LMucko/crystallography-open-database huggingface dataset:
Crystal structure of dimethyl 6-bromo-2H-1-benzopyran-2,3-dicarboxylate, C~13~H~11~BrO~5~
Ramazani, Ali; Morsali, Ali; Noshiranzadeh, Nader; Mohammadi, Bagher; Arjmandfar, Hamid; Starikova, Zoya; Yanovsky, Alex; Korlyukov, A. A.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 595–596; doi:

data_8100785
_publ_section_title
;
Crystal structure of dimethyl 6-bromo-2H-1-benzopyran-2,3-dicarboxylate, 
C~13~H~11~BrO~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              595
_journal_page_last               596
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C13 H11 Br O5'
_chemical_formula_structural     'C13 H11 Br O5'
_chemical_formula_sum            'C13 H11 Br O5'
_chemical_formula_weight         327.13
_chemical_melting_point          139
_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                104.313(3)
_cell_angle_beta                 103.523(3)
_cell_angle_gamma                92.473(3)
_cell_formula_units_Z            2
_cell_length_a                   6.2993(7)
_cell_length_b                   9.7367(11)
_cell_length_c                   11.1423(13)
_cell_measurement_temperature    293(2)
_cell_volume                     640.13(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.697
_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_original_formula_sum        'C13 H11 Br1 O5'
_cod_database_code               8100785
Crystal structure of 2-[2,6-bis(1-methylethyl)phenyl]-2,3-dihydro- 1H-isoindol-1-one, C~20~H~23~NO, at 193K
Polamo, Mika; Hämäläinen, Markku; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 561–562; doi:

data_8100786
_publ_section_title
;
Crystal structure of 2-[2,6-bis(1-methylethyl)phenyl]-2,3-dihydro-
1H-isoindol-1-one, C~20~H~23~NO, at 193K
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              561
_journal_page_last               562
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C20 H23 N O'
_chemical_formula_structural     'C20 H23 N O'
_chemical_formula_sum            'C20 H23 N O'
_chemical_formula_weight         293.39
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.09(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.402(4)
_cell_length_b                   14.897(3)
_cell_length_c                   12.318(3)
_cell_measurement_temperature    193(2)
_cell_volume                     3363.5(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.159
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C20 H23 N1 O1'
_cod_database_code               8100786
Crystal structure of dithioacetic acid trimers, (CH~3~C(SH)S)~3~
Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 597–598; doi:

data_8100787
_publ_section_title
;
Crystal structure of dithioacetic acid trimers, (CH~3~C(SH)S)~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              597
_journal_page_last               598
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C6 H12 S6'
_chemical_formula_sum            'C6 H12 S6'
_chemical_formula_weight         276.52
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.954(3)
_cell_length_b                   12.617(3)
_cell_length_c                   9.716(2)
_cell_measurement_temperature    153(2)
_cell_volume                     1220.3(5)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.505
_refine_ls_R_factor_obs          0.0346
_refine_ls_wR_factor_obs         0.0968
_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               8100787
Crystal structure of 1-(4-methoxyphenyl)-1,3a,4,11c-tetrahydro-3H- benzo[f]furo[3,4-c]chromen-3,4-dione, C~22~H~16~O~5~
Greatrex, B.; Jevric, M.; Kimber, M. C.; Krivickas, S. J.; Taylor, D. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 587–588; doi:

data_8100788
_publ_section_title
;
Crystal structure of 1-(4-methoxyphenyl)-1,3a,4,11c-tetrahydro-3H-
benzo[f]furo[3,4-c]chromen-3,4-dione, C~22~H~16~O~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              587
_journal_page_last               588
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C22 H16 O5'
_chemical_formula_structural     'C22 H16 O5'
_chemical_formula_sum            'C22 H16 O5'
_chemical_formula_weight         360.35
_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
_cell_angle_beta                 100.226(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3280(6)
_cell_length_b                   11.9444(8)
_cell_length_c                   17.1876(12)
_cell_measurement_temperature    223(2)
_cell_volume                     1682.5(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.423
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100788
Crystal structure of 3R(S)-1'S(R)-2,2-dimethoxycarbonyl-3-(2',6',6'- trimethyl-2'-cyclohexen-1'-yl)-2,3-dihydrofuran, C~18~H~26~O~5~
Daut-Ozdemir, Ayse; Anac, Olcay; Borrmann, Horst; Somer, Mehmet; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 607–608; doi:

data_8100789
_publ_section_title
;
Crystal structure of 3R(S)-1'S(R)-2,2-dimethoxycarbonyl-3-(2',6',6'-
trimethyl-2'-cyclohexen-1'-yl)-2,3-dihydrofuran, C~18~H~26~O~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              607
_journal_page_last               608
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C18 H26 O5'
_chemical_formula_sum            'C18 H26 O5'
_chemical_formula_weight         322.39
_chemical_melting_point          380.6(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                80.779(6)
_cell_angle_beta                 89.142(7)
_cell_angle_gamma                80.300(7)
_cell_formula_units_Z            2
_cell_length_a                   8.6823(7)
_cell_length_b                   9.7285(7)
_cell_length_c                   10.6426(8)
_cell_measurement_temperature    293(2)
_cell_volume                     874.57(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.224
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '107-108 C' was changed to '380.6(5)'
- it was converted from degrees Celsius(C) to Kelvins(K), 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               8100789
Refinement of the crystal structure of bis[bis(N,N-diethyldithiocarbamato) mercury(II)], [Hg(S~2~CNEt~2~)~2~]~2~
Lai, C. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 593–594; doi:

data_8100790
_publ_section_title
;
Refinement of the crystal structure of bis[bis(N,N-diethyldithiocarbamato)
mercury(II)], [Hg(S~2~CNEt~2~)~2~]~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              593
_journal_page_last               594
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C10 H20 Hg N2 S4'
_chemical_formula_structural     '[Hg(S2 CNEt2)2]2'
_chemical_formula_sum            'C20 H40 Hg2 N4 S8'
_chemical_formula_weight         497.11
_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
_cell_angle_beta                 102.375(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6048(7)
_cell_length_b                   10.9119(8)
_cell_length_c                   15.7979(12)
_cell_measurement_temperature    183(2)
_cell_volume                     1617.3(2)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    2.042
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100790
Crystal structure of aqua-N-(2-hydroxyphenylmethenylimino)-1,5-diamine- 3-azapentanecopper(II) chloride, [(C~11~H~16~N~3~O)Cu(H~2~O)]Cl
Zhu, Hai-Liang; Li, Su-Yue; He, Wan-Mei; Yu, Kai-Bei; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 599–600; doi:

data_8100791
_publ_section_title
;
Crystal structure of aqua-N-(2-hydroxyphenylmethenylimino)-1,5-diamine-
3-azapentanecopper(II) chloride, [(C~11~H~16~N~3~O)Cu(H~2~O)]Cl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              599
_journal_page_last               600
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C11 H18 Cl Cu N3 O2'
_chemical_formula_sum            'C11 H18 Cl Cu N3 O2'
_chemical_formula_weight         323.27
_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                 101.870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.047(4)
_cell_length_b                   13.633(5)
_cell_length_c                   10.754(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1298.0(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.654
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C11 H18 Cl1 Cu1 N3 O2'
_cod_database_code               8100791
Crystal structure of tetraaqua(o-phenanthroline)cobalt(II) sulfate dihydrate, [C~12~H~8~N~2 ~)Co(H~2~O)~4~]SO~4~ · 2H~2~O
Zhu, Hai-Liang; Pan, Yong-Jun; Wang, Xian-Jiang; Yu, Kai-Bei; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 601–602; doi:

data_8100792
_publ_section_title
;
Crystal structure of tetraaqua(o-phenanthroline)cobalt(II) sulfate 
dihydrate, [C~12~H~8~N~2 ~)Co(H~2~O)~4~]SO~4~ &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              601
_journal_page_last               602
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C12 H20 CoN2 O10 S'
_chemical_formula_sum            'C12 H20 Co N2 O10 S'
_chemical_formula_weight         443.29
_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                   8.856(1)
_cell_length_b                   18.318(3)
_cell_length_c                   21.918(5)
_cell_measurement_temperature    292(2)
_cell_volume                     3555.6(11)
_diffrn_ambient_temperature      292(2)
_exptl_crystal_density_diffrn    1.656
_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_original_formula_sum        'C12 H20 Co1 N2 O10 S1'
_cod_database_code               8100792
Crystal structure of 6-methylnicotinamide, C~7~H~8~N~2~O
Schlenker, Julie C.; Staples, Richard J.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 555–556; doi:

data_8100793
_publ_section_title
;
Crystal structure of 6-methylnicotinamide, C~7~H~8~N~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              555
_journal_page_last               556
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         C7H8NO
_chemical_formula_structural     'C7 H8 N2 O'
_chemical_formula_sum            'C7 H8 N2 O'
_chemical_formula_weight         136.15
_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                 99.202(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8355(9)
_cell_length_b                   7.4643(7)
_cell_length_c                   10.4284(10)
_cell_measurement_temperature    213(2)
_cell_volume                     678.91(11)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.332
_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.

'_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 (4 times).

