μ-Biphenyl-4,4'-dicarboxylato-bis{[2-(piperidin-1-yl)ethanamine]silver(I)} dihydrate
Yuan, Chun-Lan; Acta Crystallographica Section E 63 (2007) m3147–m3147; doi:10.1107/S160053680706103X

data_2216523
_publ_section_title
;
 \m-Biphenyl-4,4'-dicarboxylato-bis{[2-(piperidin-1-yl)ethanamine]silver(I)}
 dihydrate
;
_journal_coeditor_code           HG2330
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3147
_journal_page_last               m3147
_journal_paper_doi               10.1107/S160053680706103X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 (C14 H8 O4) (C7 H16 N2)2], 2H2 O'
_chemical_formula_sum            'C28 H44 Ag2 N4 O6'
_chemical_formula_weight         748.41
_chemical_name_systematic
;
\m-Biphenyl-4,4'-dicarboxylato-bis{[2-(piperidin-1-yl)ethanamine]silver(I)}
dihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.95(3)
_cell_angle_beta                 76.61(3)
_cell_angle_gamma                77.34(3)
_cell_formula_units_Z            1
_cell_length_a                   7.2410(14)
_cell_length_b                   8.3920(17)
_cell_length_c                   13.154(3)
_cell_measurement_reflns_used    2907
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.4
_cell_volume                     756.5(3)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6271
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.341
_exptl_absorpt_correction_T_max  0.6736
_exptl_absorpt_correction_T_min  0.6161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             382
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.387
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3279
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0338P)^2^+0.0748P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                2614
_reflns_number_total             3279
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2330.cif
_cod_data_source_block           I
_cod_database_code               2216523
_cod_database_fobs_code          2216523