LMucko/crystallography-open-database huggingface dataset:
Crystal structure of (1S,3S,6S,7S,8S,9R)-7-acetoxy-9-hydroxy-6-(4- methoxybenzyl)-3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo [6.3.1.0^1.5^]dodecan-4-one, C~29~H~36~N~2~O~7~S
Ousmer, Malika; Braun, Norbert A.; Ciufolini, Marco A.; Perrin, Monique; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 597–599; doi:

data_8101366
_publ_section_title
;
Crystal structure of (1S,3S,6S,7S,8S,9R)-7-acetoxy-9-hydroxy-6-(4-
methoxybenzyl)-3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo
[6.3.1.0^1.5^]dodecan-4-one, C~29~H~36~N~2~O~7~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              597
_journal_page_last               599
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C29 H36 N2 O7 S1'
_chemical_formula_sum            'C29 H36 N2 O7 S'
_chemical_formula_weight         556.66
_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                90.00
_cell_angle_beta                 106.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3672(19)
_cell_length_b                   31.897(6)
_cell_length_c                   10.105(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2895.9(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.277
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C29 H36 N2 O7 S1'
_cod_database_code               8101366
Crystal structure of di-μ~2~-chlorobis[bis(di-tert-butylphosphino)- methane]diiridium, C~34~H~76~Cl~2~Ir~2~P~4~ and of di-μ~2~-iodobis [bis(di-tert-butylphosphino)methane]diiridium, C~34~H~76~I~2~Ir~2~P~4~, two halide-bridged iridium dimers
Hofmann, Peter; Meier, Claudia; Maier, Alfons; Steck, Oliver; Sporys, Volker; Rominger, Frank; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 609–614; doi:

data_8101367
_publ_section_title
;
Crystal structure of di-\m~2~-chlorobis[bis(di-tert-butylphosphino)-
methane]diiridium, C~34~H~76~Cl~2~Ir~2~P~4~ and of di-\m~2~-iodobis
[bis(di-tert-butylphosphino)methane]diiridium, C~34~H~76~I~2~Ir~2~P~4~, 
two halide-bridged iridium dimers
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              609
_journal_page_last               614
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C34 H76 Cl2 Ir2 P4'
_chemical_formula_weight         1064.13
_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                 113.1180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.8061(3)
_cell_length_b                   13.0107(2)
_cell_length_c                   21.4000(3)
_cell_measurement_temperature    200(2)
_cell_volume                     4303.55(12)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.642
_refine_ls_R_factor_obs          0.0529
_refine_ls_wR_factor_obs         0.1395
_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               8101367
Crystal structure of di-μ~2~-chlorobis[bis(di-tert-butylphosphino)- methane]diiridium, C~34~H~76~Cl~2~Ir~2~P~4~ and of di-μ~2~-iodobis [bis(di-tert-butylphosphino)methane]diiridium, C~34~H~76~I~2~Ir~2~P~4~, two halide-bridged iridium dimers
Hofmann, Peter; Meier, Claudia; Maier, Alfons; Steck, Oliver; Sporys, Volker; Rominger, Frank; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 609–614; doi:

data_8101368
_publ_section_title
;
Crystal structure of di-\m~2~-chlorobis[bis(di-tert-butylphosphino)-
methane]diiridium, C~34~H~76~Cl~2~Ir~2~P~4~ and of di-\m~2~-iodobis
[bis(di-tert-butylphosphino)methane]diiridium, C~34~H~76~I~2~Ir~2~P~4~, 
two halide-bridged iridium dimers
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              609
_journal_page_last               614
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C34 H76 I2 Ir2 P4'
_chemical_formula_weight         1247.03
_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                 107.0840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.8048(3)
_cell_length_b                   15.9520(3)
_cell_length_c                   24.1559(5)
_cell_measurement_temperature    200(2)
_cell_volume                     8768.1(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.889
_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/n'
_cod_database_code               8101368
Crystal structure of methyl 4aR*,4bR*,8aS*,9R*-1-cyano-4b-hydroxy- 2,4a,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-9-carboxylate, C~17~H~21~NO~3~
Dinesh, C. U.; Reißig, H.-U.; Rademacher, O.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 615–616; doi:

data_8101369
_publ_section_title
;
Crystal structure of methyl 4aR*,4bR*,8aS*,9R*-1-cyano-4b-hydroxy-
2,4a,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-9-carboxylate, C~17~H~21~NO~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              615
_journal_page_last               616
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C17 H21 N O3'
_chemical_formula_weight         287.35
_chemical_melting_point          425.0(10)
_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                 113.150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0840(10)
_cell_length_b                   13.767(2)
_cell_length_c                   11.783(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1504.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.269
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '424 - 426' was changed to
'425.0(10)' - 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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101369
Crystal structure of 3-(p-chlorophenyl)-5-methyl-2-(8-quinolinyl)- 4-thiazolidinone, C~19~H~16~ClN~2~OS
Öztürk, S.; Aygün, M.; Öcal, N.; Yolaçan, Ç.; Fun, H.-K.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 526–528; doi:

