Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure
Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz; Inorganic Chemistry 52 (2013) 7087–7093; doi:10.1021/ic400632c

data_4335212
_publ_contact_author_address
;
Departamento de Qu\'imica Inorg\'anica
Facultad de Ciencias Qu\'imicas
Universidad Complutense de Madrid
Ciudad Universitaria
28040 Madrid (Spain)
;
_publ_contact_author_email       sherrero@quim.ucm.es
_publ_contact_author_name        'Herrero, Santiago'
_publ_section_title
;
 Modulation of the Magnetic Properties of Two-Dimensional Compounds
 [NiX2(N-N)] by Tailoring Their Crystal Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7087
_journal_page_last               7093
_journal_paper_doi               10.1021/ic400632c
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C12 H12 Cl2 N2 Ni'
_chemical_formula_weight         313.84
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 97.629(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   11.71243(17)
_cell_length_b                   13.58998(15)
_cell_length_c                   3.67828(9)
_cell_measurement_temperature    298(3)
_cell_volume                     580.296(19)
_computing_structure_refinement  'FULLPROF (Rodr\'iguez-Carvajal, 1993)'
_computing_structure_solution    'FOX (Favre-Nicolin & Cerny, 2002)'
_diffrn_ambient_temperature      298(3)
_diffrn_detector_type            'Panalytical B.V. X\'Celerator'
_diffrn_measurement_device_type  'Panalytical B.V. X\'Pert PRO'
_diffrn_radiation_monochromator  'Ge 111'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5406
_diffrn_source                   'sealed x-ray tube'
_diffrn_source_target            Cu
_pd_char_colour                  light_green
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        99.99400
_pd_meas_2theta_range_min        5.01500
_pd_meas_number_of_points        5588
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        99.9609
_pd_proc_2theta_range_min        4.9819
_pd_proc_ls_prof_R_factor        9.2915
_pd_proc_ls_prof_wR_expected     6.4140
_pd_proc_ls_prof_wR_factor       12.9175
_pd_proc_wavelength              1.540600
_pd_spec_mounting
; 
pressed powder
;
_pd_spec_mount_mode              reflection
_refine_ls_number_parameters     29
_refine_ls_number_reflns         885
_refine_ls_number_restraints     22
_refine_ls_R_I_factor            5.8864
_cod_data_source_file            ic400632c_5.cif
_cod_data_source_block           MC362
_cod_original_cell_volume        580.296(17)
_cod_database_code               4335212
_pd_proc_ls_prof_cr_factor       14.6676
_pd_proc_ls_prof_cwr_factor      18.3203
_pd_proc_ls_prof_cwr_expected    9.0967
_pd_proc_ls_prof_chi2            4.0560
_pd_proc_ls_prof_echi2           4.0560