LMucko/crystallography-open-database huggingface dataset:
Crystal structure of trimethylbenzylammonium hexachloroniobate(V), [(CH~3~)~3~C~7~H~7~N][NbCl~6~]
Tinant, Bernard; Bayot, Daisy; Devillers, Michel; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 381–382; doi:

data_8100159
_publ_section_title
;
Crystal structure of trimethylbenzylammonium hexachloroniobate(V), 
[(CH~3~)~3~C~7~H~7~N][NbCl~6~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              381
_journal_page_last               382
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C10 H16 Cl6 N Nb'
_chemical_formula_weight         455.84
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.246(3)
_cell_length_b                   13.104(5)
_cell_length_c                   16.142(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1744.2(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.736
_cod_database_code               8100159
Crystal structure of 4-chloro-N-[2-(5-methyl-4,6-dioxo-3-phenyl-hexahydro- pyrrolo-[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide, C~20~H~20~ClN~3~O~5~S
Dondas, H. Ali; Arslan, Hakan; Thornton-Pett, Mark; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 363–364; doi:

data_8100160
_publ_section_title
;
Crystal structure of 4-chloro-N-[2-(5-methyl-4,6-dioxo-3-phenyl-hexahydro-
pyrrolo-[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide, 
C~20~H~20~ClN~3~O~5~S
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              363
_journal_page_last               364
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C20 H20 Cl N3 O5 S'
_chemical_formula_sum            'C20 H20 Cl N3 O5 S'
_chemical_formula_weight         449.90
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   39.856(4)
_cell_length_b                   19.0577(12)
_cell_length_c                   10.5849(8)
_cell_measurement_temperature    160(2)
_cell_volume                     8039.8(12)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.487
_refine_ls_R_factor_obs          0.0606
_refine_ls_wR_factor_obs         0.1726
_cod_database_code               8100160
Crystal structure of (η^7^-2,4,6-cycloheptatrien-1-ylium)(η^5^-1,2,3,4,5- pentamethyl-2,4-cyclopentadien-1-yl)chromium(I) hexafluorophosphate, [Cr(C~7~H~7~)(C~10~H~15~)][PF~6~]
Hradsky, Andreas; Kopacka, Holger; Bildstein, Benno; Wurst, Klaus; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 371–372; doi:

data_8100161
_publ_section_title
;
Crystal structure of (\h^7^-2,4,6-cycloheptatrien-1-ylium)(\h^5^-1,2,3,4,5-
pentamethyl-2,4-cyclopentadien-1-yl)chromium(I) hexafluorophosphate, 
[Cr(C~7~H~7~)(C~10~H~15~)][PF~6~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              371
_journal_page_last               372
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C17 H22 Cr F6 P'
_chemical_formula_weight         423.32
_space_group_IT_number           40
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9186(9)
_cell_length_b                   15.6388(4)
_cell_length_c                   7.2709(3)
_cell_measurement_temperature    213(2)
_cell_volume                     1810.07(13)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.553
_cod_database_code               8100161
Crystal structure of 1-adamantylammonium 4-nitrophenolate hydrate, (C~10~H~15~NH~3~)(OC~6~H~4~NO~2~) · H~2~O
Guo, Wen-Sheng; Guo, Fang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 383–384; doi:

data_8100162
_publ_section_title
;
Crystal structure of 1-adamantylammonium 4-nitrophenolate hydrate, 
(C~10~H~15~NH~3~)(OC~6~H~4~NO~2~) &#x00B7; H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              383
_journal_page_last               384
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C6 H5 N O3, C10 H17 N, H2 O'
_chemical_formula_sum            'C16 H24 N2 O4'
_chemical_formula_weight         308.37
_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                 94.77(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.433(4)
_cell_length_b                   11.366(2)
_cell_length_c                   22.406(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1632.4(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.255
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100162
Crystal structure of E-benzaldehyde O-benzoyloxime, C~14~H~11~NO~2~
Altinbas, Ozgul; Dondas, H. Ali; Arslan, Hakan; Kulcu, Nevzat; Killner, Colin; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 379–380; doi:

data_8100163
_publ_section_title
;
Crystal structure of E-benzaldehyde O-benzoyloxime, C~14~H~11~NO~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              379
_journal_page_last               380
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C14 H11 N O2'
_chemical_formula_weight         225.24
_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                   5.9386(2)
_cell_length_b                   8.8513(3)
_cell_length_c                   21.5491(9)
_cell_measurement_temperature    150(2)
_cell_volume                     1132.71(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.321
_cod_database_code               8100163
Crystal structure of ethyl (1S,7R,11R,4'S)-benzo[4,5]-11-(2',2'-dimethyl- 1',3'-dioxolan-4'-yl)-10-oxotricyclo[5.3.1.0^2,6^]undec-2(6)-ene-1- carboxylate, C~23~H~26~O~5~
Peters, K.; Peters, E.-M.; Zahn, G.; Gutke, H.-J.; Spitzner, D.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 365–367; doi:

data_8100164
_publ_section_title
;
Crystal structure of ethyl (1S,7R,11R,4'S)-benzo[4,5]-11-(2',2'-dimethyl-
1',3'-dioxolan-4'-yl)-10-oxotricyclo[5.3.1.0^2,6^]undec-2(6)-ene-1-
carboxylate, C~23~H~26~O~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              365
_journal_page_last               367
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C23 H26 O5'
_chemical_formula_weight         382.44
_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                 98.390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.592(2)
_cell_length_b                   18.188(3)
_cell_length_c                   10.777(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2053.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.237
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100164
Crystal structure of aquabis(imidazole)(μ-pimelato-O,O')copper (II), Cu(C~3~H~4~N~2~)~2~(C~7~H~10~O~4~)(H~2~O)
Ying, Er-Bo; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 423–424; doi:

data_8100165
_publ_section_title
;
Crystal structure of aquabis(imidazole)(\m-pimelato-O,O')copper
(II), Cu(C~3~H~4~N~2~)~2~(C~7~H~10~O~4~)(H~2~O)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              423
_journal_page_last               424
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         Cu(C~3~H~4~N~2~)~2~(H~2~O)(C~7~H~10~O~4~)
_chemical_formula_sum            'C13 H20 Cu N4 O5'
_chemical_formula_weight         375.87
_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                 99.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.312(2)
_cell_length_b                   10.816(2)
_cell_length_c                   14.522(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1599.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.561
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100165
Crystal structure of aqua-carbonato-(2,9-dimethyl-1,10-phenanthroline- N,N')copper(II) dihydrate, [Cu(C~14~H~12~N~2~)(H~2~O)(CO~3~)] · 2H~2~O
Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 429–430; doi:

data_8100166
_publ_section_title
;
Crystal structure of aqua-carbonato-(2,9-dimethyl-1,10-phenanthroline-
N,N')copper(II) dihydrate, [Cu(C~14~H~12~N~2~)(H~2~O)(CO~3~)] &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              429
_journal_page_last               430
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety
'[Cu(C~12~H~8~N~2~)(H~2~O)(CO~3~)] &#x00B7; 2H~2~O'
_chemical_formula_sum            'C15 H18 Cu N2 O6'
_chemical_formula_weight         385.85
_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                 90.760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.417(2)
_cell_length_b                   17.813(3)
_cell_length_c                   6.9500(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1537.1(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.667
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100166
Crystal structure of diaquadipimelatobis(1,10-phenanthroline-N,N') di[zinc(II),manganese(II)] dihydrate, [(Zn~0.7~Mn~0.3~)~2~(H~2~O)~2~ (C~12~H~8~N~2~)~2~(C~7~H~10~O~4~)~2~] · 2H~2~O
Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 427–428; doi:

