Diazopyridine–Ni(ii) complexes exhibiting intra-chain ferromagnetic interaction after irradiation: formation of magnetic gel
Mori, Koya; Eguchi, Rumi; Karasawa, Satoru; Koga, Noboru; Inorganic Chemistry Frontiers 2 (2015) 917–; doi:10.1039/C5QI00109A

data_4348958
_publ_section_title
;
 Diazopyridine--Ni(ii) complexes exhibiting intra-chain ferromagnetic
 interaction after irradiation: formation of magnetic gel
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              917
_journal_paper_doi               10.1039/C5QI00109A
_journal_volume                  2
_journal_year                    2015
_chemical_formula_moiety         'C52 H62 F12 N6 Ni O4 '
_chemical_formula_sum            'C52 H62 F12 N6 Ni O4'
_chemical_formula_weight         1121.78
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2015-06-14 deposited with the CCDC.
2015-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.098(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.0039(6)
_cell_length_b                   45.083(3)
_cell_length_c                   11.3568(7)
_cell_measurement_reflns_used    51914
_cell_measurement_temperature    123
_cell_measurement_theta_max      68.3
_cell_measurement_theta_min      3.9
_cell_volume                     5439.5(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.133
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            52833
_diffrn_reflns_theta_full        68.25
_diffrn_reflns_theta_max         68.25
_exptl_absorpt_coefficient_mu    1.303
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2336.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     677
_refine_ls_number_reflns         9928
_refine_ls_R_factor_gt           0.0762
_refine_ls_shift/su_max          0.0090
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0907P)^2^+4.8858P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1895
_reflns_number_gt                7100
_reflns_number_total             9928
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c5qi00109a2.cif
_cod_data_source_block           '_NiHex4NOpy'
_cod_original_cell_volume        5439.5(5)
_cod_original_formula_sum        'C52 H62 F12 N6 Ni O4 '
_cod_database_code               4348958