Na[Li(NH2BH3)2]‒the first mixed-cation amidoborane with unusual crystal structure.
Fijalkowski, Karol J.; Genova, Radostina V.; Filinchuk, Yaroslav; Budzianowski, Armand; Derzsi, Mariana; Jaroń, Tomasz; Leszczyński, Piotr J; Grochala, Wojciech; Dalton transactions (Cambridge, England : 2003) 40 (2011) 4407–4413; doi:10.1039/c0dt01491e

data_7015325
_publ_section_title
;
 Na[Li(NH2BH3)2]--the first mixed-cation amidoborane with unusual
 crystal structure.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4407
_journal_page_last               4413
_journal_paper_doi               10.1039/c0dt01491e
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        'Synthesied in our laboratory'
_chemical_formula_iupac          'Li Na BH3 NH2'
_chemical_formula_moiety         '2(B H5 N), Na, Li'
_chemical_formula_structural     'Li Na BH3 NH2'
_chemical_formula_sum            'B2 H10 Li N2 Na'
_chemical_formula_weight         89.65
_chemical_name_common            'Lithium Sodium diamidoborane'
_chemical_name_systematic
;
Lithium Sodium diamidoborane
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.003(6)
_cell_angle_beta                 102.200(5)
_cell_angle_gamma                103.575(5)
_cell_formula_units_Z            2
_cell_length_a                   5.0197(4)
_cell_length_b                   7.1203(7)
_cell_length_c                   8.9198(9)
_cell_measurement_temperature    296
_cell_measurement_theta_max      23.3
_cell_measurement_theta_min      3
_cell_volume                     289.98(5)
_computing_cell_refinement       'TOPAS 4.2'
_computing_data_reduction        fit2d
_computing_molecular_graphics    'TOPAS Rigid-body editor & Mercury 2.3'
_computing_publication_material
'PLATON, publCIF, CrimsonEditor, Diamond 2.1d'
_computing_structure_refinement  'TOPAS 4.2'
_diffrn_ambient_temperature      296
_diffrn_detector                 two-dimensional
_diffrn_measurement_device_type  ESRF
_diffrn_radiation_source         X-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.738080
_exptl_absorpt_process_details   cylindical
_exptl_crystal_density_diffrn    1.027
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             96
_pd_block_diffractogram_id       2010-07-09T23:40|sample_7days|Filinchuk|ESRF
_pd_block_id                     LiNaAB2
_pd_char_colour                  'dark white'
_pd_char_particle_morphology     powder
_pd_instr_location               ' ESRF France.'
_pd_meas_2theta_range_inc        0.0147512
_pd_meas_scan_method             fixed
_pd_prep_conditions              'at argone atmosphere'
_pd_prep_pressure                101(1)
_pd_prep_temperature             296
_pd_proc_2theta_range_inc        0.0147512
_pd_proc_2theta_range_max        23.446833
_pd_proc_2theta_range_min        2.9428394
_pd_proc_ls_pref_orient_corr
;

;
_pd_proc_ls_profile_function
;
The modified Thompson-Cox-Hastings pseudo-Voigt
;
_pd_proc_ls_prof_R_factor        0.01913
_pd_proc_ls_prof_wR_expected     0.02040
_pd_proc_ls_prof_wR_factor       0.02505
_pd_proc_wavelength              0.738080
_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
_pd_spec_size_thick              0.3
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.228
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    23
_refine_ls_number_parameters     98
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            0.02072
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details
'1/(\s(Y~o,m~)^2^), where \s(Y~o,m~) is the error in observed data'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c0dt01491e.txt
_cod_data_source_block           LiNaAB2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_formula_sum        'B2 H10 Li1 N2 Na1'
_cod_database_code               7015325