LMucko/crystallography-open-database huggingface dataset:
Synthesis and crystal structure of MIL-32: a new chiral layered aluminophosphate templated with non chiral tris(2-aminoethyl)amine: Al3(PO4)4, N4C6H21, H2O
N. Simon; T. Loiseau; G. Ferey; Solid State Sciences 2 (2000) 391–397; doi:

data_1520501
_publ_section_title
;
 Synthesis and crystal structure of MIL-32: a new chiral layered
 aluminophosphate templated with non chiral tris(2-aminoethyl)amine:
 Al3(PO4)4, N4C6H21, H2O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              391
_journal_page_last               397
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'C6 H23 Al3 N4 O17 P4'
_chemical_formula_weight         628.10
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.543(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.1418(5)
_cell_length_b                   8.5274(2)
_cell_length_c                   14.5450(1)
_cell_volume                     2298.11(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.576
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_F_000             1312
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5299
_refine_ls_R_factor_gt           0.0712
_refine_ls_wR_factor_gt          0.1703
_cod_data_source_file            SSS-2000-2-391-397.cif
_cod_data_source_block           MIL-32
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               1520501
Synthesis and crystal structure of (o-CH3C6H4NH3)2H2P2O7
S Akriche; M Rzaigui; Solid State Sciences 2 (2000) 399–405; doi:

data_1520503
_publ_section_title
;
 Synthesis and crystal structure of (o-CH3C6H4NH3)2H2P2O7
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              399
_journal_page_last               405
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'C14 H22 N2 O7 P2'
_chemical_formula_weight         392.32
_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                 89.93(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.258(3)
_cell_length_b                   19.696(4)
_cell_length_c                   11.578(5)
_cell_volume                     3479.4(18)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.962
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_F_000             1648
_refine_ls_number_parameters     627
_refine_ls_number_reflns         5496
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_gt          0.052
_cod_data_source_file            SSS-2000-2-399-405.cif
_cod_data_source_block           1
_cod_depositor_comments
;
OE31 y coordinate changed from 0.8890 to 0.2890
OE11 y coordinate changed from 0.18 to 0.1800
;
_cod_original_cell_volume        3479(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520503
The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot; Solid State Sciences 2 (2000) 553–562; doi:

data_1520508
_publ_section_title
;
 The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2:
 some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              553
_journal_page_last               562
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Bi I O3 Te'
_chemical_formula_weight         511.483
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.10811(8)
_cell_length_b                   4.10811(8)
_cell_length_c                   27.988(1)
_cell_volume                     472.34(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a1
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    171.412
_exptl_crystal_density_diffrn    7.193
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             848
_pd_proc_ls_prof_R_factor        0.0696
_pd_proc_ls_prof_wR_factor       0.0926
_cod_data_source_file            SSS-2000-2-553-562-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
Rietveld refinements using GSAS
;
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               1520508
The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot; Solid State Sciences 2 (2000) 553–562; doi:

data_1520509
_publ_section_title
;
 The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2:
 some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              553
_journal_page_last               562
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Br Nd O3 Te'
_chemical_formula_weight         399.744
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.06603(7)
_cell_length_b                   4.06603(7)
_cell_length_c                   26.922(1)
_cell_volume                     445.09(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           white
_exptl_crystal_density_diffrn    5.865
_pd_proc_ls_prof_R_factor        0.0693
_pd_proc_ls_prof_wR_factor       0.0662
_cod_data_source_file            SSS-2000-2-553-562-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
Rietveld refinements using GSAS, neutron at ISIS
;
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               1520509
The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot; Solid State Sciences 2 (2000) 553–562; doi:

data_1520510
_publ_section_title
;
 The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2:
 some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              553
_journal_page_last               562
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Cl Nd O3 Te'
_chemical_formula_weight         355.293
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.08096(8)
_cell_length_b                   4.03441(8)
_cell_length_c                   25.7582(7)
_cell_volume                     424.090(17)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           white
_pd_proc_ls_prof_R_factor        0.0911
_pd_proc_ls_prof_wR_factor       0.0991
_cod_data_source_file            SSS-2000-2-553-562-3.cif
_cod_data_source_block           3
_cod_depositor_comments
;
 Changing atom parameters to '?' to indicate that atomic coordinates
 for this entry are unknown.

