Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.
Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech; Inorganic chemistry 55 (2015) 37–; doi:10.1021/acs.inorgchem.5b01688

data_4344835
_publ_section_title
;
 Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts
 Accessed via Metathesis in Organic Solvents.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              37
_journal_paper_doi               10.1021/acs.inorgchem.5b01688
_journal_volume                  55
_journal_year                    2015
_chemical_formula_moiety         'B3 H12 N2, Cs'
_chemical_formula_sum            'B3 Cs H12 N2'
_chemical_formula_weight         205.46
_chemical_name_systematic        ' ?'
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.890(4)
_cell_length_b                   9.6485(18)
_cell_length_c                   8.1285(16)
_cell_measurement_temperature    298
_cell_volume                     1481.5(5)
_diffrn_ambient_temperature      298
_diffrn_detector                 one-dimensional
_diffrn_detector_type            LYNXEYE
_diffrn_measurement_device_type  'Bruker D8 Discover'
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    38.059
_exptl_crystal_density_diffrn    1.8422
_exptl_crystal_F_000             768
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        119.999
_pd_meas_2theta_range_min        8.000
_pd_meas_number_of_points        10949
_pd_meas_scan_method             cont
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        119.999
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  '36 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0118
_pd_proc_ls_prof_wR_expected     0.0086
_pd_proc_ls_prof_wR_factor       0.0172
_pd_spec_mounting                'quartz capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              18
_pd_spec_size_equat              0.3
_refine_ls_goodness_of_fit_all   1.99
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    0
_refine_ls_number_parameters     76
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.0428
_refine_ls_shift/su_mean         0.0036
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0610
_refine_ls_wR_factor_gt          0.0603
_cod_data_source_file            ic5b01688_si_004.cif
_cod_data_source_block           I
_cod_original_formula_sum        'B3 Cs1 H12 N2'
_cod_database_code               4344835