Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties
Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.; Journal of Solid State Chemistry 230 (2015) 374–380; doi:10.1016/j.jssc.2015.07.042

data_1561812
_publ_section_title
;
 Intercalation of organic molecules in 2D copper (II) nitroprusside:
 Intermolecular interactions and magnetic properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              374
_journal_page_last               380
_journal_paper_doi               10.1016/j.jssc.2015.07.042
_journal_volume                  230
_journal_year                    2015
_chemical_formula_sum            'C15 Cu Fe N8 O'
_chemical_formula_weight         427.63
_chemical_name_common            Cu(Py)2[Fe(CN)5NO]
_space_group_IT_number           9
_space_group_name_Hall           'I -2ya'
_space_group_name_H-M_alt        'I 1 a 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 93.836(1)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.5597(3)
_cell_length_b                   18.3476(4)
_cell_length_c                   7.5551(1)
_cell_measurement_reflns_used    422
_cell_measurement_temperature    298
_cell_volume                     1875.41(6)
_computing_cell_refinement       'FULLPROF (Carvajal, 2013)'
_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
_diffrn_reflns_number            422
_exptl_absorpt_coefficient_mu    7.786
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_description       powder
_pd_char_colour                  green
_pd_meas_2theta_range_inc        0.007870
_pd_meas_2theta_range_max        69.99760
_pd_meas_2theta_range_min        5.04720
_pd_meas_number_of_points        8255
_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        1.7454
_pd_proc_ls_prof_wR_expected     1.5733
_pd_proc_ls_prof_wR_factor       2.4504
_refine_ls_goodness_of_fit_all   1.557
_refine_ls_number_constraints    0
_refine_ls_number_parameters     104
_refine_ls_number_reflns         422
_refine_ls_number_restraints     9
_refine_ls_R_I_factor            9.7632
_reflns_number_total             804
_cod_data_source_file            JSSC-2015-230-374.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'I a'
_cod_database_code               1561812