Slow Spin Dynamics between Ferromagnetic Chains in a Pure-Inorganic Framework
Rénald David; Houria Kabbour; Silviu Colis; Olivier Mentré; Inorganic Chemistry 52 (2013) 13742–13750; doi:10.1021/ic402336n

data_4336908
_publ_section_title
;
 Slow Spin Dynamics between Ferromagnetic Chains in a Pure-Inorganic
 Framework
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13742
_journal_page_last               13750
_journal_paper_doi               10.1021/ic402336n
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'As6 Ba Co2 H4 O14'
_chemical_formula_weight         932.8
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.9785(11)
_cell_length_b                   13.9388(10)
_cell_length_c                   5.9900(4)
_cell_measurement_temperature    293
_cell_volume                     1501.09(17)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.91
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0868
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            42127
_diffrn_reflns_theta_full        30.68
_diffrn_reflns_theta_max         33.01
_diffrn_reflns_theta_min         2.7
_exptl_absorpt_coefficient_mu    17.973
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    4.126
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.72
_refine_ls_extinction_coef       1200(200)
_refine_ls_extinction_method
'B-C type 1 gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    3.43
_refine_ls_goodness_of_fit_ref   3.14
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1849
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.0332
_refine_ls_shift/su_mean         0.0032
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0707
_reflns_number_gt                1511
_reflns_number_total             1849
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic402336n_si_001.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P -2xabc;-2yb;-2zac'
_cod_original_formula_sum        'As6 Ba1 Co2 H4 O14'
_cod_database_code               4336908
_cod_database_fobs_code          4336908