LMucko/crystallography-open-database huggingface dataset:
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Kim, Young-Il; Paik, Younkee; Avdeev, Maxim; Crystal Growth & Design 15 (2015) 53–; doi:10.1021/cg500739s

data_4512482
_publ_section_title
;
 Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba;
 M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              53
_journal_paper_doi               10.1021/cg500739s
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'Li0.19 N0.2 O2.8 Sr Ta0.81'
_chemical_formula_weight         282.59
_chemical_name_systematic        ' ?'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_audit_creation_date             2014-05-09T10:10
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2014-05-09T10:10  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.67388(32)
_cell_length_b                   5.67388
_cell_length_c                   8.0431(8)
_cell_volume                     258.93(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2014-05-09T10:10|SLTON_phase1|||
_pd_phase_name                   I4/mcm
_refine_ls_goodness_of_fit_all   1.57
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            cg500739s_si_002.cif
_cod_data_source_block           SLTON_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (118
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (792
times).

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4512482--4512485.cif.
;
_cod_original_cell_volume        258.931(16)
_cod_original_formula_sum        'Li0.19 N0.20 O2.80 Sr Ta0.81'
_cod_database_code               4512482
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Kim, Young-Il; Paik, Younkee; Avdeev, Maxim; Crystal Growth & Design 15 (2015) 53–; doi:10.1021/cg500739s

data_4512483
_publ_section_title
;
 Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba;
 M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              53
_journal_paper_doi               10.1021/cg500739s
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'N0.2 Na0.19 O2.8 Sr Ta0.81'
_chemical_formula_weight         285.98
_chemical_name_systematic        ' ?'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_audit_creation_date             2014-05-09T10:11
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2014-05-09T10:11  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.7216(6)
_cell_length_b                   5.7216
_cell_length_c                   8.0923(10)
_cell_volume                     264.92(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2014-05-09T10:11|SNTON_phase1|||
_pd_phase_name                   Tet
_refine_ls_goodness_of_fit_all   1.48
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          7.60
_refine_ls_shift/su_mean         0.25
_cod_data_source_file            cg500739s_si_003.cif
_cod_data_source_block           SNTON_phase_1
_cod_depositor_comments
'Adding full bibliography for 4512482--4512485.cif.'
_cod_original_cell_volume        264.914(29)
_cod_original_formula_sum        'N0.20 Na0.19 O2.80 Sr Ta0.81'
_cod_database_code               4512483
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Kim, Young-Il; Paik, Younkee; Avdeev, Maxim; Crystal Growth & Design 15 (2015) 53–; doi:10.1021/cg500739s

data_4512484
_publ_section_title
;
 Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba;
 M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              53
_journal_paper_doi               10.1021/cg500739s
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'Ba N0.3 Na0.18 O2.7 Ta0.82'
_chemical_formula_weight         336.85
_chemical_name_systematic        ' ?'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_date             2014-05-09T10:00
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2014-05-09T10:00  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.13059(5)
_cell_length_b                   4.13059
_cell_length_c                   4.13059
_cell_volume                     70.4752(9)
_computing_structure_refinement  GSAS
_pd_block_id                     2014-05-09T10:00|BNTON_phase1|||
_pd_phase_name                   cubic
_refine_ls_goodness_of_fit_all   1.71
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            cg500739s_si_005.cif
_cod_data_source_block           BNTON_phase_1
_cod_depositor_comments
'Adding full bibliography for 4512482--4512485.cif.'
_cod_original_cell_volume        70.4750(30)
_cod_original_formula_sum        'Ba N0.30 Na0.18 O2.70 Ta0.82'
_cod_database_code               4512484
Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
Kim, Young-Il; Paik, Younkee; Avdeev, Maxim; Crystal Growth & Design 15 (2015) 53–; doi:10.1021/cg500739s