 Antanas Vaitkus,
 2017-01-27

Rietveld refinements using GSAS, neutron at ISIS

"several reflections were not indexed by this cell, and attempts 
at Rietveld refinement for both the X-ray and neutron datasets, 
using an appropriately distorted model, suggested some structural 
inadequacies, due to high thermal parameters, particularly for 
the Cl atoms. Although we believe the basic structural model is 
correct, we have chosen not to present our results in full at 
this stage"
;
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               1520510
The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2: some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
Peter S. Berdonosov; Dmitry O. Charkin; Ardak M. Kusainova; Charles H. Hervoches; Valeriy A. Dolgikh; Philip Lightfoot; Solid State Sciences 2 (2000) 553–562; doi:

data_1520511
_publ_section_title
;
 The crystal structures of BiTeO3I, NdTeO3X (X=Cl, Br) and Bi5TeO8.5I2:
 some crystal chemistry peculiarities of layered Bi(Ln)Te oxyhalides
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              553
_journal_page_last               562
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Bi5 I2 O8.5 Te'
_chemical_formula_weight         1562.31
_space_group_IT_number           35
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      35
_symmetry_space_group_name_Hall  'C 2 -2'
_symmetry_space_group_name_H-M   'C m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.6878(3)
_cell_length_b                   5.7230(3)
_cell_length_c                   9.7260(6)
_cell_volume                     316.59(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           white
_exptl_crystal_density_diffrn    8.194
_pd_proc_ls_prof_R_factor        0.092
_pd_proc_ls_prof_wR_factor       0.112
_cod_data_source_file            SSS-2000-2-553-562-4.cif
_cod_data_source_block           4
_cod_depositor_comments
;
Rietveld refinements using GSAS, neutron at ISIS
;
_cod_database_code               1520511
Synthesis, crystal structure and optical properties of the new tantalum polysulfide Rb6Ta4S25 and its thermal degradation to Rb6Ta4S22
Petra Stoll; Christian Nather; Inke Jeb; Wolfgang Bensch; Solid State Sciences 2 (2000) 563–568; doi:

data_1520512
_publ_section_title
;
 Synthesis, crystal structure and optical properties of the new tantalum
 polysulfide Rb6Ta4S25 and its thermal degradation to Rb6Ta4S22
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              563
_journal_page_last               568
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Rb6 S25 Ta4'
_chemical_formula_weight         2038.37
_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                 98.858(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.943(2)
_cell_length_b                   8.1028(3)
_cell_length_c                   12.6415(8)
_cell_volume                     3739.0(3)
_diffrn_ambient_temperature      200
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.829
_exptl_crystal_density_diffrn    3.621
_exptl_crystal_F_000             3656
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_number_parameters     160
_refine_ls_number_reflns         5065
_refine_ls_R_factor_gt           0.0276
_refine_ls_wR_factor_gt          0.0714
_cod_data_source_file            SSS-2000-2-563-568.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1520512
The compound Tl4Cu4(P2O7)3, a new three-dimensional structure with interconnected tunnels
M Fakhfakh; S Ammar-Merah; N Jouini; Solid State Sciences 2 (2000) 587–594; doi:10.1016/S1293-2558(00)01060-8

data_1520541
_publ_section_title
;
 The compound Tl4Cu4(P2O7)3, a new three-dimensional structure with
 interconnected tunnels
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              587
_journal_page_last               594
_journal_paper_doi               10.1016/S1293-2558(00)01060-8
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'Cu4 O21 P6 Tl4'
_chemical_formula_weight         1593.55
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.171(2)
_cell_length_b                   10.558(1)
_cell_length_c                   9.676(1)
_cell_volume                     2060.7(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    36.213
_exptl_crystal_density_diffrn    5.201
_exptl_crystal_F_000             2792
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_number_parameters     161
_refine_ls_number_reflns         1303
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_gt          0.093
_cod_data_source_file            SSS-2000-2-587-594.cif
_cod_data_source_block           1
_cod_original_cell_volume        2035.3(3)
_cod_database_code               1520541
Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.
Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 13173–13185; doi:10.1039/c5dt00859j

data_7035411
_publ_section_title
;
 Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift
 competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13173
_journal_page_last               13185
_journal_paper_doi               10.1039/c5dt00859j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'Ba8 Nb6 O24 Zn'
_chemical_formula_weight         2105.43
_chemical_name_mineral           Perovskite
_space_group_IT_number           164
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            1
_cell_length_a                   5.7931(0)
_cell_length_b                   5.7931(0)
_cell_length_c                   18.9035(2)
_cell_volume                     549.408(6)
_cod_data_source_file            c5dt00859j1.cif
_cod_data_source_block           Ba8ZnNb6O24
_cod_depositor_comments
;
 Changing the symmetry operation ids associated with operations
 'x, y, z' and '-y, x-y, z' from '3' to '1' and '2' accordingly
 in order to make all of the id values unique.

