LMucko/crystallography-open-database huggingface dataset:
Crystal structure of diformato-bis(1,10-phenanthroline-N,N')manganese (II) pentahydrate, [Mn(C~12~H~8~N~2~)~2~(HCOO)~2~] · 5H~2~O
Xu, Wei; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 233–234; doi:

data_8100113
_publ_section_title
;
Crystal structure of diformato-bis(1,10-phenanthroline-N,N')manganese
(II) pentahydrate, [Mn(C~12~H~8~N~2~)~2~(HCOO)~2~] &#x00B7; 5H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              233
_journal_page_last               234
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C26 H28 Mn N4 O9'
_chemical_formula_weight         595.46
_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                 105.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.654(2)
_cell_length_b                   25.934(5)
_cell_length_c                   10.194(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2719.0(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.455
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100113
Crystal structure of 3-chloro-6-ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone, C~13~H~11~ClO~4~
Peters, K.; Peters, E.-M.; Klein, I.; Spitzner, D.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 241–242; doi:

data_8100114
_publ_section_title
;
Crystal structure of 3-chloro-6-ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone, 
C~13~H~11~ClO~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              241
_journal_page_last               242
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         (C10H2)(C3O4Cl)
_chemical_formula_sum            'C13 H11 Cl O4'
_chemical_formula_weight         266.67
_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                 91.870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.322(2)
_cell_length_b                   5.255(1)
_cell_length_c                   19.718(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1172.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.511
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100114
Crystal structure of molybdenum and tungsten trans-bis-(dinitrogen)-bis {bis(di(p-ethylbenzene)phosphino)ethane} toluene solvate, M(C~34~H~40~P~2~)~2~(N~2~)~2~ · C~7~H~8~ (M = Mo, W)
Zeller, Matthias; Hunter, Allen D.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 249–254; doi:

data_8100115
_publ_section_title
;
Crystal structure of molybdenum and tungsten trans-bis-(dinitrogen)-bis
{bis(di(p-ethylbenzene)phosphino)ethane} toluene solvate, 
M(C~34~H~40~P~2~)~2~(N~2~)~2~ &#x00B7; C~7~H~8~ (M = Mo, W)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              249
_journal_page_last               254
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C75 H88 Mo N4 P4'
_chemical_formula_weight         1265.31
_chemical_name_common
;
trans-Bis(dinitrogen)bis{bis(di(p-ethylbenzene)phosphino)ethane}molybdenum
;
_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                83.9940(10)
_cell_angle_beta                 87.3900(10)
_cell_angle_gamma                85.3530(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9074(5)
_cell_length_b                   13.2327(7)
_cell_length_c                   25.1210(13)
_cell_measurement_temperature    100(2)
_cell_volume                     3262.3(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.288
_cod_database_code               8100115
Crystal structure of molybdenum and tungsten trans-bis-(dinitrogen)-bis {bis(di(p-ethylbenzene)phosphino)ethane} toluene solvate, M(C~34~H~40~P~2~)~2~(N~2~)~2~ · C~7~H~8~ (M = Mo, W)
Zeller, Matthias; Hunter, Allen D.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 249–254; doi:

data_8100116
_publ_section_title
;
Crystal structure of molybdenum and tungsten trans-bis-(dinitrogen)-bis
{bis(di(p-ethylbenzene)phosphino)ethane} toluene solvate, 
M(C~34~H~40~P~2~)~2~(N~2~)~2~ &#x00B7; C~7~H~8~ (M = Mo, W)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              249
_journal_page_last               254
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety
;
C68 H80 N4 P4 W, 0.5(C7 H8), 0.5(C7 H8)
;
_chemical_formula_sum            'C75 H88 N4 P4 W'
_chemical_formula_weight         1353.22
_chemical_name_common
;
trans-Bis(dinitrogen)bis{bis(di(p-ethylbenzene)phosphino)ethane}tungsten
;
_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                84.063(5)
_cell_angle_beta                 87.612(5)
_cell_angle_gamma                85.569(5)
_cell_formula_units_Z            2
_cell_length_a                   9.881(3)
_cell_length_b                   13.224(4)
_cell_length_c                   25.146(7)
_cell_measurement_temperature    100(2)
_cell_volume                     3256.5(16)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.380
_cod_database_code               8100116
Crystal structure of 1-(2-furyl)-3-(p-methoxyphenyl)-1,3-propanedione, C~14~H~12~O~4~, the enol form
Li, Xia; Zou, Ying-Quan; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 281–282; doi:

data_8100117
_publ_section_title
;
Crystal structure of 1-(2-furyl)-3-(p-methoxyphenyl)-1,3-propanedione, 
C~14~H~12~O~4~, the enol form
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              281
_journal_page_last               282
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C14 H12 O4'
_chemical_formula_sum            'C14 H12 O4'
_chemical_formula_weight         244.24
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.871(3)
_cell_length_b                   7.564(2)
_cell_length_c                   29.083(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2391.6(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.357
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               8100117
Crystal structure of bis(benzyltriethylammonium) hexachlorotellurate (IV), [C~7~H~7~(C~2~H~5~)~3~N]~2~(TeCl~6~)
Caracelli, Ignez; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 273–274; doi:

data_8100118
_publ_section_title
;
Crystal structure of bis(benzyltriethylammonium) hexachlorotellurate
(IV), [C~7~H~7~(C~2~H~5~)~3~N]~2~(TeCl~6~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              273
_journal_page_last               274
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     'C13 H22 Cl3 N Te0.5'
_chemical_formula_sum            'C26 H44 Cl6 N2 Te'
_chemical_formula_weight         724.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.335(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3981(5)
_cell_length_b                   14.606(1)
_cell_length_c                   12.4524(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1622.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.484
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100118
Crystal structure of bis[(μ-4-nitrophenolato)(nitrato)-(1,10-phenanthroline) lead(II)], [Pb(OC~6~H~4~NO~2~)(C~12~H~8~N~2~)(NO~3~)]~2~
Zhu, Nan-Wen; An, Ping; Wang, Xin-Ze; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 271–272; doi:

data_8100119
_publ_section_title
;
Crystal structure of bis[(\m-4-nitrophenolato)(nitrato)-(1,10-phenanthroline)
lead(II)], [Pb(OC~6~H~4~NO~2~)(C~12~H~8~N~2~)(NO~3~)]~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              271
_journal_page_last               272
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C36 H24 N8 O12 Pb2'
_chemical_formula_sum            'C36 H24 N8 O12 Pb2'
_chemical_formula_weight         1175.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                97.154(5)
_cell_angle_beta                 106.891(4)
_cell_angle_gamma                109.874(4)
_cell_formula_units_Z            1
_cell_length_a                   8.624(3)
_cell_length_b                   10.424(3)
_cell_length_c                   11.295(4)
_cell_measurement_temperature    298(2)
_cell_volume                     885.2(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.204
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07

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               8100119
Crystal structure of diethyl rel-(3aS,4aS,7aR,7bR)-4,4a,7a,7b-tetrahydro- 3aH-cyclopenta-[1,2-d:4,3-d']-diisoxazole-3,5-dicarboxylate, C~13~H~16~N~2~O~6~
Frey, Wolfgang; Lee, Ja Young; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 287–288; doi:

data_8100120
_publ_section_title
;
Crystal structure of diethyl rel-(3aS,4aS,7aR,7bR)-4,4a,7a,7b-tetrahydro-
3aH-cyclopenta-[1,2-d:4,3-d']-diisoxazole-3,5-dicarboxylate, C~13~H~16~N~2~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              287
_journal_page_last               288
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C13 H16 N2 O6'
_chemical_formula_weight         296.28
_chemical_temperature_decomposition 372.5(5)
_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                69.581(10)
_cell_angle_beta                 79.794(11)
_cell_angle_gamma                65.485(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3495(11)
_cell_length_b                   9.2578(12)
_cell_length_c                   10.9325(15)
_cell_measurement_temperature    293(2)
_cell_volume                     720.05(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.367
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '372-373 K (dec.)'. The value was changed to '372.5(5)' - the
average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100120
Crystal structure of diethyl rel-(3aR,3bR,6aS,7aR)-3b,6a,7,7a-tetrahydro- 3aH-cyclopenta-[1,2-d:3,4-d']-diisoxazole-3,6-dicarboxylate, C~13~H~16~N~2~O~6~
Frey, Wolfgang; Lee, Ja Young; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 289–290; doi:

data_8100121
_publ_section_title
;
Crystal structure of diethyl rel-(3aR,3bR,6aS,7aR)-3b,6a,7,7a-tetrahydro-
3aH-cyclopenta-[1,2-d:3,4-d']-diisoxazole-3,6-dicarboxylate, C~13~H~16~N~2~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              289
_journal_page_last               290
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C13 H16 N2 O6'
_chemical_formula_weight         296.28
_chemical_temperature_decomposition 374.5(5)
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.8365(6)
_cell_length_b                   12.0017(5)
_cell_length_c                   23.9197(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2823.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.394
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '374-375 K (dec.)'. The value was changed to '374.5(5)' - the
average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100121
Crystal structure of 3-[(triphenylphosphoranyliden)-amino]-2-quinoxylamine, (C~6~H~5~)~3~P(C~8~H~6~N~4~)
Bozopoulos, Anastasios; Kavounis, Constantin A.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 269–270; doi:

