An Ising iron(ii) chain exhibits a large finite-size energy barrier and "hard" magnetic behaviour.
Deng, Yi-Fei; Han, Tian; Xue, Wei; Hayashi, Naoaki; Kageyama, Hiroshi; Zheng, Yan-Zhen; Dalton transactions (Cambridge, England : 2003) 46 (2017) 1449–1454; doi:10.1039/c6dt03943j

data_7041507
_publ_section_title
;
 An Ising iron(ii) chain exhibits a large finite-size energy barrier and
 &quot;hard&quot; magnetic behaviour.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1449
_journal_page_last               1454
_journal_paper_doi               10.1039/c6dt03943j
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C7 H7 Fe N7 O2'
_chemical_formula_weight         277.05
_chemical_name_systematic        '[Fe(N3)2(4-mpc)]n'
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-11-17 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                106.749(5)
_cell_angle_beta                 104.441(4)
_cell_angle_gamma                96.194(5)
_cell_formula_units_Z            2
_cell_length_a                   6.400(2)
_cell_length_b                   8.580(3)
_cell_length_c                   10.802(4)
_cell_measurement_reflns_used    3206
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.27
_cell_measurement_theta_min      2.53
_cell_volume                     539.6(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7405
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.396
_diffrn_reflns_theta_min         2.060
_exptl_absorpt_coefficient_mu    1.400
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_description       plate
_exptl_crystal_F_000             280
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.833
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2419
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0905P)^2^+1.1828P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1550
_refine_ls_wR_factor_ref         0.1629
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1932
_reflns_number_total             2419
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03943j2.cif
_cod_data_source_block           b
_cod_depositor_comments          'Adding full bibliography for 7041507.cif.'
_cod_original_cell_volume        539.6(4)
_cod_database_code               7041507
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              18580