Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.
He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping; Physical chemistry chemical physics : PCCP 15 (2013) 10487–10493; doi:10.1039/c3cp51473k

data_7211298
_publ_section_title
;
 Alkali and alkaline-earth metal borohydride hydrazinates: synthesis,
 structures and dehydrogenation.
;
_journal_issue                   25
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              10487
_journal_page_last               10493
_journal_paper_doi               10.1039/c3cp51473k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'B2 H19.69 Mg N5.85'
_chemical_formula_weight         147.65
_space_group_IT_number           163
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_audit_creation_date             2012-05-21T14:57
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   13.8385(8)
_cell_length_b                   13.8385
_cell_length_c                   7.8284(8)
_cell_measurement_temperature    298
_cell_volume                     1298.32(15)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  Bruker_D8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_diffrn_radiation_wavelength_wt  1.00
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        79.991
_pd_meas_2theta_range_min        5.007
_pd_meas_number_of_points        5769
_pd_phase_name                   Mg(BH4)2_3N2H4
_pd_proc_2theta_range_inc        0.013
_pd_proc_2theta_range_max        80.06741
_pd_proc_2theta_range_min        5.0834
_pd_proc_info_datetime           2012-05-21T14:57:40
_pd_proc_ls_prof_R_factor        0.0220
_pd_proc_ls_prof_wR_expected     0.0173
_pd_proc_ls_prof_wR_factor       0.0285
_pd_proc_number_of_points        5769
_refine_ls_goodness_of_fit_all   1.65
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.07125
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.198
_reflns_d_resolution_low         11.985
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              32
_reflns_limit_l_min              -6
_reflns_number_total             325
_cod_data_source_file            c3cp51473k_3.cif
_cod_data_source_block           1MGB3N_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (75
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (61 time).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1298.32(17)
_cod_database_code               7211298
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000