data_8100167
_publ_section_title
;
Crystal structure of diaquadipimelatobis(1,10-phenanthroline-N,N')
di[zinc(II),manganese(II)] dihydrate, [(Zn~0.7~Mn~0.3~)~2~(H~2~O)~2~
(C~12~H~8~N~2~)~2~(C~7~H~10~O~4~)~2~] &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              427
_journal_page_last               428
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C38 H44 Mn0.6 N4 O12 Zn1.4'
_chemical_formula_weight         873.25
_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                67.800(10)
_cell_angle_beta                 72.320(10)
_cell_angle_gamma                72.880(10)
_cell_formula_units_Z            1
_cell_length_a                   9.516(2)
_cell_length_b                   10.385(2)
_cell_length_c                   11.574(2)
_cell_measurement_temperature    293(2)
_cell_volume                     987.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.468
_cod_original_formula_sum        'C38 H44 Mn0.60 N4 O12 Zn1.40'
_cod_database_code               8100167
Crystal structure of catena-chlorobis(imidazole)(μ-imidazolato- N,N')copper(II), [Cu(Cl)(C~3~H~4~N~2~)~2~(C~3~H~3~N~2~)]
Lin, Jian-Li; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 431–432; doi:

data_8100168
_publ_section_title
;
Crystal structure of catena-chlorobis(imidazole)(\m-imidazolato-
N,N')copper(II), [Cu(Cl)(C~3~H~4~N~2~)~2~(C~3~H~3~N~2~)]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              431
_journal_page_last               432
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '[Cu(C~3~H~4~N~2~)~2~Cl(C~3~H~3~N~2~)]'
_chemical_formula_sum            'C9 H11 Cl Cu N6'
_chemical_formula_weight         302.23
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.733(3)
_cell_length_b                   6.1020(12)
_cell_length_c                   7.2520(15)
_cell_measurement_temperature    293(2)
_cell_volume                     607.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.652
_cod_original_formula_sum        'C9 H11 Cl1 Cu1 N6'
_cod_database_code               8100168
Crystal structure of dichloro-N-(3,4,5-trimethoxy-benzyl)-N-(n-butyl)]- imidazolidin-2-ylideneruthenium(II), RuCl~2~(C~17~H~26~N~2~O~3~)
Arslan, Hakan; VanDerveer, Donald; Özdemir, Ismail; Cetinkaya, Bekir; Demir, Serpil; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 377–378; doi:10.1524/ncrs.2004.219.14.409

data_8100169
_publ_section_title
;
Crystal structure of dichloro-N-(3,4,5-trimethoxy-benzyl)-N-(n-butyl)]-
imidazolidin-2-ylideneruthenium(II), RuCl~2~(C~17~H~26~N~2~O~3~)
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              377
_journal_page_last               378
_journal_paper_doi               10.1524/ncrs.2004.219.14.409
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C17 H26 Cl2 N2 O3 Ru'
_chemical_formula_sum            'C17 H26 Cl2 N2 O3 Ru'
_chemical_formula_weight         478.37
_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                 106.419(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1804(11)
_cell_length_b                   11.9848(13)
_cell_length_c                   16.0169(17)
_cell_measurement_temperature    193(2)
_cell_volume                     1874.5(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.695
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

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               8100169
Crystal structure of bis(1,10-phenanthroline)bis(3-methylbenzoato)- tetrakis[μ-(3-methylbenzoato-O,O')]didysprosium(III) hydrate (1:1.38), [Dy(C~8~H~7~O~2~)~3~(C~12~H~8~N~2~)]~2~ · 1.38H~2~O
Li, Xia; Zou, Ying-Quan; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 373–376; doi:

