LMucko/crystallography-open-database huggingface dataset:
Crystal structure of S-p-nitrophenyl-S-phenyl-S-fluorothiazyne, (C~6~H~5~) NFS(C~6~H~4~NO~2~)
Horn , E.; Dong, T.; Fujii, T.; Yoshimura, T.; Shimasaki, C.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 357–358; doi:

data_8101266
_publ_section_title
;
Crystal structure of S-p-nitrophenyl-S-phenyl-S-fluorothiazyne, (C~6~H~5~)
NFS(C~6~H~4~NO~2~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              357
_journal_page_last               358
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C12 H9 F N2 O2 S '
_chemical_formula_structural     (C6H5)(N)(F)S(C6H4.NO2)
_chemical_formula_sum            'C12 H9 F N2 O2 S'
_chemical_formula_weight         264.27
_chemical_name_common
;
S-p-nitrophenyl-S-phenyl-S-fluorothiazyne
;
_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                 111.82(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.638(4)
_cell_length_b                   14.070(3)
_cell_length_c                   10.735(3)
_cell_measurement_temperature    296.2
_cell_volume                     1211.2(6)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.449
_refine_ls_R_factor_obs          0.0420
_refine_ls_wR_factor_obs         0.0388
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C12 H9 F N2 O2 S '
_cod_database_code               8101266
Crystal structure of 2-carbonylethoxy-5-carbonylmethoxy-4-(2-chloro- phenyl)-6-methyl-4,7-dihydrothiene-[2,3-b]pyridine, C~19~H~18~NO~4~SCl
Duque, Julio; Pomés, Ramón; Suárez Margarita; Ochoa, Estael; Verdecia, Yamila; Punte, Graciela; Echevarría, Gustavo; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 361–362; doi:

data_8101267
_publ_section_title
;
Crystal structure of 2-carbonylethoxy-5-carbonylmethoxy-4-(2-chloro-
phenyl)-6-methyl-4,7-dihydrothiene-[2,3-b]pyridine, C~19~H~18~NO~4~SCl
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              361
_journal_page_last               362
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C19 H18 Cl N O4 S'
_chemical_formula_weight         391.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90.00(0)
_cell_angle_beta                 96.52(3)
_cell_angle_gamma                90.00(0)
_cell_formula_units_Z            4.00
_cell_length_a                   15.510(3)
_cell_length_b                   9.213(2)
_cell_length_c                   12.888(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1829.7(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.4225
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C19 H18 N1 O4 S1 Cl'
_cod_database_code               8101267
Crystal structure of ammonium iminodiacetate, NH~4~C~4~H~6~NO~4~
Marković, Zorica B.; Bogdanović, Goran A.; Spasojević-de Biré, Anne; Sabo, Tibor J.; Trifunovíc, Srecḱo R.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 363–364; doi:10.1515/ncrs-2000-0328

data_8101268
_publ_section_title
;
Crystal structure of ammonium iminodiacetate, NH~4~C~4~H~6~NO~4~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              363
_journal_page_last               364
_journal_paper_doi               10.1515/ncrs-2000-0328
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'NH4, C4H6NO4'
_chemical_formula_structural     'N H4 C4 H6 N O4'
_chemical_formula_sum            'C4 H10 N2 O4'
_chemical_formula_weight         150.14
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.782(2)
_cell_length_b                   8.642(2)
_cell_length_c                   10.230(3)
_cell_measurement_temperature    293(2)
_cell_volume                     688.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.450
_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 (10 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101268
Crystal structure of diphenylguanidinium dihydrogenphosphite‒phosphoric acid‒water (2/1/1), 2[(C~13~N~3~H~14~)(H~2~PO~3~)] · H~3~PO~3~ · H~2~O
Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 352–356; doi:

data_8101269
_publ_section_title
;
Crystal structure of diphenylguanidinium dihydrogenphosphite--phosphoric 
acid--water (2/1/1), 2[(C~13~N~3~H~14~)(H~2~PO~3~)] &#x00B7; H~3~PO~3~ &#x00B7; 
H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              352
_journal_page_last               356
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety
'2(C13 N3 H14 1+), 2(H2 P O3 1-),H3 P O3, H2 O'
_chemical_formula_sum            'C26 H37 N6 O10 P3'
_chemical_formula_weight         686.83
_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                76.40(3)
_cell_angle_beta                 73.33(3)
_cell_angle_gamma                64.50(4)
_cell_formula_units_Z            2
_cell_length_a                   10.961(3)
_cell_length_b                   12.204(4)
_cell_length_c                   14.128(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1620.4(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.408
_cod_database_code               8101269
Crystal structure of 1-oxa-6-thia-7,10-bis(trimethylsilyl)-11-sulfoxide- spiro[4.4.5]undeca-3,8-dien-2-one, C~14~H~22~O~3~S~2~Si~2~
Zhang, S.-Z.; Sato, S.; Horn, E.; Furukawa, Naomichi; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 359–360; doi:

data_8101270
_publ_section_title
;
Crystal structure of 1-oxa-6-thia-7,10-bis(trimethylsilyl)-11-sulfoxide-
spiro[4.4.5]undeca-3,8-dien-2-one, C~14~H~22~O~3~S~2~Si~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              359
_journal_page_last               360
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C14 H22 O3 S2 Si2 '
_chemical_formula_sum            'C14 H22 O3 S2 Si2'
_chemical_formula_weight         358.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.13(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.267(1)
_cell_length_b                   11.548(1)
_cell_length_c                   13.242(1)
_cell_measurement_temperature    569.2
_cell_volume                     1875.3(2)
_diffrn_ambient_temperature      569.2
_exptl_crystal_density_diffrn    1.270
_refine_ls_R_factor_obs          0.0337
_refine_ls_wR_factor_obs         0.0356
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C14 H22 O3 S2 Si2 '
_cod_database_code               8101270
Crystal structure of bis(cyclopentadienyl)titanium-N,N-bis(cyclohexyl) diazabuta-1,3-diene, C~24~H~34~N~2~Ti
Spannenberg, Anke; Zippel, Thorsten; Rosenthal, Uwe; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 365–366; doi:

data_8101271
_publ_section_title
;
Crystal structure of bis(cyclopentadienyl)titanium-N,N-bis(cyclohexyl)
diazabuta-1,3-diene, C~24~H~34~N~2~Ti
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              365
_journal_page_last               366
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C24 H34 N2 Ti'
_chemical_formula_weight         398.43
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.000(4)
_cell_length_b                   14.383(3)
_cell_length_c                   7.907(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2160.8(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.225
_refine_ls_R_factor_obs          0.0294
_refine_ls_wR_factor_obs         0.0642
_cod_database_code               8101271
Crystal structure of di(bis(cyclopentadienyl)titanocene) carbonate, C~42~H~40~O~6~Ti~4~
Spannenberg, Anke; Zippel, Thorsten; Burlakov, Vladimir V.; Rosenthal, Uwe; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 367–368; doi:

data_8101272
_publ_section_title
;
Crystal structure of di(bis(cyclopentadienyl)titanocene) carbonate, 
C~42~H~40~O~6~Ti~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              367
_journal_page_last               368
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C42 H40 O6 Ti4'
_chemical_formula_weight         832.34
_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                 96.52(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.522(4)
_cell_length_b                   7.891(2)
_cell_length_c                   25.100(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3841.6(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.439
_refine_ls_R_factor_obs          0.0353
_refine_ls_wR_factor_obs         0.0655
_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               8101272
The pseudo-orthorhomic crystal structure of monoclinic trilithium citrate tetrahydrate, Li~3~HOC(COO)(CH~2~COO)~2~ · 4H~2~O
Schreuer, Jürgen; Haussühl, Siegfried; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 369–370; doi:

data_8101273
_publ_section_title
;
The pseudo-orthorhomic crystal structure of monoclinic trilithium 
citrate tetrahydrate, Li~3~HOC(COO)(CH~2~COO)~2~ &#x00B7; 4H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              369
_journal_page_last               370
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Li3 H O C (C O O H) (C H2 C O O H)2 H2 O'
_chemical_formula_sum            'C6 H13 Li3 O11'
_chemical_formula_weight         281.98
_chemical_name_common            'trilithium citrate tetrahydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   18.177(4)
_cell_length_b                   12.304(2)
_cell_length_c                   20.595(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4606.0(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_meas      1.627
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               8101273
Crystal structure of lithium (S)-2-pyrrolidone-5-carboxylate monohydrate, LiC~5~H~6~NO~3~ · H~2~O
Schreuer, Jürgen; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 371–372; doi:

data_8101274
_publ_section_title
;
Crystal structure of lithium (S)-2-pyrrolidone-5-carboxylate monohydrate, 
LiC~5~H~6~NO~3~ &#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              371
_journal_page_last               372
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Li C5 H6 N O3 * H2 O'
_chemical_formula_structural     'Li C5 H6 N O3 * H2 O'
_chemical_formula_sum            'C5 H8 Li N O4'
_chemical_formula_weight         153.06
_chemical_name_common            'Lithium L-pyroglutamate monohydrate'
_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                   5.2750(10)
_cell_length_b                   8.022(2)
_cell_length_c                   15.865(3)
_cell_measurement_temperature    299(2)
_cell_volume                     671.3(2)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.514
_cod_database_code               8101274
Crystal structure of rubidium guanidinium zirconium bis(nitrilotriacetate) dihydrate, Rb(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · 2H~2~O
Haussühl, Eiken; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 373–374; doi:

data_8101275
_publ_section_title
;
Crystal structure of rubidium guanidinium zirconium bis(nitrilotriacetate) 
dihydrate, Rb(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ &#x00B7; 2H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_page_last               374
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C13 H22 N5 O14 Rb Zr'
_chemical_formula_weight         649.05
_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                 113.530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.956(2)
_cell_length_b                   11.208(2)
_cell_length_c                   10.615(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1086.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_meas      1.982(2)
_exptl_crystal_density_meas_temp 293
_cod_depositor_comments
;
The following automatic conversions were performed:

Tag '_exptl_crystal_density_meas' value '1.982(2) at 293 K' was
modified to '1.982(2)'. New tag '_exptl_crystal_density_meas_temp'
was created. The value of new tag set to - '293'.

