LMucko/crystallography-open-database huggingface dataset:
; Chemistry of Materials  (2005) –; doi:10.1021/cm0501214

data_4000585
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0501214
_journal_year                    2005
_chemical_formula_structural     'La2 Mo1.5 W0.5 O9'
_chemical_formula_sum            'La2 Mo1.5 O8.96 W0.5'
_chemical_formula_weight         657.6406
_chemical_name_structure_type    beta-La2Mo2O9
_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1589(7)
_cell_length_b                   7.1589(7)
_cell_length_c                   7.1589(7)
_cell_volume                     366.9(1)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_database_code               4000585
; Chemistry of Materials  (2005) –; doi:10.1021/cm0501214

data_4000586
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0501214
_journal_year                    2005
_chemical_formula_structural     'La2 Mo1.25 W0.75 O9'
_chemical_formula_sum            'La2 Mo1.25 O8.96 W0.75'
_chemical_formula_weight         679.6181
_chemical_name_structure_type    beta-La2Mo2O9
_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1540(1)
_cell_length_b                   7.1540(1)
_cell_length_c                   7.1540(1)
_cell_volume                     366.1(0)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_database_code               4000586
; Chemistry of Materials  (2005) –; doi:10.1021/cm0501214

data_4000587
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0501214
_journal_year                    2005
_chemical_formula_structural     'La2 Mo W O9'
_chemical_formula_sum            'La2 Mo O8.96 W'
_chemical_formula_weight         701.5956
_chemical_name_structure_type    beta-La2Mo2O9
_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1506(1)
_cell_length_b                   7.1506(1)
_cell_length_c                   7.1506(1)
_cell_volume                     365.6(0)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_database_code               4000587
; Chemistry of Materials  (2005) –; doi:10.1021/cm0501214

data_4000588
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0501214
_journal_year                    2005
_chemical_formula_structural     'La2 Mo0.8 W1.2 O9'
_chemical_formula_sum            'La2 Mo0.8 O8.96 W1.2'
_chemical_formula_weight         719.1776
_chemical_name_structure_type    beta-La2Mo2O9
_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1459(1)
_cell_length_b                   7.1459(1)
_cell_length_c                   7.1459(1)
_cell_volume                     364.9(0)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_database_code               4000588
; Chemistry of Materials  (2005) –; doi:10.1021/cm0501214

data_4000589
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0501214
_journal_year                    2005
_chemical_formula_structural     'La2 Mo0.6 W1.4 O9'
_chemical_formula_sum            'La2 Mo0.6 O8.96 W1.4'
_chemical_formula_weight         736.7596
_chemical_name_structure_type    beta-La2Mo2O9
_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_Hall           'P 2ac 2ab 3'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.1408(1)
_cell_length_b                   7.1408(1)
_cell_length_c                   7.1408(1)
_cell_volume                     364.1(0)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_database_code               4000589
; Chemistry of Materials  (2005) –; doi:10.1021/cm0502931

data_4000590
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0502931
_journal_year                    2005
_chemical_formula_sum            'Ag Bi2.66 S5 Sb0.34'
_chemical_formula_weight         865.23
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.347(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.302(4)
_cell_length_b                   4.0381(11)
_cell_length_c                   16.388(5)
_cell_measurement_temperature    293(2)
_cell_volume                     877.8(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.547
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4000590
; Chemistry of Materials  (2005) –; doi:10.1021/cm0502931

data_4000591
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0502931
_journal_year                    2005
_chemical_formula_sum            'Ag Bi3 S5'
_chemical_formula_weight         895.11
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.158(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.345(3)
_cell_length_b                   4.0416(8)
_cell_length_c                   16.439(3)
_cell_measurement_temperature    293(2)
_cell_volume                     884.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.723
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4000591
Thermal Conversion of Guanylurea Dicyanamide into Graphitic Carbon Nitride via Prototype CNx Precursors
Bettina V. Lotsch; Wolfgang Schnick; Chemistry of Materials  (2005) –; doi:10.1021/cm050350q

data_4000592
_publ_section_title
;
Thermal Conversion of Guanylurea Dicyanamide
into Graphitic Carbon Nitride via Prototype CNx Precursors
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050350q
_journal_year                    2005
_chemical_formula_moiety         'C2 H7 N4 O1, C2 N3'
_chemical_formula_sum            'C4 H7 N7 O'
_chemical_formula_weight         169.17
_chemical_name_common            'Guanylurea dicyanamide'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.49(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.490(5)
_cell_length_b                   4.8389(10)
_cell_length_c                   13.824(3)
_cell_measurement_temperature    130(2)
_cell_volume                     1483.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.514
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4000592
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm0503634

data_4000593
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0503634
_journal_year                    2005
_chemical_formula_sum            'Co2 H4 Mo10 N4 O38'
_chemical_formula_weight         1745.33
_space_group_IT_number           7
_symmetry_cell_setting           ?
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 108.744(2)
_cell_angle_gamma                90.000(2)
_cell_formula_units_Z            4
_cell_length_a                   12.5807(13)
_cell_length_b                   12.7201(13)
_cell_length_c                   13.9130(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2108.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.498
_cod_original_sg_symbol_H-M      'P n'
_cod_original_formula_sum        'H4 Co2 Mo10 N4 O38'
_cod_database_code               4000593
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm0503634

data_4000594
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0503634
_journal_year                    2005
_chemical_formula_sum            'Co5 Mo5 N5 O14'
_chemical_formula_weight         1068.40
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 105.713(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   15.700(5)
_cell_length_b                   13.050(5)
_cell_length_c                   26.980(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5321(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.667
_cod_depositor_comments
;

