Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array
Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing; Chemistry of Materials 13 (2001) 1431–1433; doi:10.1021/cm000889i

data_4000035
_publ_section_title
;
 Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like
 4f--3d Array
;
_journal_coden_ASTM              CMATEX
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1431
_journal_page_last               1433
_journal_paper_doi               10.1021/cm000889i
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'C12 H22 Cr Gd N8 O6'
_chemical_formula_weight         583.63
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.2590(10)
_cell_angle_beta                 99.9890(10)
_cell_angle_gamma                100.990(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7102(2)
_cell_length_b                   9.4112(2)
_cell_length_c                   16.2819(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1135.14(5)
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.71
_diffrn_measurement_device_type  'NONIUS Kappa CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22268
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_min         3.50
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    3.415
_exptl_absorpt_correction_T_max  0.436
_exptl_absorpt_correction_T_min  0.341
_exptl_absorpt_correction_type   SORTAV
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5382
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0682P)^2^+0.8583P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                5046
_reflns_number_total             5382
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4000035