LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 1-(9-fluorenyl)-2-(1-indenyl)ethane, C~24~H~20~
Klinga, Martti; Rieger, Bernhard; Leskelä, Markku; Jany, Gerhard; Repo, Timo; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 421–422; doi:

data_8101280
_publ_section_title
;
Crystal structure of 1-(9-fluorenyl)-2-(1-indenyl)ethane, C~24~H~20~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              421
_journal_page_last               422
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C24 H20'
_chemical_formula_weight         308.40
_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                 93.17(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.623(5)
_cell_length_b                   8.477(4)
_cell_length_c                   21.064(4)
_cell_measurement_temperature    193(2)
_cell_volume                     1715.6(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.194
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101280
Crystal structure of tetraaquamanganese succinate, Mn(H~2~O)~4~C~4~H~4~O~4~
Fleck, Michel; Tillmanns, Ekkehart; Bohaty, Ladislav; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 429–430; doi:

data_8101281
_publ_section_title
;
Crystal structure of tetraaquamanganese succinate, Mn(H~2~O)~4~C~4~H~4~O~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              429
_journal_page_last               430
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Mn 2+, C4 H4 O4 2-, 4(H2 O)'
_chemical_formula_structural     'Mn (H2 O)4 C4 H4 O4'
_chemical_formula_sum            'C4 H12 Mn O8'
_chemical_formula_weight         243.08
_chemical_name_common            'tetraaquamanganese succinate'
_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                 99.94(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.513(2)
_cell_length_b                   14.915(3)
_cell_length_c                   7.891(2)
_cell_measurement_temperature    293(2)
_cell_volume                     871.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.854
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101281
Crystal structure of 1-[2(3H)-benzothiazolone-3-yl]propanoylmorpholine, C~14~H~16~N~2~O~3~S
İngeç,Σebnem Kandil; Aydın, Abdullah; Soylu, Hüseyin; Arıcı , Cengiz; Çakír, Bilge; Şahin, M. Fethi; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 431–432; doi:

data_8101282
_publ_section_title
;
Crystal structure of 1-[2(3H)-benzothiazolone-3-yl]propanoylmorpholine, 
C~14~H~16~N~2~O~3~S
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              431
_journal_page_last               432
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C14 H16 N2 O3 S'
_chemical_formula_sum            'C14 H16 N2 O3 S'
_chemical_formula_weight         292.35
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2bc'
_symmetry_space_group_name_H-M   'P n a a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.933(1)
_cell_length_b                   11.391(1)
_cell_length_c                   27.983(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2847.2(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.364
_cod_database_code               8101282
Crystal structure of (1S,2R,4S)-2-bromomethyl-1-azabicyclo[2.2.2]- octan-5-one, C~8~H~12~BrNO
Wartchow, R.; Frackenpohl, J.; Hoffmann, H. M. R.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 435–436; doi:

data_8101283
_publ_section_title
;
Crystal structure of (1S,2R,4S)-2-bromomethyl-1-azabicyclo[2.2.2]-
octan-5-one, C~8~H~12~BrNO
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              435
_journal_page_last               436
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C8 H12 Br N O'
_chemical_formula_weight         218.10
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0020(10)
_cell_length_b                   7.4320(10)
_cell_length_c                   16.762(2)
_cell_measurement_temperature    300(2)
_cell_volume                     872.3(2)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.661
_refine_ls_R_factor_obs          0.0305
_refine_ls_wR_factor_obs         0.0473
_cod_database_code               8101283
Crystal structure of biscalix[4]arene-crown-6, C~64~H~60~O~6~
Bryan, Jeffrey C.; Haverlock, Tamara J.; Sachleben, Richard A.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 439–440; doi:

data_8101284
_publ_section_title
;
Crystal structure of biscalix[4]arene-crown-6, C~64~H~60~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              439
_journal_page_last               440
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C64 H60 O6'
_chemical_formula_structural     'C64 H60 O6'
_chemical_formula_sum            'C64 H60 O6'
_chemical_formula_weight         925.1
_chemical_name_common            biscalix[4]arene-crown-6
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.246(13)
_cell_angle_beta                 108.274(13)
_cell_angle_gamma                107.044(14)
_cell_formula_units_Z            1
_cell_length_a                   8.907(2)
_cell_length_b                   12.002(2)
_cell_length_c                   12.844(2)
_cell_measurement_temperature    297(2)
_cell_volume                     1233.5(4)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.24
_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               8101284
Crystal structure of hexaaquocobalt(II) theophylline-7-acetate tetrahydrate, [Co(OH~2~)~6~][C~9~H~9~N~4~O~4~]~2~ · 4H~2~O
Horn, E.; Botello, A. F.; Salas, J. M.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 441–442; doi:

data_8101285
_publ_section_title
;
Crystal structure of hexaaquocobalt(II) theophylline-7-acetate tetrahydrate, 
[Co(OH~2~)~6~][C~9~H~9~N~4~O~4~]~2~ &#x00B7; 4H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              441
_journal_page_last               442
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[Co(O H2)6][C9 H9 N4 O4]2 . 4H2 O'
_chemical_formula_sum            'C18 H38 Co N8 O18'
_chemical_formula_weight         713.47
_chemical_name_systematic
;
hexaaquo cobalt(II) theophylline-7-acetate tetrahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.4(3)
_cell_angle_beta                 95.25(1)
_cell_angle_gamma                115.08(1)
_cell_formula_units_Z            1
_cell_length_a                   8.141(2)
_cell_length_b                   9.117(1)
_cell_length_c                   11.893(1)
_cell_measurement_temperature    293
_cell_volume                     749.5(9)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.581
_cod_original_formula_sum        'C18 H38 Co N8 O18 '
_cod_database_code               8101285
Crystal structure of 4-bromo-2,6-bis(hydroxymethyl)phenol, C~8~H~9~BrO~3~
Crisp, G. T.; Turner, P. D.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 443–444; doi:

data_8101286
_publ_section_title
;
Crystal structure of 4-bromo-2,6-bis(hydroxymethyl)phenol, C~8~H~9~BrO~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              443
_journal_page_last               444
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C8 H9 Br O3 '
_chemical_formula_sum            'C8 H9 Br O3'
_chemical_formula_weight         233.06
_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
_cell_angle_beta                 112.72(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.365(4)
_cell_length_b                   14.479(4)
_cell_length_c                   8.433(2)
_cell_measurement_temperature    173
_cell_volume                     829.5(6)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.866
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C8 H9 Br O3 '
_cod_database_code               8101286
Crystal structure of 1-[2-[6-(4-methoxyphenyl)-3(2H)-pyridazinone- 2-yl]-acetyl]-4-(3-chlorophenyl)piperazine, C~23~H~23~ClN4O~3~
İngeç Şebnem Kandil; Soylu, Hυseyin; Engin, Kendi; Doğruer, Deniz S.; Şahin, M. Fethi; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 433–434; doi:

data_8101287
_publ_section_title
;
Crystal structure of 1-[2-[6-(4-methoxyphenyl)-3(2H)-pyridazinone-
2-yl]-acetyl]-4-(3-chlorophenyl)piperazine, C~23~H~23~ClN4O~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              433
_journal_page_last               434
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C23 H23 Cl N4 O3'
_chemical_formula_sum            'C23 H23 Cl N4 O3'
_chemical_formula_weight         438.90
_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                69.161(9)
_cell_angle_beta                 70.761(5)
_cell_angle_gamma                72.90(1)
_cell_formula_units_Z            2
_cell_length_a                   10.044(1)
_cell_length_b                   10.955(2)
_cell_length_c                   11.450(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1089.1(2)
_exptl_crystal_density_diffrn    1.338
_cod_database_code               8101287
Crystal structure of 2,11-bis(isopropylimino)-5,5,6,6,7,7,8,8-octafluorododeca- 2,10-dien-4,9-dione, C~18~H~24~F~8~N~2~O~2~
Röschenthaler, Gerd-Volker; Przyborowski, Jan; Lork, Enno; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 449–450; doi:

data_8101288
_publ_section_title
;
Crystal structure of 2,11-bis(isopropylimino)-5,5,6,6,7,7,8,8-octafluorododeca-
2,10-dien-4,9-dione, C~18~H~24~F~8~N~2~O~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              449
_journal_page_last               450
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C18 H24 F8 N2 O2'
_chemical_formula_weight         452.39
_chemical_name_common
;
 2,11-Bis(isopropylimino)-5,5,6,6,7,7,8,8-octafluorododeca-2,10-dien-4,9-dion
;
_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                75.840(10)
_cell_angle_beta                 81.49(2)
_cell_angle_gamma                75.35(2)
_cell_formula_units_Z            1
_cell_length_a                   6.382(2)
_cell_length_b                   8.8570(10)
_cell_length_c                   10.061(2)
_cell_measurement_temperature    173(2)
_cell_volume                     531.2(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.414
_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               8101288
Crystal structure of (10bSR,11RS)-10b-hydroxy-11-phenyl-10b,11-dihydro- isoindolo[2,1a]indol-6-one, C~21~H~15~NO~2~
Lex, Johann; Griesbeck, Axel G.; Kramer, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 451–452; doi:

data_8101289
_publ_section_title
;
Crystal structure of (10bSR,11RS)-10b-hydroxy-11-phenyl-10b,11-dihydro-
isoindolo[2,1a]indol-6-one, C~21~H~15~NO~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              451
_journal_page_last               452
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C21 H15 N O2'
_chemical_formula_weight         313.34
_chemical_melting_point          468.0(10)
_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                 97.16(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.496(1)
_cell_length_b                   7.208(1)
_cell_length_c                   19.394(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1594.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.305
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '467-469' was changed to '468.0(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/n'
_cod_database_code               8101289
Crystal structure of (1S,2R,5R,6R)-2-methoxy-6-(16-nitrophenylethynyl)- 1-azabicyclo[3.2.2]nonane, C~17~H~20~N~2~O~3~
Frackenpohl, J.; Röper, S.; Hoffmann, H. M. R.; Wartchow, R.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 437–438; doi:

data_8101290
_publ_section_title
;
Crystal structure of (1S,2R,5R,6R)-2-methoxy-6-(16-nitrophenylethynyl)-
1-azabicyclo[3.2.2]nonane, C~17~H~20~N~2~O~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              437
_journal_page_last               438
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C17 H20 N2 O3'
_chemical_formula_weight         300.35
_chemical_melting_point          352
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0960(10)
_cell_length_b                   11.6710(10)
_cell_length_c                   19.277(2)
_cell_measurement_temperature    300(2)
_cell_volume                     1596.5(3)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    1.250
_cod_database_code               8101290
Crystal structure of tetrakis[μ-(4-chlorobenzoato-O,O')-μ~3~- (2-dimethylaminoethanolato)copper(II)]) dimethanol, C~46~H~64~Cl~4~Cu~4~N~4~O~14~
Turpeinen, Urho; Klinga, Martti; Mutikainen, Ilpo; Hämäläinen, Reijo; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 418–420; doi:

data_8101291
_publ_section_title
;
Crystal structure of tetrakis[\m-(4-chlorobenzoato-O,O')-\m~3~-
(2-dimethylaminoethanolato)copper(II)]) dimethanol, 
C~46~H~64~Cl~4~Cu~4~N~4~O~14~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              418
_journal_page_last               420
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C46 H64 Cl4 Cu4 N4 O14'
_chemical_formula_weight         1292.97
_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                106.27(2)
_cell_angle_beta                 105.76(2)
_cell_angle_gamma                102.24(2)
_cell_formula_units_Z            2
_cell_length_a                   14.056(4)
_cell_length_b                   14.704(4)
_cell_length_c                   15.335(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2782.1(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.543
_refine_ls_R_factor_obs          0.0353
_refine_ls_wR_factor_obs         0.0809
_cod_database_code               8101291
Crystal structure of N-1-adamantylbis[bis(trimethylsilyl)amido]-germanimine, C~22~H~51~GeN~3~Si~4~
Schäfer, Helmut; Saak, Wolfgang Saak; Weidenbruch, Manfred; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 453–454; doi:

data_8101292
_publ_section_title
;
Crystal structure of N-1-adamantylbis[bis(trimethylsilyl)amido]-germanimine, 
C~22~H~51~GeN~3~Si~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              453
_journal_page_last               454
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C22 H51 Ge N3 Si4'
_chemical_formula_weight         542.61
_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                73.849(6)
_cell_angle_beta                 82.902(7)
_cell_angle_gamma                67.437(7)
_cell_formula_units_Z            2
_cell_length_a                   10.0862(6)
_cell_length_b                   11.3809(7)
_cell_length_c                   14.9594(8)
_cell_measurement_temperature    193(2)
_cell_volume                     1522.89(15)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.183
_cod_database_code               8101292
Redetermination of the crystal structure of dimeric bis(N,N- diethyldithiocarbamato)zinc, [Zn(S~2~CNEt~2~)~2~]~2~
Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 445–446; doi:

data_8101293
_publ_section_title
;
Redetermination of the crystal structure of dimeric bis(N,N-
diethyldithiocarbamato)zinc, [Zn(S~2~CNEt~2~)~2~]~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              445
_journal_page_last               446
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C10 H20 N2 S4 Zn '
_chemical_formula_structural     '[Zn(S2 C N Et2)2]2'
_chemical_formula_sum            'C10 H20 N2 S4 Zn'
_chemical_formula_weight         361.90
_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                 104.064(24)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.814(3)
_cell_length_b                   10.667(3)
_cell_length_c                   15.655(4)
_cell_measurement_temperature    173
_cell_volume                     1589.7(8)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.512
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C10 H20 N2 S4 Zn '
_cod_database_code               8101293
Crystal structure of bis(O,O-diisopropylphosphorodithioato-κS, κS')-bis[μ-[2-(mercapto-κS)ethoxy-κO]ethanethiolato (2-)κS:κS]-diindium, [(iPrO)~2~PS~2~In(SCH~2~CH~2~OCH~2~CH~2~S) ~2~InS~2~P(OiPr)~2~]
Pahari, D.; Jain, V. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 447–448; doi:

data_8101294
_publ_section_title
;
Crystal structure of bis(O,O-diisopropylphosphorodithioato-\kS,
\kS')-bis[\m-[2-(mercapto-\kS)ethoxy-\kO]ethanethiolato
(2-)\kS:\kS]-diindium, [(iPrO)~2~PS~2~In(SCH~2~CH~2~OCH~2~CH~2~S)
~2~InS~2~P(OiPr)~2~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              447
_journal_page_last               448
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C20 H44 In2 O6 P2 S8 '
_chemical_formula_structural
;
[(i Pr O)2 P S2 In(S C H2 C H2 O C H2 C H2 S)2 In S2 P(O i Pr)2]
;
_chemical_formula_sum            'C20 H44 In2 O6 P2 S8'
_chemical_formula_weight         928.63
_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
_cell_angle_beta                 93.59(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.962(5)
_cell_length_b                   15.222(8)
_cell_length_c                   27.536(10)
_cell_measurement_temperature    173
_cell_volume                     3748.9(28)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.645
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C20 H44 In2 O6 P2 S8 '
_cod_database_code               8101294