data_8100122
_publ_section_title
;
Crystal structure of 3-[(triphenylphosphoranyliden)-amino]-2-quinoxylamine, 
(C~6~H~5~)~3~P(C~8~H~6~N~4~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              269
_journal_page_last               270
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C26 H21 N4 P'
_chemical_formula_weight         420.44
_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                68.016(5)
_cell_angle_beta                 88.889(6)
_cell_angle_gamma                67.369(5)
_cell_formula_units_Z            2
_cell_length_a                   9.5272(10)
_cell_length_b                   9.9669(10)
_cell_length_c                   13.333(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1072.1(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.302
_cod_database_code               8100122
Crystal structure of 1,2-bis(2-methylthien-3-yl)perfluorocyclopentene, C~15~H~10~F~6~S~2~
Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Tung, Chen-Ho; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 293–294; doi:

data_8100123
_publ_section_title
;
Crystal structure of 1,2-bis(2-methylthien-3-yl)perfluorocyclopentene, 
C~15~H~10~F~6~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              293
_journal_page_last               294
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C15 H10 F6 S2'
_chemical_formula_sum            'C15 H10 F6 S2'
_chemical_formula_weight         368.35
_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                75.052(10)
_cell_angle_beta                 67.313(10)
_cell_angle_gamma                65.656(10)
_cell_formula_units_Z            2
_cell_length_a                   8.7095(14)
_cell_length_b                   9.7487(17)
_cell_length_c                   11.1970(18)
_cell_measurement_temperature    293(2)
_cell_volume                     793.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.541
_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               8100123
Crystal structure of ent-(16R,17R)-17-hydroxy-17-methoxykauran-19- oic acid, C~21~H~34~O~4~
Nascimento, M. C. B. S.; Santos, G. L.; Malta, V. R. S.; De Simone, C. A.; Pereira, M. A.; Conserva, L. M.; Anselmo, A. M.; Braz-Filho, R.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 285–286; doi:

data_8100124
_publ_section_title
;
Crystal structure of ent-(16R,17R)-17-hydroxy-17-methoxykauran-19-
oic acid, C~21~H~34~O~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              285
_journal_page_last               286
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C21 H34 O4'
_chemical_formula_sum            'C21 H34 O4'
_chemical_formula_weight         329.40
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4324(2)
_cell_length_b                   10.7639(2)
_cell_length_c                   21.1593(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1920.53(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.285
_cod_database_code               8100124
Crystal structure of 2-amino-4-methylpyridinium dihydrogenphosphate, (C~6~H~9~N~2~)H~2~PO~4~
Kaabi, Kamel; Khedhiri, Lamia; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 255–256; doi:

data_8100125
_publ_section_title
;
Crystal structure of 2-amino-4-methylpyridinium dihydrogenphosphate, 
(C~6~H~9~N~2~)H~2~PO~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              255
_journal_page_last               256
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C6 H9 N2 +, H2 O4 P -'
_chemical_formula_sum            'C6 H11 N2 O4 P'
_chemical_formula_weight         206.14
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   12.102(5)
_cell_length_b                   6.695(4)
_cell_length_c                   11.306(2)
_cell_measurement_temperature    296
_cell_volume                     916.1(6)
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    1.364
_cod_database_code               8100125
Crystal structure of trans-dichloro-bis(phenyl-2,4,6-trimethylbenzylselenido) palladium(II), Pd(C~16~H~18~Se)~2~Cl~2~
Yao, Qingwei; Kinney, Elizabeth P.; Zheng, Chong; Li, S.-J.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 295–296; doi:

data_8100126
_publ_section_title
;
Crystal structure of trans-dichloro-bis(phenyl-2,4,6-trimethylbenzylselenido)
palladium(II), Pd(C~16~H~18~Se)~2~Cl~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              295
_journal_page_last               296
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C32 H36 Cl2 Pd Se2'
_chemical_formula_weight         755.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.899(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4587(19)
_cell_length_b                   12.519(3)
_cell_length_c                   13.077(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1547.6(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.622
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100126
Crystal structure of 4-acetoxy-5-(amino-N-phthalimido)-2-tert-butyl- 5-methyl-1,3-dioxane, C~19~H~24~N~2~O~6~
Flock, Susanne; Sippel, Heike; Frauenrath, Herbert; Müller, Ulrich; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 283–284; doi:

data_8100128
_publ_section_title
;
Crystal structure of 4-acetoxy-5-(amino-N-phthalimido)-2-tert-butyl-
5-methyl-1,3-dioxane, C~19~H~24~N~2~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              283
_journal_page_last               284
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C19 H24 N2 O6'
_chemical_formula_weight         376.40
_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                95.81(1)
_cell_angle_beta                 96.60(2)
_cell_angle_gamma                100.10(1)
_cell_formula_units_Z            2
_cell_length_a                   5.922(1)
_cell_length_b                   8.336(1)
_cell_length_c                   19.864(2)
_cell_measurement_temperature    193(2)
_cell_volume                     951.6(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.314
_cod_database_code               8100128