2002)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2013 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22444
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.130
_exptl_absorpt_coefficient_mu    0.518
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_description       rod
_exptl_crystal_F_000             826
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.270
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.606
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         9099
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0282
_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^)+(0.0398P)^2^+0.4823P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0731
_reflns_number_gt                8214
_reflns_number_total             9099
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5332sup1.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        2090.17(11)
_cod_database_code               2241952
_cod_database_fobs_code          2241952
_shelx_estimated_absorpt_t_min   0.804
_shelx_estimated_absorpt_t_max   0.873
_shelx_hkl_checksum              96602
_shelx_res_checksum              86688