data_8101370
_publ_section_title
;
Crystal structure of 3-(p-chlorophenyl)-5-methyl-2-(8-quinolinyl)-
4-thiazolidinone, C~19~H~16~ClN~2~OS
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              526
_journal_page_last               528
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C19 H16 Cl1 N2 O S'
_chemical_formula_structural     'C19 H16 Cl1 N2 O S'
_chemical_formula_sum            'C19 H16 Cl N2 O S'
_chemical_formula_weight         355.85
_chemical_name_common
;
3-(p-Chlorophenyl)-5-methyl-2-(8-quinolinyl)-4-thiazolidinone
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.1248(1)
_cell_length_b                   19.1264(2)
_cell_length_c                   21.7702(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3383.1(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.397
_cod_original_formula_sum        'C19 H16 Cl1 N2 O S'
_cod_database_code               8101370
Crystal structure of crystal structure of tetrakis(thiourea)cadmium tetrakis(thiocyanato)zincate, [Cd(NH~2~CSNH~2~)~4~][Zn(SCN)~4~]
Jiang, Xue Ning; Yu, Wen Tao; Xu, Dong; Yuan, Duo Rong; Lu, Meng Kai; Guo, Shi Yi; Meng, Fan Qing; Zhang, Guang Hui; Wang, Xin Qiang; Jiang, Min Hua; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 501–502; doi:

data_8101371
_publ_section_title
;
Crystal structure of crystal structure of tetrakis(thiourea)cadmium 
tetrakis(thiocyanato)zincate, [Cd(NH~2~CSNH~2~)~4~][Zn(SCN)~4~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              501
_journal_page_last               502
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         '[C4N4S4Zn]2- [C4H16N8S4Cd]2+'
_chemical_formula_structural     '[C4 N4 S4 Zn] [C4 H16 N8 S4 Cd]'
_chemical_formula_sum            'C8 H16 Cd N12 S8 Zn'
_chemical_formula_weight         714.69
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.2576(16)
_cell_length_b                   17.2576(16)
_cell_length_c                   4.2647(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1270.1(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.868
_refine_ls_R_factor_obs          0.0688
_refine_ls_wR_factor_obs         0.1782
_cod_original_formula_sum        'C8 H16 Cd N12 S8 Zn '
_cod_database_code               8101371
Crystal structure of bis[(μ-O,O'-diisopropylsalicylato)(2,2'-bipyridyl) copper(II)]‒bis(diisopropylsalicylic acid), C~72~H~84~Cu~2~N~4~O~12~
Lemoine, Pascale; Mazurier, Alain; Billy, Isabelle; Nguyen-Huy, Dung; Viossat, Bernard; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 523–525; doi:

data_8101372
_publ_section_title
;
Crystal structure of bis[(\m-O,O'-diisopropylsalicylato)(2,2'-bipyridyl)
copper(II)]--bis(diisopropylsalicylic acid), C~72~H~84~Cu~2~N~4~O~12~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              523
_journal_page_last               525
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C72 H84 Cu2 N4 O12'
_chemical_formula_weight         1324.52
_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                99.95(1)
_cell_angle_beta                 93.57(1)
_cell_angle_gamma                105.07(1)
_cell_formula_units_Z            1
_cell_length_a                   10.197(1)
_cell_length_b                   11.819(4)
_cell_length_c                   14.786(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1684.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_meas      1.28(2)
_cod_database_code               8101372
Crystal structure of 1-(6-phenylcyclohex-3-enyl)-1-phenylmethanone, C~19~H~18~O
Kakou-Yao, R.; Aycard, J.P.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 567–568; doi:

data_8101373
_publ_section_title
;
Crystal structure of 1-(6-phenylcyclohex-3-enyl)-1-phenylmethanone, 
C~19~H~18~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              567
_journal_page_last               568
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C19 H18 O '
_chemical_formula_sum            'C19 H18 O'
_chemical_formula_weight         262.352
_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                90.000(10)
_cell_angle_beta                 154.651(6)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   10.3630(10)
_cell_length_b                   25.4150(10)
_cell_length_c                   12.9410(10)
_cell_measurement_temperature    298
_cell_volume                     1459.2(2)
_exptl_crystal_density_diffrn    1.194
_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_original_formula_sum        'C19 H18 O '
_cod_database_code               8101373
Crystal structure of (6-phenylcyclohex-3-enyl)methanol, C~13~H~16~O
Kakou-Yao, R.; Aycard, J. P.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 569–570; doi:

data_8101374
_publ_section_title
;
Crystal structure of (6-phenylcyclohex-3-enyl)methanol, C~13~H~16~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              569
_journal_page_last               570
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C13 H16 O '
_chemical_formula_sum            'C13 H16 O'
_chemical_formula_weight         188.270
_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                90.00(1)
_cell_angle_beta                 106.21(1)
_cell_angle_gamma                90.00(1)
_cell_formula_units_Z            4
_cell_length_a                   7.104(1)
_cell_length_b                   28.784(1)
_cell_length_c                   5.444(1)
_cell_measurement_temperature    298
_cell_volume                     1068.9(3)
_exptl_crystal_density_diffrn    1.170
_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 c'
_cod_original_formula_sum        'C13 H16 O '
_cod_database_code               8101374
Crystal structure of 2-amino-3-nitro-pyridinium dihydrogenmonophosphate, C~5~H~8~N~3~O~6~P
Akriche, Samah; Rzaigui, Mohamed; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 617–618; doi:

data_8101375
_publ_section_title
;
Crystal structure of 2-amino-3-nitro-pyridinium dihydrogenmonophosphate, 
C~5~H~8~N~3~O~6~P
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              617
_journal_page_last               618
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         '(C5 H6 N3 O2) H2 P O4'
_chemical_formula_sum            'C5 H8 N3 O6 P'
_chemical_formula_weight         237.11
_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(3)
_cell_angle_beta                 100.36(5)
_cell_angle_gamma                90.00(2)
_cell_formula_units_Z            4
_cell_length_a                   9.710(3)
_cell_length_b                   9.254(1)
_cell_length_c                   10.373(6)
_cell_measurement_temperature    296.2
_cell_volume                     916.9(5)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.717
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C5 H8 N3 O6 P '
_cod_database_code               8101375
Crystal structure of 2,2'-bipyrimidine-bis(acetonitrile)-palladium (II) bis(tetrafluroborate)–acetontrile (1/1), C~14~H~15~B~2~F~8~N~7~Pd
Magna, Lionel; Niccolai, Gerald P.; Chauvin, Yves; Basset, Jean-Marie; Perrin, Monique; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 595–596; doi:

data_8101376
_publ_section_title
;
Crystal structure of 2,2'-bipyrimidine-bis(acetonitrile)-palladium
(II) bis(tetrafluroborate)--acetontrile (1/1), C~14~H~15~B~2~F~8~N~7~Pd
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              595
_journal_page_last               596
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Pd (C8H6N4) (CH3 CN)2 (BF4)2 (CH3 CN)'
_chemical_formula_structural     '(C8 H6 N4) Pd (C H3 C N)2 (B F4)2 . C H3 C N'
_chemical_formula_sum            'C14 H15 B2 F8 N7 Pd'
_chemical_formula_weight         561.35
_chemical_melting_point          478
_chemical_name_common
;
2,2'-bipyrimidine-bis(acetonitrile)-palladium(II) bis(tetrafluroborate)--
acetontrile (1/1)
;
_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                 90.19(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0120(16)
_cell_length_b                   21.785(4)
_cell_length_c                   12.449(3)
_cell_measurement_temperature    223(2)
_cell_volume                     2172.9(8)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.716
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101376
Crystal structure of 1,4-diazabicyclo[2.2.2]octane hexafluorotitanium hydrate, (C~6~H~14~N~2~)[TiF~6~] · H~2~O
Dadachov, Mike S.; Tang, Liqiu; Zou, Xiaodong; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 607–608; doi:

data_8101377
_publ_section_title
;
Crystal structure of 1,4-diazabicyclo[2.2.2]octane hexafluorotitanium 
hydrate, (C~6~H~14~N~2~)[TiF~6~] &#x00B7; H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              607
_journal_page_last               608
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '(C6 H14 N2)[Ti F6] ^.^ H2 O'
_chemical_formula_sum            'C3 H8 F3 N O0.5 Ti0.5'
_chemical_formula_weight         147.05
_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                82.338(5)
_cell_angle_beta                 88.420(5)
_cell_angle_gamma                62.200(5)
_cell_formula_units_Z            2
_cell_length_a                   6.826(5)
_cell_length_b                   6.928(5)
_cell_length_c                   13.315(5)
_cell_measurement_temperature    293(2)
_cell_volume                     551.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    0.885
_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.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C3 H8 F3 N O0.50 Ti0.50'
_cod_database_code               8101377
Crystal structure of diaquacadmium succinate, Cd(H~2~O)~2~C~4~H~4~O~4~
Fleck, Michel; Tillmanns, Ekkehart; Bohaty, Ladislav; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 619–620; doi:

data_8101378
_publ_section_title
;
Crystal structure of diaquacadmium succinate, Cd(H~2~O)~2~C~4~H~4~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              619
_journal_page_last               620
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Cd 2+, C4 H4 O4 2-, 2(H2 O)'
_chemical_formula_structural     'Cd (H2 O)2 C4 H4 O4'
_chemical_formula_sum            'C4 H8 Cd O6'
_chemical_formula_weight         264.50
_chemical_name_common            'Diaquacadmium succinate'
_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                 111.3950(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.1230(2)
_cell_length_b                   15.1390(4)
_cell_length_c                   7.1850(2)
_cell_measurement_temperature    293(2)
_cell_volume                     721.40(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.435
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101378