<i>catena</i>-Poly[[silver(I)-μ-dipyrazin-2-ylamine] perchlorate monohydrate]
Song, Wei Feng; Wan, Chong-Qing; Liu, Jianfeng; Acta Crystallographica Section E 65 (2009) m1339–; doi:10.1107/S1600536809037532

data_2223602
_publ_section_title
;
 <i>catena</i>-Poly[[silver(I)-\m-dipyrazin-2-ylamine] perchlorate
 monohydrate]
;
_journal_coeditor_code           BG2275
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1339
_journal_paper_doi               10.1107/S1600536809037532
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C8 H7 N5)] Cl O4, H2 O'
_chemical_formula_moiety         'C8 H7 Ag N5 +, Cl O4 -, H2 O'
_chemical_formula_sum            'C8 H9 Ag Cl N5 O5'
_chemical_formula_weight         398.52
_chemical_name_systematic
;<i>catena</i>-Poly[[silver(I)-\m-dipyrazin-2-ylamine] perchlorate
 monohydrate]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.035(4)
_cell_length_b                   15.188(6)
_cell_length_c                   18.556(7)
_cell_measurement_reflns_used    834
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.13
_cell_measurement_theta_min      2.98
_cell_volume                     2546.3(18)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'area detector \w'
_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  0.0876
_diffrn_reflns_av_sigmaI/netI    0.1021
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16026
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         2.20
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  781
_diffrn_standards_number         133
_exptl_absorpt_coefficient_mu    1.821
_exptl_absorpt_correction_T_max  0.58
_exptl_absorpt_correction_T_min  0.36
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.079
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.684
_refine_diff_density_min         -1.190
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3144
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1197
_refine_ls_R_factor_gt           0.0680
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1002P)^2^+6.7959P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1675
_refine_ls_wR_factor_ref         0.2215
_reflns_number_gt                1786
_reflns_number_total             3144
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2275.cif
_cod_data_source_block           I
_cod_original_cell_volume        2546.4(17)
_cod_database_code               2223602
_cod_database_fobs_code          2223602