Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides.
Wegner, W.; Jaroń, T; Dobrowolski, M. A.; Dobrzycki, Ł; Cyrański, M K; Grochala, W.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 14370–14377; doi:10.1039/c6dt02239a

data_7040395
_publ_section_title
;
 Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel
 inorganic mixed-cation borohydrides.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14370
_journal_page_last               14377
_journal_paper_doi               10.1039/c6dt02239a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'B5 Cs3 H20 Mg'
_chemical_formula_weight         497.25
_chemical_name_systematic        ' ?'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7115(4)
_cell_length_b                   9.7115(4)
_cell_length_c                   16.2540(8)
_cell_measurement_reflns_used    'Not given for powder diffraction'
_cell_measurement_temperature    298
_cell_measurement_theta_max      120.003
_cell_measurement_theta_min      8.008
_cell_volume                     1532.97(12)
_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    55.273
_exptl_crystal_density_diffrn    2.155
_exptl_crystal_description       powder
_exptl_crystal_F_000             888
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.012
_pd_meas_2theta_range_max        120.003
_pd_meas_2theta_range_min        8.008
_pd_meas_number_of_points        9124
_pd_meas_scan_method             cont
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.012
_pd_proc_2theta_range_max        120.003
_pd_proc_2theta_range_min        8.008
_pd_proc_ls_background_function  '30 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0075
_pd_proc_ls_prof_wR_expected     0.0099
_pd_proc_ls_prof_wR_factor       0.0111
_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   1.13
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_constraints    0
_refine_ls_number_parameters     50
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.0494
_refine_ls_shift/su_mean         0.0038
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0501
_refine_ls_wR_factor_gt          0.0495
_cod_data_source_file            c6dt02239a1.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 7040395--7040397.cif.'
_cod_original_cell_volume        1532.97(15)
_cod_original_formula_sum        'B5 Cs3 H20 Mg1'
_cod_database_code               7040395