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_original_formula_sum        'C7 H8 N2 O1'
_cod_database_code               8100793
Crystal structure of 2-(2,6-dimethylphenylamino)pyridine, C~13~H~14~N~2~
Polamo, Mika; Hämäläinen, Markku; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 563–564; doi:

data_8100794
_publ_section_title
;
Crystal structure of 2-(2,6-dimethylphenylamino)pyridine, C~13~H~14~N~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              563
_journal_page_last               564
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C13 H14 N2'
_chemical_formula_sum            'C13 H14 N2'
_chemical_formula_weight         198.26
_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                 116.40(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.653(17)
_cell_length_b                   7.185(2)
_cell_length_c                   13.87(2)
_cell_measurement_temperature    193(2)
_cell_volume                     1130(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.166
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100794
Crystal structure of ent-(7β,11α)-dihydroxy-1-oxo-kaur-16-en-19-oic acid, C~20~H~28~O~5~
Punnapayak, H.; Pechwang, J.; Chaichit, N.; Jaiboon, N.; Pornpakakul, S.; Petsom, A.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 603–604; doi:

data_8100795
_publ_section_title
;
Crystal structure of ent-(7\b,11\a)-dihydroxy-1-oxo-kaur-16-en-19-oic acid, 
C~20~H~28~O~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              603
_journal_page_last               604
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C20 H28 O5'
_chemical_formula_sum            'C20 H28 O5'
_chemical_formula_weight         348.42
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.87820(10)
_cell_length_b                   14.2772(2)
_cell_length_c                   15.7818(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1775.12(4)
_exptl_crystal_density_diffrn    1.304
_cod_database_code               8100795
Crystal structure of N-nitroso-2,3,4,5-tetrahydro-2,2,4-trimethyl- 1,5-benzothiazepine, C~12~H~16~N~2~OS
Laavanya, Parthasarathi; Panchanatheswaran, Krishnaswamy; Muthukumar, Manivannan; Jeyaraman, Ramasubbu; Krause Bauer, Jeanette A; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 605–606; doi:

data_8100796
_publ_section_title
;
Crystal structure of N-nitroso-2,3,4,5-tetrahydro-2,2,4-trimethyl-
1,5-benzothiazepine, C~12~H~16~N~2~OS
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              605
_journal_page_last               606
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C12 H16 N2 O S'
_chemical_formula_sum            'C12 H16 N2 O S'
_chemical_formula_weight         236.33
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000(4)
_cell_angle_beta                 110.741(4)
_cell_angle_gamma                90.000(4)
_cell_formula_units_Z            8
_cell_length_a                   31.342(5)
_cell_length_b                   6.9265(13)
_cell_length_c                   12.322(2)
_cell_measurement_temperature    295(2)
_cell_volume                     2501.7(8)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.255
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C12 H16 N2 O1 S1'
_cod_database_code               8100796
Crystal structure of cis-5-methoxy-2,2-dimethoxycarbonyl-5-methyl- 3-(2',6',6'-trimethyl-1'-cyclohexen-1'-yl)tetrahydrofuran, C~19~H~30~O~6~
Daut-Ozdemir, Ayse; Annac, Olcay; Borrmann, Horst; Somer, Mehmet; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 609–611; doi:

data_8100797
_publ_section_title
;
Crystal structure of cis-5-methoxy-2,2-dimethoxycarbonyl-5-methyl-
3-(2',6',6'-trimethyl-1'-cyclohexen-1'-yl)tetrahydrofuran, C~19~H~30~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              609
_journal_page_last               611
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C19 H30 O6'
_chemical_formula_structural     'C19 H30 O6'
_chemical_formula_sum            'C19 H30 O6'
_chemical_formula_weight         354.43
_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                67.330(8)
_cell_angle_beta                 79.529(10)
_cell_angle_gamma                81.508(10)
_cell_formula_units_Z            4
_cell_length_a                   7.8976(12)
_cell_length_b                   14.5173(21)
_cell_length_c                   18.993(3)
_cell_measurement_temperature    295(2)
_cell_volume                     1968.6(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.196
_cod_database_code               8100797
Crystal structure of tetrapotassium dihydrogen heptatungsteno tetramolybdeno monomanganese monoaquasilicate hydrate, K~4~H~2~[SiW~7~Mo~4~Mn(H~2~O)O~39~] · 13H~2~O
Ye, Sheng-Rong; Shan, Yong-Kui; He, Ming-Yuan; Dai, Li-Yi; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 451–452; doi:

data_8100798
_publ_section_title
;
Crystal structure of tetrapotassium dihydrogen heptatungsteno tetramolybdeno 
monomanganese monoaquasilicate hydrate, K~4~H~2~[SiW~7~Mo~4~Mn(H~2~O)O~39~] 
&#x00B7; 13H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              451
_journal_page_last               452
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural
'K4 H2 [SiW4 Mo7 Mn(H2 O)O39] &#x00B7; 13H2 O'
_chemical_formula_sum            'K4 Mn Mo4 O53 Si W7'
_chemical_formula_weight         2758.14
_space_group_IT_number           128
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.105(5)
_cell_length_b                   14.105(5)
_cell_length_c                   12.476(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2482.3(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.690
_cod_database_code               8100798