LMucko/crystallography-open-database huggingface dataset:
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303937
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'N O2 Pr Zr'
_chemical_formula_weight         278.14
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.84409(21)
_cell_length_b                   8.18090(26)
_cell_length_c                   5.73356(19)
_cell_volume                     274.121(16)
_pd_block_id                     2009-10-13T17:50|PR-HP1-L_phase1|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Pr-HP1-L/LaZrNO2-PNMA.cif'
_cod_data_source_file            ic902020r_si_001_1_ph1.cif
_cod_data_source_block           PR-HP1-L_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/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (156
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (178 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'N1.00 O2.00 Pr Zr'
_cod_database_code               4303937
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303938
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'O7 Pr2 Zr2'
_chemical_formula_weight         576.25
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   10.70988(19)
_cell_length_b                   10.70988
_cell_length_c                   10.70988
_cell_volume                     1228.44(2)
_pd_block_id                     2009-10-13T17:50|PR-HP1-L_phase2|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Pr-HP1-L/Nd2O7Zr2-FD3MZ.cif'
_cod_data_source_file            ic902020r_si_001_1_ph2.cif
_cod_data_source_block           PR-HP1-L_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (40
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (35 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1228.44(7)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4303938
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303939
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'N Zr'
_chemical_formula_weight         105.23
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.55929(13)
_cell_length_b                   4.55929
_cell_length_c                   4.55929
_cell_volume                     94.775(3)
_pd_block_id                     2009-10-13T17:50|PR-HP1-L_phase3|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Pr-HP1-L/ZrN-FM3-M.cif'
_cod_data_source_file            ic902020r_si_001_1_ph3.cif
_cod_data_source_block           PR-HP1-L_phase_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (24
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (30 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        94.774(8)
_cod_database_code               4303939
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303940
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'N Nd O2 Zr'
_chemical_formula_weight         281.47
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.85373(14)
_cell_length_b                   8.17071(19)
_cell_length_c                   5.70934(12)
_cell_volume                     273.073(11)
_pd_block_id                     2009-10-13T17:52|ND-HP8-L_phase1|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Nd-HP8-L/LaZrNO2-PNMA.cif'
_cod_data_source_file            ic902020r_si_001_2_ph1.cif
_cod_data_source_block           ND-HP8-L_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/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (168
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (154 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        273.073(13)
_cod_original_formula_sum        'N1.00 Nd O2.00 Zr'
_cod_database_code               4303940
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303941
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'Nd2 O7 Zr2'
_chemical_formula_weight         582.91
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   10.69691(20)
_cell_length_b                   10.69691
_cell_length_c                   10.69691
_cell_volume                     1223.98(2)
_pd_block_id                     2009-10-13T17:52|ND-HP8-L_phase2|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Nd-HP8-L/Nd2O7Zr2-FD3MZ.cif'
_cod_data_source_file            ic902020r_si_001_2_ph2.cif
_cod_data_source_block           ND-HP8-L_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (40
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (35 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1223.98(7)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4303941
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303942
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'N Zr'
_chemical_formula_weight         105.23
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.5627(4)
_cell_length_b                   4.5627
_cell_length_c                   4.5627
_cell_volume                     94.987(8)
_pd_block_id                     2009-10-13T17:52|ND-HP8-L_phase3|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Nd-HP8-L/ZrN-FM3-M.cif'
_cod_data_source_file            ic902020r_si_001_2_ph3.cif
_cod_data_source_block           ND-HP8-L_phase_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (24
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (30 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        94.989(24)
_cod_database_code               4303942
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303943
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'N O2 Sm Zr'
_chemical_formula_weight         287.63
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.84234(24)
_cell_length_b                   8.12817(32)
_cell_length_c                   5.66218(19)
_cell_volume                     268.883(18)
_pd_block_id                     2009-10-13T05:31|SM-HP7-L_phase1|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Sm-HP7-L/LaZrNO2-PNMA.cif'
_cod_data_source_file            ic902020r_si_001_3_ph1.cif
_cod_data_source_block           SM-HP7-L_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/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (174
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (206 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        268.883(17)
_cod_original_formula_sum        'N1.00 O2.00 Sm Zr'
_cod_database_code               4303943
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303944
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'O7 Sm2 Zr2'
_chemical_formula_weight         595.23
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   10.57747(28)
_cell_length_b                   10.57747
_cell_length_c                   10.57747
_cell_volume                     1183.44(3)
_pd_block_id                     2009-10-13T05:31|SM-HP7-L_phase2|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Sm-HP7-L/Nd2O7Zr2-FD3MZ.cif'
_cod_data_source_file            ic902020r_si_001_3_ph2.cif
_cod_data_source_block           SM-HP7-L_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (40
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (35 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1183.44(9)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4303944
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
Minghui Yang; Jennifer A. Rodgers; Lawrence C. Middler; Judith Oró-Solé; A. Belén Jorge; Amparo Fuertes; J. Paul Attfield; Inorganic Chemistry 48 (2009) 11498–11500; doi:10.1021/ic902020r

