LMucko/crystallography-open-database huggingface dataset:
Crystal structure of tetra[(methoxycarbonyl)methoxy]-p-tert-butylthiacalix [4]arene, C~52~H~64~O~12~S~4~
Thuéry, Pierre; Nierlich, Martine; Hall, Annegret K.; Harrowfield, Jack M.; Asfari, Zouhair; Vicens, Jacques; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 493–495; doi:

data_8101325
_publ_section_title
;
Crystal structure of tetra[(methoxycarbonyl)methoxy]-p-tert-butylthiacalix
[4]arene, C~52~H~64~O~12~S~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              493
_journal_page_last               495
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C52 H64 O12 S4'
_chemical_formula_weight         1009.27
_chemical_melting_point          398.5(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                77.005(2)
_cell_angle_beta                 85.8330(10)
_cell_angle_gamma                65.372(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9539(4)
_cell_length_b                   14.0875(3)
_cell_length_c                   18.2336(7)
_cell_measurement_temperature    273(2)
_cell_volume                     2718.98(15)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.233
_refine_ls_R_factor_obs          0.0722
_refine_ls_wR_factor_obs         0.1877
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '398-399' was changed to '398.5(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               8101325
Crystal structure of (2S*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy- 5-methyl-1,3-dioxane, C~10~H~20~O~4~
Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 503–504; doi:

data_8101326
_publ_section_title
;
Crystal structure of (2S*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy-
5-methyl-1,3-dioxane, C~10~H~20~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              503
_journal_page_last               504
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C10 H20 O4'
_chemical_formula_weight         204.27
_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                   5.822(1)
_cell_length_b                   6.375(2)
_cell_length_c                   29.932(7)
_cell_measurement_temperature    193(2)
_cell_volume                     1110.9(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.221
_cod_database_code               8101326
Crystal structure of (2R*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy- 5-methyl-1,3-dioxane, C~10~H~20~O~4~
Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 505–506; doi:

data_8101327
_publ_section_title
;
Crystal structure of (2R*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy-
5-methyl-1,3-dioxane, C~10~H~20~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              505
_journal_page_last               506
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C10 H20 O4'
_chemical_formula_weight         204.27
_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                   9.804(2)
_cell_length_b                   9.898(2)
_cell_length_c                   12.358(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1199.2(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.131
_cod_database_code               8101327
Crystal structure of (2S,4S,5S)-3-chlorobenzoic acid 2-tert-butyl- 5-hydroxy-5-methyl-1,3-dioxan-4-yl ester, C~16~H~21~ClO~5~
Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 507–508; doi:

data_8101328
_publ_section_title
;
Crystal structure of (2S,4S,5S)-3-chlorobenzoic acid 2-tert-butyl-
5-hydroxy-5-methyl-1,3-dioxan-4-yl ester, C~16~H~21~ClO~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              507
_journal_page_last               508
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C16 H21 Cl O5'
_chemical_formula_weight         328.79
_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                 100.50(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.986(1)
_cell_length_b                   24.551(1)
_cell_length_c                   11.574(1)
_cell_measurement_temperature    297(2)
_cell_volume                     1672.5(3)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.306
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101328
Crystal structure of (1'S)-camphanic acid (2S,4S)-2-tert-butyl-4-methyl- 1,3-dioxolan-4-ylmethyl ester, C~19~H~30~O~6~
Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 509–510; doi:

data_8101329
_publ_section_title
;
Crystal structure of (1'S)-camphanic acid (2S,4S)-2-tert-butyl-4-methyl-
1,3-dioxolan-4-ylmethyl ester, C~19~H~30~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              509
_journal_page_last               510
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C19 H30 O6'
_chemical_formula_weight         354.43
_chemical_name_common
;
(1S)-Camphanic acid
(2S,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester
;
_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                 93.95(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.241(1)
_cell_length_b                   10.588(1)
_cell_length_c                   14.697(1)
_cell_measurement_temperature    297(2)
_cell_volume                     968.9(2)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.215
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101329
Crystal structure of (1'S)-camphanic acid (2S,4S)- and (2R,4S)-2-tert- butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester mixed crystal, C~19~H~30~O~6~
Wattenbach, Carsten; Rabe, Susanne; Müller, Ulrich; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 511–512; doi:

data_8101330
_publ_section_title
;
Crystal structure of (1'S)-camphanic acid (2S,4S)- and (2R,4S)-2-tert-
butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester mixed crystal, C~19~H~30~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              511
_journal_page_last               512
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C19 H30 O6'
_chemical_formula_weight         354.44
_chemical_name_common
;
(1S)-Camphanic acid
(2S,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester
and
(1S)-camphanic acid
(2R,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester
;
_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                 94.50(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.319(2)
_cell_length_b                   10.430(2)
_cell_length_c                   14.389(2)
_cell_measurement_temperature    193(2)
_cell_volume                     945.4(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.210
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101330
Crystal structure of bis(5,5'-dimethyl-2,2'-dipyridyl)-(p-aminobenzoato)- aquamanganese(II) perchlorate dihydrate, [(C~12~H~12~N~2~)~2~(NH~2~C~6~H~4~COO) (H~2~O)Mn]ClO~4~ · 2H~2~O
Zhou, Xin-Hong; Yu, Wen-Tao; Wang, Ze-Xin; Fu, You-Jun; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 496–498; doi:

data_8101331
_publ_section_title
;
Crystal structure of bis(5,5'-dimethyl-2,2'-dipyridyl)-(p-aminobenzoato)-
aquamanganese(II) perchlorate dihydrate, [(C~12~H~12~N~2~)~2~(NH~2~C~6~H~4~COO)
(H~2~O)Mn]ClO~4~ &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              496
_journal_page_last               498
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C31H32N5O3Mn ClO4 2H2O'
_chemical_formula_structural
;
[(C12H12N2)2 (NH2C6H4COO) H2O Mn] ClO4 * 2H2O
;
_chemical_formula_sum            'C31 H36 Cl Mn N5 O9'
_chemical_formula_weight         713.04
_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                79.322(9)
_cell_angle_beta                 79.550(8)
_cell_angle_gamma                79.152(6)
_cell_formula_units_Z            2
_cell_length_a                   9.5173(9)
_cell_length_b                   12.0593(12)
_cell_length_c                   15.752(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1724.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.373
_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_database_code               8101331
Redetermination of the crystal structure of dichlorotetrakisthioureacadmium, C~4~H~16~CdCl~2~N~8~S~4~
Jiang, Xue Ning; Yu, Wen Tao; Yuan, Duo Rong; Xu, Dong; Lv, Meng Kai; Wang, Xin Qiang; Guo, Shi Yi; Jiang, Min Hua; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 499–500; doi:

data_8101332
_publ_section_title
;
Redetermination of the crystal structure of dichlorotetrakisthioureacadmium, 
C~4~H~16~CdCl~2~N~8~S~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              499
_journal_page_last               500
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C4 H16 Cd Cl2 N8 S4'
_chemical_formula_weight         487.79
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8035(10)
_cell_length_b                   13.8035(10)
_cell_length_c                   9.2678(15)
_cell_measurement_temperature    566(2)
_cell_volume                     1765.9(3)
_cod_database_code               8101332
Crystal structure of (3aR,4'R,7R,7aS)-tetrahydro-7-hydroxy-2,2,2', 2'-tetramethylspiro[1,3-benzodioxole-5(4H),4'-[1,3]dioxolan]-5'-one, C~13~H~20~O~6~
Kelling, Alexandra; Schilde, Uwe; Sefkow, Michael; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 513–514; doi:

data_8101333
_publ_section_title
;
Crystal structure of (3aR,4'R,7R,7aS)-tetrahydro-7-hydroxy-2,2,2',
2'-tetramethylspiro[1,3-benzodioxole-5(4H),4'-[1,3]dioxolan]-5'-one, 
C~13~H~20~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              513
_journal_page_last               514
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C13 H20 O6'
_chemical_formula_weight         272.29
_chemical_melting_point          385
_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                   6.1338(19)
_cell_length_b                   13.6642(15)
_cell_length_c                   16.565(31)
_cell_measurement_temperature    298(2)
_cell_volume                     1388.4(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.304
_cod_database_code               8101333
Crystal structure of mer-triaqua-[6-amino-5-formyl-1,3-dimethyluracilate benzoylhydrazone-N,N',O] chromium(II) nitrate, C~14~H~20~CrN~7~O~12~
Hueso-Ureña, Francisco; Moreno-Carretero, Miguel N.; Peñas-Chamorro, Antonio L.; Debaerdemaeker, Tony; Esteve, Vicente; Amigó, José M.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 519–520; doi:

data_8101334
_publ_section_title
;
Crystal structure of mer-triaqua-[6-amino-5-formyl-1,3-dimethyluracilate 
benzoylhydrazone-N,N',O] chromium(II) nitrate, C~14~H~20~CrN~7~O~12~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              519
_journal_page_last               520
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C14 H20 Cr N7 O12'
_chemical_formula_weight         530.37
_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                104.690(17)
_cell_angle_beta                 93.526(18)
_cell_angle_gamma                90.837(19)
_cell_formula_units_Z            2
_cell_length_a                   7.0003(12)
_cell_length_b                   11.863(2)
_cell_length_c                   13.031(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1044.3(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.687
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (35
times).