 Antanas Vaitkus,
 2018-07-07

 Correcting the way positive oxidation state values are written by
 removing the trailing plus sign ('+') since the value must be
 a numeric value according to the CIF core dictionary version 2.4.5.

 Antanas Vaitkus,
 2017-01-11

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035411--7035412.cif.
;
_cod_original_cell_volume        549.408(7)
_cod_database_code               7035411
Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.
Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping; Dalton transactions (Cambridge, England : 2003) 44 (2015) 13173–13185; doi:10.1039/c5dt00859j

data_7035412
_publ_section_title
;
 Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift
 competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13173
_journal_page_last               13185
_journal_paper_doi               10.1039/c5dt00859j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'Ba8 Nb5.1 O24 Sb0.9 Zn'
_chemical_formula_weight         2131.389
_chemical_name_mineral           Perovskite
_space_group_IT_number           185
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            3
_cell_length_a                   10.08267(2)
_cell_length_b                   10.08267(2)
_cell_length_c                   19.05159(6)
_cell_volume                     1677.309(7)
_cod_data_source_file            c5dt00859j1.cif
_cod_data_source_block           Ba8ZnNb5.1Sb0.9O24
_cod_depositor_comments
;
 Correcting the way positive oxidation state values are written by
 removing the trailing plus sign ('+') since the value must be
 a numeric value according to the CIF core dictionary version 2.4.5.

 Antanas Vaitkus,
 2017-01-11

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035411--7035412.cif.
;
_cod_original_cell_volume        1677.31(1)
_cod_database_code               7035412
Synthesis of [3(2)]Bis([2(4).3(1)]adamanzane), 1,4,8,11,15,18,22,25-Octaazapentacyclo[20.6.2.2(4,25).2(8,15).2(11,18)] hexatriacontane, and Crystal Structure of the Tetrachlorozincate Salt of the Tetraprotonated Octaamine
Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Sotofte, Inger; Acta Chemica Scandinavica 53 (1999) 985–991; doi:10.3891/acta.chem.scand.53-0985

data_1520548
_publ_section_title
;
 Synthesis of [3(2)]Bis([2(4).3(1)]adamanzane),
 1,4,8,11,15,18,22,25-Octaazapentacyclo[20.6.2.2(4,25).2(8,15).2(11,18)]
 hexatriacontane, and Crystal Structure of the Tetrachlorozincate Salt of
 the Tetraprotonated Octaamine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              985
_journal_page_last               991
_journal_paper_doi               10.3891/acta.chem.scand.53-0985
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H63 Cl8 N8 O1.5 Zn2'
_chemical_formula_weight         950.20
_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                 100.00(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.434(2)
_cell_length_b                   9.617(2)
_cell_length_c                   18.981(4)
_cell_volume                     2055.5(7)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.723
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_F_000             990
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_number_parameters     344
_refine_ls_number_reflns         3906
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_gt          0.0813
_cod_data_source_file            Acta-Chem-Scand-1999-53-985-991.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520548
Reaction of TeBr4 with SbBr3 in the Presence of [C6H5(CH3)3N]Br: Crystal Structures of [C6H5(CH3)3N]2[Te2Br10] and [C6H5(CH3)3N][SbTeOBr6]
Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan; Acta Chemica Scandinavica 53 (1999) 992–996; doi:10.3891/acta.chem.scand.53-0992

data_1520549
_publ_section_title
;
 Reaction of TeBr4 with SbBr3 in the Presence of [C6H5(CH3)3N]Br: Crystal
 Structures of [C6H5(CH3)3N]2[Te2Br10] and [C6H5(CH3)3N][SbTeOBr6]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              992
_journal_page_last               996
_journal_paper_doi               10.3891/acta.chem.scand.53-0992
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C18 H28 Br10 N2 Te2'
_chemical_formula_weight         1326.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.52(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.354(2)
_cell_length_b                   11.683(3)
_cell_length_c                   17.753(4)
_cell_volume                     1708.8(7)
_diffrn_ambient_temperature      263
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    13.41
_exptl_crystal_density_diffrn    2.58
_exptl_crystal_density_meas      2.54
_exptl_crystal_F_000             1208
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_number_parameters     149
_refine_ls_number_reflns         2985
_refine_ls_R_factor_gt           0.0740
_refine_ls_wR_factor_gt          0.1725
_cod_data_source_file            Acta-Chem-Scand-1999-53-992-996-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1520549