data_4303945
_publ_section_title
;
Direct Solid-State Synthesis at High Pressures of New Mixed-Metal
Oxynitrides: RZrO2N (R = Pr, Nd, and Sm)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11498
_journal_page_last               11500
_journal_paper_doi               10.1021/ic902020r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'N Zr'
_chemical_formula_weight         105.23
_chemical_name_systematic        ' ?'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.56847(16)
_cell_length_b                   4.56847
_cell_length_c                   4.56847
_cell_volume                     95.348(3)
_pd_block_id                     2009-10-13T05:31|SM-HP7-L_phase3|Minghui_Yang||
_pd_phase_name
'from C:/gsas/MyWork/longruns/Sm-HP7-L/ZrN-FM3-M.cif'
_cod_data_source_file            ic902020r_si_001_3_ph3.cif
_cod_data_source_block           SM-HP7-L_phase_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (24
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (30 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        95.348(10)
_cod_database_code               4303945
L-Isoleucine, Redetermination at 120 K
Görbitz, Carl Henrik; Dalhus, Bjørn; Acta Crystallographica Section C 52 (1996) 1464–1466; doi:10.1107/S0108270195016386

data_5000000
_publ_section_title
;
 L-Isoleucine, Redetermination at 120 K
;
_journal_coeditor_code           HA1156
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1464
_journal_page_last               1466
_journal_paper_doi               10.1107/S0108270195016386
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C6 H13 N O2'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.16(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.681(5)
_cell_length_b                   5.301(3)
_cell_length_c                   13.956(6)
_cod_duplicate_entry             2004998
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C6 H13 N1 O2'
_cod_database_code               5000000
Crystal Structure of L-Tyrosine
Mostad, Arvid; Nissen, Hans Martin; Rømming, Christian; Acta Chemica Scandinavica 26 (1972) 3819–3833; doi:10.3891/acta.chem.scand.26-3819

data_5000001
_publ_section_title
;
 Crystal Structure of L-Tyrosine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              3819
_journal_page_last               3833
_journal_paper_doi               10.3891/acta.chem.scand.26-3819
_journal_volume                  26
_journal_year                    1972
_chemical_formula_sum            'C9 H11 N O3'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.913(5)
_cell_length_b                   21.116(3)
_cell_length_c                   5.829(4)
_cod_original_formula_sum        'C9 H11 N1 O3'
_cod_database_code               5000001
Koetzle, T. F.; Nabakhtiani, G. N.; Furmanova, N. G.; Chachkhiani, L. G.; Kristallografiya 37 (1992) 1185–; doi:

data_5000002
_journal_name_full               Kristallografiya
_journal_page_first              1185
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'C6 H17 Br N4 O3'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.64(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.213(2)
_cell_length_b                   8.630(3)
_cell_length_c                   11.243(9)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C6 H17 Br1 N4 O3'
_cod_database_code               5000002