Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate
Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H.; Inorganics 6 (2018) –; doi:

data_1549524
_publ_section_title
;
 Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated
 from the Thermal Decomposition of Nickel Hexammine Dinitrate
;
_journal_name_full               Inorganics
_journal_volume                  6
_journal_year                    2018
_chemical_compound_source        'synthesised as described'
_chemical_formula_moiety         'H6 N4 Ni O6'
_chemical_formula_sum            'H6 N4 Ni O6'
_chemical_formula_weight         216.8
_chemical_name_common            'Diammine nickel nitrate'
_chemical_name_systematic        ' Diammine nickel(II) nitrate'
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0628(5)
_cell_length_b                   6.0454(3)
_cell_length_c                   9.3526(4)
_cell_measurement_temperature    293
_cell_volume                     625.49(5)
_computing_cell_refinement       'Jana2006 (Petricek et al., 2006)'
_computing_data_reduction        'Jana2006 (Petricek et al., 2006)'
_computing_molecular_graphics    'Diamond 3.1 (Brandenburg, 2005)'
_computing_structure_refinement  'Jana2006 (Petricek et al., 2006)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'sealed Xe-CO2 gas detector'
_diffrn_detector_type            'VANTEC-1 PSD'
_diffrn_measurement_device_type  'Bruker d8'
_diffrn_radiation_monochromator  'Ge 111'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_diffrn_source_type              'Bruker d8'
_exptl_absorpt_coefficient_mu    4.578
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.3018
_exptl_crystal_F_000             440
_pd_char_colour                  green
_pd_char_particle_morphology     'irregular powder, visual examination'
_pd_instr_location               ' University of Glasgow'
_pd_meas_2theta_range_inc        0.025
_pd_meas_2theta_range_max        107.975
_pd_meas_2theta_range_min        5.000
_pd_meas_number_of_points        4120
_pd_prep_temperature             473
_pd_proc_2theta_range_inc        0.025
_pd_proc_2theta_range_max        107.975
_pd_proc_2theta_range_min        5
_pd_proc_ls_background_function  '16 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0438
_pd_proc_ls_prof_wR_expected     0.0240
_pd_proc_ls_prof_wR_factor       0.0603
_pd_proc_wavelength              1.54051
_pd_spec_shape                   cylinder
_pd_spec_size_axial              0.7
_pd_spec_size_equat              5
_pd_spec_size_thick              'special glass capillary'
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.37
_refine_ls_goodness_of_fit_all   2.51
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    2
_refine_ls_number_parameters     68
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.0402
_refine_ls_shift/su_mean         0.0025
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0443
_refine_ls_wR_factor_gt          0.0443
_journal_article_reference       59
_cod_data_source_file            Diamminenickelnitrate.cif
_cod_data_source_block           DiammineNickelNitrate
_cod_original_formula_sum        'H6 N4 Ni1 O6'
_cod_database_code               1549524