New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties
Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.; New Journal of Chemistry 42 (2018) 1347–; doi:10.1039/C7NJ03585C

data_7056817
_publ_section_title
;
 New coordination polymers based on 2-methylimidazole and transition metal
 nitroprusside containing building blocks: synthesis, structure and
 magnetic properties
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1347
_journal_paper_doi               10.1039/C7NJ03585C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         Ni(2-MIm)2[Fe(CN)5NO]2H2O
_chemical_formula_sum            'C26 Fe2 N20 Ni2 O6'
_chemical_formula_weight         917.54
_chemical_name_common            Ni(2-MIm)2[Fe(CN)5NO]2H2O
_chemical_name_systematic
'Nikel bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate'
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_update_record
;
2017-09-01 deposited with the CCDC.
2017-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   19.0005(2)
_cell_length_b                   14.7563(1)
_cell_length_c                   7.1233(5)
_cell_measurement_reflns_used    438
_cell_measurement_temperature    298
_cell_volume                     1997.21(14)
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_computing_data_collection       'D8 ADVANCE BRUKER'
_computing_data_reduction        'FULLPROF (Carvajal, 2013)'
_computing_molecular_graphics    'DIAMOND (Branderbug, 2006)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'FULLPROF (Carvajal, 2013)'
_computing_structure_solution
;
SHELXS-97 (Sheldrick, 2008) and EXPO2013 (Altomare et al., 2013)
;
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'D8 Advanced'
_diffrn_measurement_method       'Bragg Brentano'
_diffrn_radiation_monochromator  Germanium
_diffrn_radiation_source         Cooper
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    7.162
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       powder
_exptl_crystal_F_000             904.0
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method 'Precipitation method'
_pd_char_colour                  brown
_pd_meas_2theta_range_inc        0.010488
_pd_meas_2theta_range_max        65.00830
_pd_meas_2theta_range_min        5.06290
_pd_meas_number_of_points        5717
_pd_proc_info_excluded_regions   0
_pd_proc_ls_background_function
;
Linear interpolation between a set background points with refinable heights
;
_pd_proc_ls_pref_orient_corr     'March-Dollase Multiaxial function'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        1.614
_pd_proc_ls_prof_wR_expected     1.228
_pd_proc_ls_prof_wR_factor       2.172
_refine_ls_goodness_of_fit_all   1.769
_refine_ls_number_constraints    3
_refine_ls_number_parameters     36
_refine_ls_number_reflns         319
_refine_ls_number_restraints     8
_refine_ls_R_factor_gt           0.0922
_refine_ls_R_I_factor            7.253
_refine_ls_wR_factor_ref         0.127
_reflns_number_total             704
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_cod_data_source_block           new_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7056816--7056819.cif.'
_cod_original_cell_volume        1997.23(14)
_cod_database_code               7056817
_publcif_datablock.id            {a8f3c58c-fddd-4ead-8fcf-ff18d9cf6bd7}