Syntheses, crystal structures and antimicrobial activities of polymeric silver(I) complexes with three amino-acids [aspartic acid (H2asp), glycine (Hgly) and asparagine (Hasn)]
Nomiya, Kenji; Yokoyama, Hironari; Journal of the Chemical Society, Dalton Transactions  (2002) 2483–2490; doi:10.1039/b200684g

data_7011502
_publ_section_title
;
 Syntheses, crystal structures and antimicrobial activities of
 polymeric silver(I) complexes with three amino-acids [aspartic acid
 (H2asp), glycine (Hgly) and asparagine (Hasn)]
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2483
_journal_page_last               2490
_journal_paper_doi               10.1039/b200684g
_journal_year                    2002
_chemical_formula_sum            'C8 H15 Ag2 N2 O9.5'
_chemical_formula_weight         506.95
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.766(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.6255(6)
_cell_length_b                   22.469(2)
_cell_length_c                   5.6114(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.3
_cell_volume                     696.79(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.09014
_diffrn_orient_matrix_UB_12      0.02946
_diffrn_orient_matrix_UB_13      -0.08292
_diffrn_orient_matrix_UB_21      0.15542
_diffrn_orient_matrix_UB_22      -0.02070
_diffrn_orient_matrix_UB_23      0.06730
_diffrn_orient_matrix_UB_31      -0.02145
_diffrn_orient_matrix_UB_32      -0.02616
_diffrn_orient_matrix_UB_33      -0.14663
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.03180
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            4895
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.72
_diffrn_standards_decay_%        -2.15
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    28.53
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.941
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.416
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             494.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.43
_refine_ls_extinction_coef       0.0000004(2)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.217
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1193
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00037|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0370
_refine_ls_wR_factor_ref         0.0370
_reflns_number_gt                1193
_reflns_number_total             1681
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b200684g.txt
_cod_data_source_block           {[Ag2(D-Hasp)(L-Hasp)]1.5H2O}n
_cod_original_cell_volume        696.8(1)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C8 H15 Ag2 N2 O9.50 '
_cod_database_code               7011502