Slow magnetic relaxation in a cyano-bridged ferromagnetic {Fe(III)Ni(II)} alternating chain.
Dong, Da-Peng; Zhang, Yan-Juan; Zheng, Hui; Zhuang, Peng-Fei; Zhao, Liang; Xu, Yang; Hu, Jixiang; Liu, Tao; Duan, Chun-Ying; Dalton transactions (Cambridge, England : 2003) 42 (2013) 7693–7698; doi:10.1039/c3dt50273b

data_7022923
_publ_section_title
;
 Slow magnetic relaxation in a cyano-bridged ferromagnetic {Fe(III)Ni(II)}
 alternating chain.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7693
_journal_page_last               7698
_journal_paper_doi               10.1039/c3dt50273b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C27 H42 B Cl Fe N15 Ni O5'
_chemical_formula_weight         817.58
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.835(3)
_cell_angle_beta                 105.371(3)
_cell_angle_gamma                101.007(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1099(5)
_cell_length_b                   13.9647(6)
_cell_length_c                   14.5968(7)
_cell_measurement_temperature    273(2)
_cell_volume                     1867.79(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0357
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13646
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    1.021
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             850
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         6324
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0531
_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^)+(0.0439P)^2^+5.0118P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1381
_reflns_number_gt                5484
_reflns_number_total             6324
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50273b.txt
_cod_data_source_block           1
_cod_original_cell_volume        1867.79(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022923