Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation
Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.; Journal of Crystal Growth 412 (2015) 1–; doi:10.1016/j.jcrysgro.2014.11.021

data_1518682
_publ_section_title
;
 Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ
 solvation
;
_journal_name_full               'Journal of Crystal Growth'
_journal_page_first              1
_journal_paper_doi               10.1016/j.jcrysgro.2014.11.021
_journal_volume                  412
_journal_year                    2015
_chemical_compound_source        synthesised
_chemical_formula_sum            'H18 N8 Ni O6'
_chemical_formula_weight         284.9
_chemical_name_common            'Hexammine nickel nitrate'
_chemical_name_systematic        ' Hexa-ammine nickel nitrate'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8738(6)
_cell_length_b                   10.8738(6)
_cell_length_c                   10.8738(6)
_cell_measurement_temperature    293
_cell_volume                     1285.71(12)
_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)'
_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    2.44
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.4713
_exptl_crystal_F_000             600
_pd_char_colour                  blue
_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        84.975
_pd_meas_2theta_range_min        5.000
_pd_meas_number_of_points        3200
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.025
_pd_proc_2theta_range_max        84.975
_pd_proc_2theta_range_min        5
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0253
_pd_proc_ls_prof_wR_expected     0.0321
_pd_proc_ls_prof_wR_factor       0.0331
_pd_proc_wavelength              1.54056
_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         0.16
_refine_diff_density_min         -0.68
_refine_ls_goodness_of_fit_all   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    0
_refine_ls_number_parameters     37
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0181
_refine_ls_shift/su_max          0.0062
_refine_ls_shift/su_mean         0.0015
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0197
_refine_ls_wR_factor_gt          0.0150
_cod_data_source_file            ammine.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 
;
_cod_original_cell_volume        1285.72(11)
_cod_original_formula_sum        'H18 N8 Ni1 O6'
_cod_database_code               1518682