Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases
Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.; Journal of Solid State Chemistry 258 (2018) 566–572; doi:10.1016/j.jssc.2017.11.029

data_1561260
_publ_section_title
;
 Hydrothermal recrystallization of transition metal nitroprussides.
 Formation of the most stable phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              566
_journal_page_last               572
_journal_paper_doi               10.1016/j.jssc.2017.11.029
_journal_volume                  258
_journal_year                    2018
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C5 Fe2 N6 O3'
_chemical_formula_sum            'C5 Fe2 N6 O3'
_chemical_formula_weight         303.78
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.96736(12)
_cell_length_b                   7.43408(6)
_cell_length_c                   10.46303(7)
_cell_measurement_reflns_used    368
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      79.375900
_cell_measurement_theta_min      5.031500
_cell_volume                     1086.423(15)
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 CCD
_diffrn_measured_fraction_theta_full 67.7
_diffrn_measurement_device       '\Bragg Brentano configuration'
_diffrn_measurement_device_type  'Bruker D8 Advance'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a1
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_number            368
_diffrn_source                   'sealed tube'
_exptl_crystal_colour            brown
_exptl_crystal_description       powder
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.85
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         368
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.85
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0570P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.095
_cod_data_source_file            JSSC-2018-258-566.cif
_cod_data_source_block           etimcu2
_cod_original_cell_volume        1086.422(14)
_cod_struct_determination_method 'powder diffraction'
_cod_database_code               1561260