Unusual composition dependence of magnetic relaxation for CoII1-xNiIIx chain-based metal-organic frameworks
Yan-Qin Wang; Ai-Ling Cheng; Pei-Pei Liu; En-Qing Gao; Chem.Commun. 49 (2013) 6995–; doi:10.1039/c3cc43212b

data_7109553
_publ_section_title
;
 Unusual composition dependence of magnetic relaxation for CoII1-xNiIIx
 chain-based metal-organic frameworks
;
_journal_name_full               Chem.Commun.
_journal_page_first              6995
_journal_paper_doi               10.1039/c3cc43212b
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C8 H6 N4 Ni O4, H2 O'
_chemical_formula_sum            'C8 H8 N4 Ni O5'
_chemical_formula_weight         298.89
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_site_U_iso_or_equiv        0.00268
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6031(6)
_cell_length_b                   7.2312(6)
_cell_length_c                   18.195(2)
_cell_measurement_temperature    295
_cell_volume                     1000.35(16)
_computing_cell_refinement       'Reflex module (Materials Studiao)'
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_structure_refinement  'Reflex module (Materials Studiao)'
_computing_structure_solution    'DMOL (Materials Studiao)'
_diffrn_ambient_temperature      295
_diffrn_detector                 'Scintillation counter (NaI)'
_diffrn_measurement_device_type  'Rigaku Ultima IV'
_diffrn_radiation_monochromator  None
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    1.9843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             608
_pd_char_colour                  green
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        60
_pd_meas_2theta_range_min        5
_pd_meas_number_of_points        2751
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        60
_pd_proc_2theta_range_min        5
_pd_proc_ls_background_function
;
20-term polynomial background parameters
;
_pd_proc_ls_pref_orient_corr     'March-Dollase (Dollase, 1986)'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0510
_pd_proc_ls_prof_wR_factor       0.0667
_pd_spec_mounting                ' packed powder pellet'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     21
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     'w~i~ = 1/ I~exp~(2\q~i~) ''
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c3cc43212b.txt
_cod_data_source_block           2powder
_cod_database_code               7109553