Automatic conversion script
Id: cif_fix_values 3130 2015-03-20 13:55:49Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101275
Redetermination of the crystal structure of bis(guanidinium) carbonato (ethylenediaminetetraacetato) zirconate tetrahydrate, (CN~3~H~6~)~2~ [Zr((CH~2~COO)~2~N(CH~2~)~2~N(CH~2~COO)~2~)CO~3~] · 4H~2~O
Haussühl, Eiken; Gramlich, Volker; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 375–376; doi:

data_8101276
_publ_section_title
;
Redetermination of the crystal structure of bis(guanidinium) carbonato 
(ethylenediaminetetraacetato) zirconate tetrahydrate, (CN~3~H~6~)~2~
[Zr((CH~2~COO)~2~N(CH~2~)~2~N(CH~2~COO)~2~)CO~3~] &#x00B7; 4H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              375
_journal_page_last               376
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C13 H32 N8 O15 Zr'
_chemical_formula_weight         631.69
_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                 96.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.894(2)
_cell_length_b                   16.667(3)
_cell_length_c                   16.907(3)
_cell_measurement_temperature    298(2)
_cell_volume                     2492.4(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.683
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101276
Crystal structure of bis(phenanthroline-κ^2^N,N')propanedionato- κ^2^O,O'-manganese(II) ethanol solvate, C~27~H~18~N~4~O~4~Mn · CH~3~CH~2~OH
Wang, Ze-Xin; Zhou, Xin-Hong; Yu, Wen-Tao; Fu, You-Jun; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 423–424; doi:

data_8101277
_publ_section_title
;
Crystal structure of bis(phenanthroline-\k^2^N,N')propanedionato-
\k^2^O,O'-manganese(II) ethanol solvate, C~27~H~18~N~4~O~4~Mn 
&#x00B7; CH~3~CH~2~OH
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              423
_journal_page_last               424
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C27H18N4O4MN CH3CH2OH'
_chemical_formula_structural     'C27 H18 N4 O4 Mn  . C H3 CH2 OH'
_chemical_formula_sum            'C29 H24 Mn N4 O5'
_chemical_formula_weight         563.46
_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                87.408(5)
_cell_angle_beta                 83.313(5)
_cell_angle_gamma                66.373(4)
_cell_formula_units_Z            2
_cell_length_a                   9.5971(6)
_cell_length_b                   11.4837(7)
_cell_length_c                   12.8316(9)
_cell_measurement_temperature    295(2)
_cell_volume                     1286.81(14)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.452
_cod_depositor_comments
;
 Correcting the _chemical_formula_sum data item value by changing it from
 'C29 H23 Mn N4 O5' to 'C29 H23 Mn N4 O5'.

 Antanas Vaitkus,
 2017-09-10

 Marking disorder assemblies after consulting the original publication.
 Atoms 'C2'A' and 'C2'B' were marked as belonging to disorder groups '1'
 and '2' of disorder assembly A. Atoms 'O1'A' and 'O1'B' were marked as
 belonging to disorder groups '1' and '2' of disorder assembly B.

 Antanas Vaitkus,
 2017-09-10

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-09-10

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        'C29 H23 Mn N4 O5'
_cod_database_code               8101277
Crystal structure of cadmium mercury tetrathiocyanate (glycol monomethyl ether), C~7~H~8~CdHgN~4~O~2~S~4~
Zhou, Mei; Yu, Wen Tao; Xu, Dong; Guo, Shi Yi; Lu, Meng Kai; Yuan, Duo Rong; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 425–426; doi:

data_8101278
_publ_section_title
;
Crystal structure of cadmium mercury tetrathiocyanate (glycol monomethyl 
ether), C~7~H~8~CdHgN~4~O~2~S~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              425
_journal_page_last               426
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C7 H8 Cd Hg N4 O2 S4'
_chemical_formula_sum            'C7 H8 Cd Hg N4 O2 S4'
_chemical_formula_weight         621.40
_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            4
_cell_length_a                   16.4319(18)
_cell_length_b                   7.3794(9)
_cell_length_c                   13.4711(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1633.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.523
_cod_database_code               8101278
Crystal structure of bis(dimethylsulfoxide) dinitrato dioxo uranium(VI), UO~2~(NO~3~)~2~[(CH~3~)~2~SO]~2~
Saßmannshausen, Markus; Lutz, Heinz Dieter; Zazhogin, Alexandre; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 427–428; doi:

data_8101279
_publ_section_title
;
Crystal structure of bis(dimethylsulfoxide) dinitrato dioxo uranium(VI), 
UO~2~(NO~3~)~2~[(CH~3~)~2~SO]~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              427
_journal_page_last               428
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'U O2 (N O3)2 2(C H3)2 S O'
_chemical_formula_sum            'C4 H12 N2 O10 S2 U'
_chemical_formula_weight         550.31
_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                 117.78(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.781(8)
_cell_length_b                   5.974(3)
_cell_length_c                   15.361(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1443.6(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.532
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8101279