KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),
Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech; CrystEngComm 11 (2009) 1702–; doi:10.1039/b902161b

data_7200988
_publ_section_title
;
 KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered
 antiferromagnetic fluoroargentate(II),
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1702
_journal_paper_doi               10.1039/b902161b
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'Ag F4, 2(K)'
_chemical_formula_sum            'Ag F4 K2'
_chemical_formula_weight         262.07
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_audit_creation_date             2009-03-19T14:29:01-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.182(3)
_cell_length_b                   12.632(5)
_cell_length_c                   6.436(3)
_cell_measurement_reflns_used    534
_cell_measurement_temperature    200
_cell_measurement_theta_max      28.526
_cell_measurement_theta_min      3.2252
_cell_volume                     502.6(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corporation, 1999)'
_computing_data_collection       'CrystalClear (Rigaku Corporation, 1999)'
_computing_data_reduction        'CrystalClear (Rigaku Corporation, 1999)'
_computing_molecular_graphics    'Diamond (Pennington, 1999)'
_computing_publication_material
;
WinGX 1.70 (Farrugia, L. J., 1999), enCIFer v.1.2 (Allen et al., 2004)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
SIR92 (Altomare et al., 1993),
TeXsan (Molecular Structure Corporation, 1997--1999).
;
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device
;
Mercury CCD (2x2 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1040
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.73
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    5.624
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.837
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing R.H., 1995'
_exptl_crystal_colour            Violet
_exptl_crystal_density_diffrn    3.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.033
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.016
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.725
_refine_ls_extinction_coef       0.0033(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         325
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0381P)^2^+3.1818P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0808
_reflns_number_gt                287
_reflns_number_total             325
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b902161b.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_database_code               7200988