data_4512485
_publ_section_title
;
 Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba;
 M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study
;
_journal_issue                   1
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              53
_journal_paper_doi               10.1021/cg500739s
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'Ba Li0.2 N0.19 O2.81 Ta0.8'
_chemical_formula_weight         330.86
_chemical_name_systematic        ' ?'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_audit_creation_date             2014-05-09T09:58
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2014-05-09T09:58  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.10778(5)
_cell_length_b                   4.10778
_cell_length_c                   4.10778
_cell_volume                     69.3141(8)
_computing_structure_refinement  GSAS
_pd_block_id                     2014-05-09T09:58|BLTON_phase1|||
_pd_phase_name                   'simple cubic'
_refine_ls_goodness_of_fit_all   1.52
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            cg500739s_si_004.cif
_cod_data_source_block           BLTON_phase_1
_cod_depositor_comments
'Adding full bibliography for 4512482--4512485.cif.'
_cod_original_cell_volume        69.3140(20)
_cod_original_formula_sum        'Ba Li0.20 N0.19 O2.81 Ta0.80'
_cod_database_code               4512485
Classical and Nonclassical Germanium Environments in High-Pressure BaGe5.
Castillo, Rodrigo; Carrillo-Cabrera, Wilder; Schwarz, Ulrich; Grin, Yuri; Inorganic chemistry 54 (2015) 1019–1025; doi:10.1021/ic502396p

data_4341884
_publ_section_title
;
 Classical and Nonclassical Germanium Environments in High-Pressure BaGe5.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1019
_journal_page_last               1025
_journal_paper_doi               10.1021/ic502396p
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'Ge5, Ba'
_chemical_formula_sum            'Ba Ge5'
_chemical_formula_weight         500.38
_chemical_name_systematic        ' ?'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3421(8)
_cell_length_b                   4.8728(5)
_cell_length_c                   13.7202(9)
_cell_measurement_temperature    293
_cell_volume                     557.72(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.43046
_exptl_absorpt_coefficient_mu    8.419
_exptl_crystal_density_diffrn    5.959
_exptl_crystal_F_000             1216
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.001
_pd_meas_2theta_range_max        34.000
_pd_meas_2theta_range_min        3.000
_pd_meas_number_of_points        31001
_pd_proc_2theta_range_inc        0.001
_pd_proc_2theta_range_max        34
_pd_proc_2theta_range_min        3
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0429
_pd_proc_ls_prof_wR_expected     0.0775
_pd_proc_ls_prof_wR_factor       0.0592
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.44
_refine_ls_goodness_of_fit_all   0.76
_refine_ls_number_constraints    0
_refine_ls_number_parameters     12
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0126
_refine_ls_R_factor_gt           0.0126
_refine_ls_shift/su_max          0.0065
_refine_ls_shift/su_mean         0.0009
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0186
_refine_ls_wR_factor_gt          0.0186
_cod_data_source_file            ic502396p_si_001.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4341884.cif.
;
_cod_database_code               4341884
Oxohalo complexes of W (V) and W (IV). The synthesis od crystal structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
Cotton, F. A.; Mandal, S. K.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 775–797; doi:

data_4030337
_publ_section_title
;
 Oxohalo complexes of W (V) and W (IV). The synthesis od crystal
 structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and
 [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              775
_journal_page_last               797
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'C76 H68 B Cl O P4 W'
_chemical_formula_weight         1351.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.09(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.291(3)
_cell_length_b                   24.274(9)
_cell_length_c                   26.070(10)
_cell_volume                     6476(4)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.0034
_exptl_crystal_density_diffrn    1.386
_refine_ls_number_parameters     756
_refine_ls_number_reflns         4852
_refine_ls_R_factor_gt           0.074
_refine_ls_wR_factor_gt          0.092
_cod_data_source_file            EJSSIC-1991-28-775-797-1.cif
_cod_data_source_block           oxohalo-complex-1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030337
Oxohalo complexes of W (V) and W (IV). The synthesis od crystal structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
Cotton, F. A.; Mandal, S. K.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 775–797; doi:

data_4030338
_publ_section_title
;
 Oxohalo complexes of W (V) and W (IV). The synthesis od crystal
 structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and
 [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              775
_journal_page_last               797
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'C16 H23 Br4 O2 P2 W'
_chemical_formula_weight         812.8
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.20(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   13.169(4)
_cell_length_b                   13.059(6)
_cell_length_c                   28.222(11)
_cell_volume                     4777(3)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    12.337
_exptl_crystal_density_diffrn    2.26
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2488
_refine_ls_R_factor_gt           0.074
_refine_ls_wR_factor_gt          0.092
_cod_data_source_file            EJSSIC-1991-28-775-797-2.cif
_cod_data_source_block           oxohalo-complex-2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4030338
Oxohalo complexes of W (V) and W (IV). The synthesis od crystal structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
Cotton, F. A.; Mandal, S. K.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 775–797; doi:

data_4030339
_publ_section_title
;
 Oxohalo complexes of W (V) and W (IV). The synthesis od crystal
 structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and
 [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              775
_journal_page_last               797
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'C20 H30 Br4 Li O4 P2 W'
_chemical_formula_weight         906.8
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.94(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.461(5)
_cell_length_b                   10.199(2)
_cell_length_c                   19.767(9)
_cell_volume                     2915.0(18)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    9.6125
_exptl_crystal_density_diffrn    2.07
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3823
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.066
_cod_data_source_file            EJSSIC-1991-28-775-797-3.cif
_cod_data_source_block           oxohalo-complex-3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4030339
Synthesis and crystal structure of Re2O7.2CH3CN
Roesky, H. W.; Hesse, D.; Noltemeyer, M.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 809–814; doi:

data_4030340
_publ_section_title
;
 Synthesis and crystal structure of Re2O7.2CH3CN
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              809
_journal_page_last               814
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'C4 H6 N2 O7 Re2'
_chemical_formula_weight         566.5
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.50(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4190(10)
_cell_length_b                   11.729(4)
_cell_length_c                   8.373(2)
_cell_volume                     530.5(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    23.129
_exptl_crystal_density_diffrn    3.546
_exptl_crystal_F_000             500
_refine_ls_number_reflns         722
_refine_ls_R_factor_gt           0.081
_refine_ls_wR_factor_gt          0.096
_cod_data_source_file            EJSSIC-1991-28-809-814.cif
_cod_data_source_block           Re2O7-2CH3CN
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4030340
Vibrational spectra and crystal structure of (XeF5)2NiF6 and its decomposition in the laser beam followed by Raman spectroscopy
Jesih, A.; Lutar, K.; Leban, I.; Zemva, B.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 829–840; doi:

data_4030341
_publ_section_title
;
 Vibrational spectra and crystal structure of (XeF5)2NiF6 and its
 decomposition in the laser beam followed by Raman spectroscopy
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              829
_journal_page_last               840
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'F16 Ni Xe2'
_chemical_formula_weight         625.3
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.837(2)
_cell_length_b                   11.148(2)
_cell_length_c                   10.952(1)
_cell_volume                     2299.9(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.68
_exptl_crystal_density_diffrn    3.612
_exptl_crystal_F_000             2240
_refine_ls_number_parameters     172
_refine_ls_number_reflns         1084
_refine_ls_R_factor_gt           0.056
_refine_ls_wR_factor_gt          0.069
_cod_data_source_file            EJSSIC-1991-28-829-840.cif
_cod_data_source_block           (XeF5)2NiF6
_cod_database_code               4030341
Reactions of diisopropylcarbodiimide with dehalogenation products of (disopropylamino) difluoroborane
Maringgele, W.; Stalke, D.; Heine, A.; Meller, A.; European Journal of Solid State and Inorganic Chemistry 28 (1991) 867–881; doi:

data_4030343
_publ_section_title
;
 Reactions of diisopropylcarbodiimide with dehalogenation products of
 (disopropylamino) difluoroborane
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              867
_journal_page_last               881
_journal_volume                  28
_journal_year                    1991
_chemical_formula_sum            'C16 H36 B2 N4 O3'
_chemical_formula_weight         354.11
_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                97.86(2)
_cell_angle_beta                 98.40(2)
_cell_angle_gamma                95.17(1)
_cell_formula_units_Z            2
_cell_length_a                   7.090(1)
_cell_length_b                   8.530(2)
_cell_length_c                   17.341(4)
_cell_volume                     1021.2(4)
_diffrn_ambient_temperature      153
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.07
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_F_000             388
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2374
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.041
_cod_data_source_file            EJSSIC-1991-28-867-881-1.cif
_cod_data_source_block           3
_cod_database_code               4030343