data_8100170
_publ_section_title
;
Crystal structure of bis(1,10-phenanthroline)bis(3-methylbenzoato)-
tetrakis[\m-(3-methylbenzoato-O,O')]didysprosium(III) hydrate 
(1:1.38), [Dy(C~8~H~7~O~2~)~3~(C~12~H~8~N~2~)]~2~ &#x00B7; 1.38H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              373
_journal_page_last               376
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C72 H60.76 Dy2 N4 O13.38'
_chemical_formula_weight         1521.00
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.925(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.978(5)
_cell_length_b                   18.526(6)
_cell_length_c                   22.547(7)
_cell_measurement_temperature    293(2)
_cell_volume                     6610(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.528
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               8100170
Crystal structure of 5,11,17,23-tetraacetyl 25,26,27,28-tetramethoxycalix [4]arene dioxane hemisolvate, C~40~H~40~O~8~ · 0.5C~4~H~8~O~2~
Mbemba, Cyrille; Neuman, Alain; Prangé, Thierry; Lecouvey, Marc; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 368–370; doi:

data_8100171
_publ_section_title
;
Crystal structure of 5,11,17,23-tetraacetyl 25,26,27,28-tetramethoxycalix
[4]arene dioxane hemisolvate, C~40~H~40~O~8~ &#x00B7; 0.5C~4~H~8~O~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              368
_journal_page_last               370
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C42 H44 O9'
_chemical_formula_weight         692.77
_chemical_name_common
;
para tetraacethyl tetramethoxy calix[4]arene,
 dioxane half-solvate
;
_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                 91.68(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.447(2)
_cell_length_b                   18.926(2)
_cell_length_c                   18.575(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3671.1(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.253
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100171
Crystal structure of bis(1,10-phenanthroline-N,N')(2-iodo-benzoato) lead(II) 2-iodo-benzoate dihydrate, [Pb(C~7~H~4~O~2~I)(C~12~H~8~N~2~)~2~] (C~7~H~4~O~2~I) · 2H~2~O
Zhang, Bi-Song; Ying, Tao-Kai; Cheng, Cun-Gui; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 483–484; doi:

data_8100172
_publ_section_title
;
Crystal structure of bis(1,10-phenanthroline-N,N')(2-iodo-benzoato)
lead(II) 2-iodo-benzoate dihydrate, [Pb(C~7~H~4~O~2~I)(C~12~H~8~N~2~)~2~]
(C~7~H~4~O~2~I) &#x00B7; 2H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              483
_journal_page_last               484
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C38 H28 I2 N4 O6 Pb'
_chemical_formula_weight         1097.66
_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                79.83(3)
_cell_angle_beta                 63.31(3)
_cell_angle_gamma                78.33(3)
_cell_formula_units_Z            2
_cell_length_a                   12.727(3)
_cell_length_b                   12.991(3)
_cell_length_c                   13.116(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1888.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.930
_cod_database_code               8100172
Crystal structure of aqua-chloro-bis(1,10-phenanthroline-N,N')manganese (II) 4-nitrobenzoate trihydrate, [Mn(H~2~O)(Cl)(C~12~H~8~N~2~)~2~] (C~7~H~4~NO~4~) · 3H~2~O
Zhang, Bi-Song; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 485–486; doi:

data_8100173
_publ_section_title
;
Crystal structure of aqua-chloro-bis(1,10-phenanthroline-N,N')manganese
(II) 4-nitrobenzoate trihydrate, [Mn(H~2~O)(Cl)(C~12~H~8~N~2~)~2~]
(C~7~H~4~NO~4~) &#x00B7; 3H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              485
_journal_page_last               486
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C31 H28 Cl Mn N5 O8'
_chemical_formula_weight         688.98
_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                103.40(3)
_cell_angle_beta                 92.63(3)
_cell_angle_gamma                104.58(3)
_cell_formula_units_Z            2
_cell_length_a                   10.897(2)
_cell_length_b                   11.841(2)
_cell_length_c                   12.871(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1553.9(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.473
_cod_original_formula_sum        'C31 H28 Cl1 Mn1 N5 O8'
_cod_database_code               8100173