Ag(nic)2 (nic = Nicotinate): A Spin-Canted Quasi-2D Antiferromagnet Composed of Square-Planar S=1/2 AgII Ions
Jamie L. Manson; Toby J. Woods; Saul H. Lapidus; Peter W. Stephens; Heather I. Southerland; Vivien S. Zapf; John Singleton; Paul A. Goddard; Tom Lancaster; Andrew J. Steele; Stephen J. Blundell; Inorganic Chemistry 51 (2012) 1989–1991; doi:10.1021/ic202600n

data_4328446
_publ_contact_author_address
; 
Department of Chemistry and Biochemistry, 
Eastern Washington University,
 Cheney, Washington 99004, United States'
;
_publ_contact_author_email       jmanson@ewu.edu
_publ_contact_author_name        'Jamie Manson'
_publ_section_title
;
 Ag(nic)2 (nic = Nicotinate): A Spin-Canted Quasi-2D Antiferromagnet
 Composed of Square-Planar S=1/2 AgII Ions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1989
_journal_page_last               1991
_journal_paper_doi               10.1021/ic202600n
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C12 H8 Ag N2 O4'
_chemical_formula_sum            'C12 H8 Ag N2 O4'
_chemical_formula_weight         352.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.373(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0157(1)
_cell_length_b                   8.0371(2)
_cell_length_c                   14.1498(4)
_cell_measurement_temperature    295
_cell_volume                     564.32(2)
_computing_cell_refinement       TOPAS-Academic
_computing_data_collection       SPEC
_computing_data_reduction        TOPAS-Academic
_computing_structure_refinement  TOPAS-Academic
_computing_structure_solution    TOPAS-Academic
_diffrn_ambient_temperature      295
_diffrn_detector                 'NaI scintillation counter'
_diffrn_measurement_device_type  'Huber diffractometer'
_diffrn_radiation_monochromator  'Si(111) channel cut'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.699301
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    1.697
_exptl_crystal_density_diffrn    2.072
_pd_block_diffractogram_id       TJW-01-09
_pd_char_colour                  red
_pd_instr_location
;
X16C, National Synchrotron Light Source, Brookhaven National Laboratory
;
_pd_meas_2theta_range_inc        0.005
_pd_meas_2theta_range_max        35.0
_pd_meas_2theta_range_min        5.0
_pd_meas_number_of_points        6001
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        35.0
_pd_proc_2theta_range_min        5.0
_pd_proc_ls_background_function
;
1 Pearson-Voight peaks and Chebyshev polynomial with 12 coefficients
;
_pd_proc_ls_pref_orient_corr
;
none
;
_pd_proc_ls_profile_function
;
Simple_Axial_model function with Rp=9999,Rs=330 in TOPAS-Academic
;
_pd_proc_ls_prof_R_factor        0.04615
_pd_proc_ls_prof_wR_expected     0.02838
_pd_proc_ls_prof_wR_factor       0.05568
_pd_proc_wavelength              0.699301
_pd_spec_mounting
;
capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     47
_refine_ls_weighting_details     1/(sigma*sigma)
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic202600n_si_002.cif
_cod_data_source_block           TJW-01-09
_cod_original_cell_volume        564.33(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4328446
_cod_database_fobs_code          4328446