Crystal structure of <i>catena</i>-poly[silver(I)-μ-l-valinato-κ<sup>2</sup><i>N</i>:<i>O</i>].
Takagi, Yoshitaka; Okamoto, Youhei; Inoue, Chisato; Kasuga, Noriko Chikaraishi; Nomiya, Kenji; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 354–357; doi:10.1107/S2056989017001815

data_2312016
_publ_section_title
;
 Crystal structure of
 <i>catena</i>-poly[silver(I)-\m-l-valinato-\k<sup>2</sup><i>N</i>:<i>O</i>].
;
_journal_coeditor_code           IS5463
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              354
_journal_page_last               357
_journal_paper_doi               10.1107/S2056989017001815
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Ag (C5 H10 N O2)]'
_chemical_formula_moiety         'C5 H10 Ag N O2'
_chemical_formula_sum            'C5 H10 Ag N O2'
_chemical_formula_weight         224.01
_chemical_name_common            'Silver(I) L-valine'
_chemical_name_systematic
;
<i>catena</i>-Poly[silver(I)-\m-<i>L</i>-valinato-\k^2^<i>N</i>:<i>O</i>]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_audit_creation_method           'SHELXL-2016/4 '
_cell_angle_alpha                90
_cell_angle_beta                 95.446(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4475(5)
_cell_length_b                   22.545(2)
_cell_length_c                   5.5411(5)
_cell_measurement_reflns_used    4323
_cell_measurement_temperature    90
_cell_measurement_theta_max      28.264
_cell_measurement_theta_min      3.615
_cell_volume                     677.45(11)
_computing_cell_refinement
;
SAINT (Bruker, 2008)
;
_computing_data_collection
;
APEX2 (Bruker, 2008)
;
_computing_data_reduction
;
SAINT (Bruker, 2008)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>, 2008)
;
_computing_publication_material
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR2004 (Burla <i>et al.</i>,  2005)
;
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0160
_diffrn_reflns_limit_h_max       3
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            4981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.268
_diffrn_reflns_theta_min         1.807
_exptl_absorpt_coefficient_mu    2.898
_exptl_absorpt_correction_T_max  0.7804
_exptl_absorpt_correction_T_min  0.4218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_description       needle
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.125
_refine_diff_density_min         -1.105
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 1275 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>, 2013)
;
_refine_ls_abs_structure_Flack   0.048(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         3034
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0220
_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^)+(0.0258P)^2^+0.4276P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0540
_reflns_number_gt                3013
_reflns_number_total             3034
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            is5463sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        677.47(11)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2312016
_shelx_estimated_absorpt_t_min   0.422
_shelx_estimated_absorpt_t_max   0.780
_shelx_hkl_checksum              94375
_shelx_res_checksum              36043