Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.
Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16737–16746; doi:10.1039/c8dt03654c

data_7047948
_publ_section_title
;
 Disorder induced polymorphic transitions in the high hydrogen density
 compound
 Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16737
_journal_page_last               16746
_journal_paper_doi               10.1039/c8dt03654c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'B4 H20 N2 Sr'
_chemical_formula_weight         179.04
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_audit_update_record
;
2018-09-10 deposited with the CCDC.
2018-11-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
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_cell_length_b                   13.68873(15)
_cell_length_c                   8.50066(10)
_cell_measurement_temperature    344
_cell_volume                     999.91(2)
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_ambient_temperature      344
_diffrn_detector_type            'PILATUS2M detector'
_diffrn_measurement_device_type  'Synchrotron, PILATUS2M detector'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.69449
_diffrn_source                   Synchrotron
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.008826
_pd_meas_2theta_range_max        29.62592
_pd_meas_2theta_range_min        0.00441
_pd_meas_number_of_points        3358
_pd_proc_2theta_range_inc        0.008826
_pd_proc_2theta_range_max        29.6218
_pd_proc_2theta_range_min        0.0003
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.6872
_pd_proc_ls_prof_wR_expected     0.0899
_pd_proc_ls_prof_wR_factor       2.7772
_pd_proc_wavelength              0.694490
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     48
_refine_ls_number_reflns         125
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.6651
_cod_data_source_file            c8dt03654c2.cif
_cod_data_source_block           beta_Sr(BH4)2(NH3BH3)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7047947--7047948.cif.
;
_cod_original_cell_volume        999.908(20)
_cod_original_sg_symbol_Hall     'A 2 -2ac'
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_database_code               7047948
_pd_proc_ls_prof_cr_factor       10.2148
_pd_proc_ls_prof_cwr_factor      8.9246
_pd_proc_ls_prof_cwr_expected    0.2888
_pd_proc_ls_prof_chi2            954.7999
_pd_proc_ls_prof_echi2           1116.1096