2021-10-24
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'Co20 Mo20 N20 O56'
_cod_original_formula_weight         4273.60
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4000594
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm050377+

data_4000595
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050377+
_journal_year                    2005
_chemical_formula_sum            'C24 H24 Bi Br3 S6'
_chemical_formula_weight         953.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.0052(5)
_cell_angle_beta                 99.8834(5)
_cell_angle_gamma                97.6791(5)
_cell_formula_units_Z            2
_cell_length_a                   8.00120(10)
_cell_length_b                   14.1769(2)
_cell_length_c                   14.1819(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1476.98(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.144
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000595
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm050377+

data_4000596
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050377+
_journal_year                    2005
_chemical_formula_sum            'C24 H24 Bi2 Br6 S6'
_chemical_formula_weight         1402.21
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.5783(5)
_cell_angle_beta                 86.4844(4)
_cell_angle_gamma                68.5989(5)
_cell_formula_units_Z            2
_cell_length_a                   12.2882(2)
_cell_length_b                   12.55970(10)
_cell_length_c                   13.0650(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1777.84(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.619
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000596
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm050377+

data_4000597
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050377+
_journal_year                    2005
_chemical_formula_sum            'C30 H36 Bi2 Br6 S6'
_chemical_formula_weight         1486.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.9694(4)
_cell_angle_beta                 100.3993(4)
_cell_angle_gamma                94.5313(6)
_cell_formula_units_Z            2
_cell_length_a                   8.95470(10)
_cell_length_b                   14.82580(10)
_cell_length_c                   16.5651(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2081.71(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.371
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4000597
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm050377+

data_4000598
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050377+
_journal_year                    2005
_chemical_formula_sum            'C86 H112 Bi4 Br12 S12'
_chemical_formula_weight         3325.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.4605(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.1249(3)
_cell_length_b                   16.0700(2)
_cell_length_c                   22.8463(2)
_cell_measurement_temperature    293(2)
_cell_volume                     11719.4(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.885
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4000598
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm0504889

data_4000599
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0504889
_journal_year                    2005
_chemical_formula_sum            'C32 H20 S2'
_chemical_formula_weight         468.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.272(4)
_cell_angle_beta                 94.846(3)
_cell_angle_gamma                92.070(4)
_cell_formula_units_Z            2
_cell_length_a                   5.7676(11)
_cell_length_b                   8.5369(16)
_cell_length_c                   22.949(4)
_cell_measurement_temperature    253(2)
_cell_volume                     1106.3(4)
_diffrn_ambient_temperature      253(2)
_exptl_crystal_density_diffrn    1.407
_cod_database_code               4000599
Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
; Chemistry of Materials  (2005) –; doi:10.1021/cm0504889

data_4000600
_publ_section_title
;
Evidence and characterization of a new decamolybdocobaltate cobalt salt,
an efficient precursor for hydrotreating catalyst preparation
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0504889
_journal_year                    2005
_chemical_formula_sum            'C30 H20 S2'
_chemical_formula_weight         444.58
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.215(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.0077(8)
_cell_length_b                   5.6402(5)
_cell_length_c                   23.749(2)
_cell_measurement_temperature    253(2)
_cell_volume                     1058.78(17)
_diffrn_ambient_temperature      253(2)
_exptl_crystal_density_diffrn    1.395
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4000600
; Chemistry of Materials  (2005) –; doi:10.1021/cm050513a

data_4000601
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050513a
_journal_year                    2005
_chemical_formula_sum            'Al7 La2 Ni'
_chemical_formula_weight         525.4
_space_group_IT_number           107
_space_group_name_Hall           'I 4 -2'
_space_group_name_H-M_alt        'I 4 m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.221(3)
_cell_length_b                   6.221(3)
_cell_length_c                   21.403(2)
_cell_volume                     828.3(2)
_exptl_crystal_density_diffrn    4.2116
_cod_original_sg_symbol_Hall     'I 4;-2'
_cod_original_formula_sum        'Al7 La2 Ni1'
_cod_database_code               4000601
'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and Monoradicals: Molecular Spin Clusters in the Crystal'
Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Chemistry of Materials  (2005) –; doi:10.1021/cm050558b

data_4000602
_publ_section_title
;
'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl
 Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and
 Monoradicals: Molecular Spin Clusters in the Crystal'
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050558b
_journal_year                    2005
_chemical_formula_moiety         'C34 H43 N6 O8 '
_chemical_formula_sum            'C34 H43 N6 O8'
_chemical_formula_weight         663.75
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                62.95(5)
_cell_angle_beta                 67.76(5)
_cell_angle_gamma                70.49(5)
_cell_formula_units_Z            2
_cell_length_a                   11.773(3)
_cell_length_b                   12.173(3)
_cell_length_c                   14.493(2)
_cell_measurement_temperature    105.1
_cell_volume                     1678.9(6)
_exptl_crystal_density_diffrn    1.313
_cod_original_formula_sum        'C34 H43 N6 O8 '
_cod_database_code               4000602