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_7211300
_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            'B3 H16 Li3 N2'
_chemical_formula_weight         97.39
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2011-07-07T14:14
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 93.339(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.8984(7)
_cell_length_b                   7.0663(6)
_cell_length_c                   7.4985(6)
_cell_measurement_temperature    298
_cell_volume                     417.80(6)
_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        0.026
_pd_meas_2theta_range_max        79.932
_pd_meas_2theta_range_min        10.018
_pd_meas_number_of_points        2690
_pd_phase_name                   3LiB1N
_pd_proc_2theta_range_inc        0.026
_pd_proc_2theta_range_max        80.13389
_pd_proc_2theta_range_min        10.21989
_pd_proc_info_datetime           2011-07-07T14:14:26
_pd_proc_ls_peak_cutoff          0.01000
_pd_proc_ls_prof_R_factor        0.0264
_pd_proc_ls_prof_wR_expected     0.0304
_pd_proc_ls_prof_wR_factor       0.0347
_pd_proc_number_of_points        2690
_refine_ls_goodness_of_fit_all   1.15
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.11371
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.200
_reflns_d_resolution_low         7.885
_reflns_limit_h_max              6
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              6
_reflns_limit_l_min              -6
_reflns_number_total             574
_cod_data_source_file            c3cp51473k.cif
_cod_data_source_block           3LIB1N_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 (106
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 (183 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        417.80(10)
_cod_database_code               7211300
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000