'_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 (20 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101334
Crystal structure of aquachloro(salicylato)(1,10-phenanthroline)-copper (II), C~19~H~15~ClCuN~2~O~4~
Lemoine, Pascale; Tomas, Alain; Nguyen-Huy, Dung; Viossat, Bernard; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 521–522; doi:

data_8101335
_publ_section_title
;
Crystal structure of aquachloro(salicylato)(1,10-phenanthroline)-copper
(II), C~19~H~15~ClCuN~2~O~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              521
_journal_page_last               522
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C19 H15 Cl Cu N2 O4'
_chemical_formula_weight         434.32
_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                 106.66(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.187(3)
_cell_length_b                   21.053(6)
_cell_length_c                   10.673(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1762(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      1.62(2)
_refine_ls_R_factor_obs          0.0518
_refine_ls_wR_factor_obs         0.1293
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101335
Crystal structure of triaqua-(1,10-phenanthroline-N,N')sulfatomanganese (II), Mn(C~12~H~8~N~2~)(H~2~O)~3~SO~4~
Zheng, Yue-Qing; Lin, Jian-Li; Kong, Zu-Ping; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 531–532; doi:

data_8101336
_publ_section_title
;
Crystal structure of triaqua-(1,10-phenanthroline-N,N')sulfatomanganese
(II), Mn(C~12~H~8~N~2~)(H~2~O)~3~SO~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              531
_journal_page_last               532
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Mn(C12 H8 N2)(H2 O)3 S O4'
_chemical_formula_sum            'C12 H14 Mn N2 O7 S'
_chemical_formula_weight         385.25
_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                   8.0810(10)
_cell_length_b                   9.6890(10)
_cell_length_c                   19.338(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1514.1(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.690
_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               8101336
Crystal structure of diaqua-di-μ-hydroxo-bis-(1,10-phenanthroline- N,N')- dicopper(II) succinate octahydrate, [Cu~2~(C~12~H~8~N~2~)~2~ (H~2~O)~2~(OH)~2~](C~4~H~4~O~4~) · 8H~2~O
Zheng, Yue-Qing; Sun, Jie; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 533–534; doi:

data_8101337
_publ_section_title
;
Crystal structure of diaqua-di-\m-hydroxo-bis-(1,10-phenanthroline-
N,N')- dicopper(II) succinate octahydrate, [Cu~2~(C~12~H~8~N~2~)~2~
(H~2~O)~2~(OH)~2~](C~4~H~4~O~4~) &#x00B7; 8H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              533
_journal_page_last               534
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural
;
[Cu2(C12 H8 N2)2 (H2 O)2 (O H)2]C4 H4 O4) . 8H2 O
;
_chemical_formula_sum            'C28 H42 Cu2 N4 O16'
_chemical_formula_weight         817.74
_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                96.700(10)
_cell_angle_beta                 104.450(10)
_cell_angle_gamma                102.380(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1510(10)
_cell_length_b                   9.5200(10)
_cell_length_c                   11.8450(10)
_cell_measurement_temperature    293(2)
_cell_volume                     855.18(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.588
_cod_database_code               8101337
Crystal structure of zinc glutarate, Zn(C~5~H~6~O~4~)
Zheng, Yue-Qing; Lin, Jian-Li; Zhang, Hong-Liang; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 535–536; doi:

data_8101338
_publ_section_title
;
Crystal structure of zinc glutarate, Zn(C~5~H~6~O~4~)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              535
_journal_page_last               536
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Zn (C5 H6 O4)'
_chemical_formula_sum            'C5 H6 O4 Zn'
_chemical_formula_weight         195.47
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.620(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.933(2)
_cell_length_b                   4.7820(10)
_cell_length_c                   9.281(2)
_cell_measurement_temperature    293(2)
_cell_volume                     618.3(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.100
_cod_original_sg_symbol_H-M      'P 2/C'
_cod_database_code               8101338