Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.
Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 8307–8319; doi:10.1039/c8dt00118a

data_7702913
_publ_section_title
;
 Synthesis, structure, and polymorphic transitions of praseodymium(iii)
 and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and
 Nd(BH<sub>4</sub>)<sub>3</sub>.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8307
_journal_page_last               8319
_journal_paper_doi               10.1039/c8dt00118a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_iupac          Nd(BH4)3
_chemical_formula_sum            'B3 H12 Nd'
_chemical_formula_weight         188.77
_space_group_IT_number           226
_space_group_name_Hall           '-F 4a 2 3'
_space_group_name_H-M_alt        'F m -3 c'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   11.3903(18)
_cell_length_b                   11.3903(18)
_cell_length_c                   11.3903(18)
_cell_measurement_temperature    298
_cell_volume                     1477.8(4)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_meas_2theta_range_inc        0.007029
_pd_meas_2theta_range_max        10.15280
_pd_meas_2theta_range_min        1.11330
_pd_meas_number_of_points        0
_pd_proc_2theta_range_inc        0.007029
_pd_proc_2theta_range_max        10.1524
_pd_proc_2theta_range_min        1.1129
_pd_proc_ls_prof_R_factor        1.0586
_pd_proc_ls_prof_wR_expected     0.0625
_pd_proc_ls_prof_wR_factor       2.3659
_pd_proc_wavelength              0.207240
_refine_ls_number_parameters     41
_refine_ls_number_reflns         34
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.4410
_cod_data_source_file            c8dt00118a1.cif
_cod_data_source_block           Fm-3C
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     '-F 4c 2 3'
_cod_database_code               7702913
_publcif_datablock.id            {ae929ef5-a997-4b57-b515-b84e61cb3536}
_pd_proc_ls_prof_cr_factor       6.1703
_pd_proc_ls_prof_cwr_factor      10.1453
_pd_proc_ls_prof_cwr_expected    0.2679
_pd_proc_ls_prof_chi2            1433.7228
_pd_proc_ls_prof_echi2           1486.5513
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n