LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis(4-aminobenzoato)aquacadmium dihydrate, [Cd (H~2~NC~6~H~4~COO)~2~(H~2~O)]~n~ · 2nH~2~O
Hauptmann, Ralf; Kondo, Mitsuru; Kitagawa, Susumu; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 169–170; doi:

data_8101207
_publ_section_title
;
Crystal structure of bis(4-aminobenzoato)aquacadmium dihydrate, [Cd
(H~2~NC~6~H~4~COO)~2~(H~2~O)]~n~ &#x00B7; 2nH~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              169
_journal_page_last               170
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[Cd(p-H2 N C6 H4 C O O)2(H2 O)]n . 2nH2O'
_chemical_formula_sum            'C28 H36 Cd2 N4 O14'
_chemical_formula_weight         877.43
_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                94.295(1)
_cell_angle_beta                 100.153(1)
_cell_angle_gamma                112.072(4)
_cell_formula_units_Z            1
_cell_length_a                   6.2028(7)
_cell_length_b                   8.253(1)
_cell_length_c                   17.592(2)
_cell_measurement_temperature    273.2
_cell_volume                     811.6(2)
_exptl_crystal_density_diffrn    1.795
_refine_ls_R_factor_obs          0.0444
_cod_database_code               8101207
Crystal structure of diisonicotinatotetraaquamanganese(II), [Mn(C~5~H~4~NCOO) ~2~(H~2~O)~4~]
Hauptmann, Ralf; Kondo, Mitsuru; Kitagawa, Susumu; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 171–172; doi:

data_8101208
_publ_section_title
;
Crystal structure of diisonicotinatotetraaquamanganese(II), [Mn(C~5~H~4~NCOO)
~2~(H~2~O)~4~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              171
_journal_page_last               172
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C12 H16 N2 Mn O8 '
_chemical_formula_structural     '[Mn(C5 H4 N C O O)2(H2 O)4]'
_chemical_formula_sum            'C12 H16 Mn N2 O8'
_chemical_formula_weight         371.25
_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                95.527(6)
_cell_angle_beta                 104.386(2)
_cell_angle_gamma                112.518(2)
_cell_formula_units_Z            1
_cell_length_a                   6.3973(6)
_cell_length_b                   6.941(1)
_cell_length_c                   9.336(1)
_cell_measurement_temperature    273.2
_cell_volume                     362.33(8)
_diffrn_ambient_temperature      273.2
_exptl_crystal_density_diffrn    1.701
_refine_ls_R_factor_obs          0.0408
_cod_original_formula_sum        'C12 H16 N2 Mn O8 '
_cod_database_code               8101208
Crystal structure of catena-poly[mono(μ-aqua)di(μ-acetato) cobalt(II)] monohydrate, [Co(CH~3~COO)~2~(H~2~O)] · H~2~O
Jiao, Xiang-Dong; Guzei, Ilia A.; Espenson, James H.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 173–174; doi:

data_8101209
_publ_section_title
;
Crystal structure of catena-poly[mono(\m-aqua)di(\m-acetato)
cobalt(II)] monohydrate, [Co(CH~3~COO)~2~(H~2~O)] &#x00B7; H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              173
_journal_page_last               174
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C4 H10 Co O6'
_chemical_formula_weight         213.05
_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                 108.5390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9948(6)
_cell_length_b                   6.4157(4)
_cell_length_c                   13.7402(9)
_cell_measurement_temperature    173(2)
_cell_volume                     751.77(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.882
_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/c'
_cod_database_code               8101209
Crystal structure of [3-(dimethylphenylsilyl)-6,6-dimethylbicyclo [3.1.1]hept-2-yl]methyl-toluene-4-sulfonate, C~25~H~34~O~3~Ssi
Tinant, Bernard; Declercq, Jean-Paul; Mathieu, Benoit; Ghosez, Leon; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 175–177; doi:

data_8101210
_publ_section_title
;
Crystal structure of [3-(dimethylphenylsilyl)-6,6-dimethylbicyclo
[3.1.1]hept-2-yl]methyl-toluene-4-sulfonate, C~25~H~34~O~3~Ssi
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              175
_journal_page_last               177
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C25 H34 O3 S Si'
_chemical_formula_weight         442.67
_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                 97.780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.054(2)
_cell_length_b                   6.4860(10)
_cell_length_c                   24.040(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2480.2(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.186
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101210
Crystal structure of di-μ-chlorobis(tetrahydrofurano)lithium bis(tetrahydrofurano)dichlorochromate, (THF)~2~Li(μ-Cl)~2~Cr (THF)~2~Cl~2~
Rabe, Gerd W.; Rheingold, A. L.; Incarvito, C. D.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 181–182; doi:

data_8101211
_publ_section_title
;
Crystal structure of di-\m-chlorobis(tetrahydrofurano)lithium 
bis(tetrahydrofurano)dichlorochromate, (THF)~2~Li(\m-Cl)~2~Cr
(THF)~2~Cl~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              181
_journal_page_last               182
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '(THF)2 Li(\m-Cl)2 Cr(THF)2 Cl2'
_chemical_formula_sum            'C16 H32 Cl4 Cr Li O4'
_chemical_formula_weight         489.16
_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                 95.954(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.467(3)
_cell_length_b                   10.326(3)
_cell_length_c                   16.633(3)
_cell_measurement_temperature    241(2)
_cell_volume                     2300.5(9)
_diffrn_ambient_temperature      241(2)
_exptl_crystal_density_diffrn    1.412
_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 2/c'
_cod_database_code               8101211
Crystal structure of tetrakis(1,3,5-triammonio-1,3,5-trideoxy-cis- inositol) decachloride hexachloroplatinate hexahydrate, (H~3~taci) ~4~[PtCl~6~]Cl~10~ · 6H~2~O, two different forms of (H~3~taci)^3+ ^ in one crystal
Gencheva, G.; Bontchev, P. R.; Sander, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 183–185; doi:

data_8101212
_publ_section_title
;
Crystal structure of tetrakis(1,3,5-triammonio-1,3,5-trideoxy-cis-
inositol) decachloride hexachloroplatinate hexahydrate, (H~3~taci)
~4~[PtCl~6~]Cl~10~ &#x00B7; 6H~2~O, two different forms of (H~3~taci)^3+
^ in one crystal
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              183
_journal_page_last               185
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '(H3 taci)4 [PtCl6] Cl10 ^.^6H2 O'
_chemical_formula_sum            'C24 H84 Cl16 N12 O18 Pt'
_chemical_formula_weight         1591.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.57(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.057(3)
_cell_length_b                   8.669(2)
_cell_length_c                   22.840(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2920.7(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.809
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101212
Crystal structure of ethylenediammonium hydrogenphosphite, (C~2~N~2~H~8~) (H~3~PO~3~)~2~
Fleck, Michel; Tillmanns, Ekkehart; Haussühl, Siegfried; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 109–110; doi:

data_8101213
_publ_section_title
;
Crystal structure of ethylenediammonium hydrogenphosphite, (C~2~N~2~H~8~)
(H~3~PO~3~)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              109
_journal_page_last               110
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C2 N2 H10 2+, 2 H2 P O3 -'
_chemical_formula_structural     '(C2 N2 H8)(H3 P O3)2'
_chemical_formula_sum            'C2 H14 N2 O6 P2'
_chemical_formula_weight         224.1
_chemical_name_common            'ethylenediammonium hydrogenphosphite'
_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                 102.072(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.7007(1)
_cell_length_b                   16.2044(7)
_cell_length_c                   6.3696(3)
_cell_measurement_temperature    293(2)
_cell_volume                     474.46(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.569
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101213
Crystal structure of 1,3,5-trideoxy-1,3,5-tris((2-pyridylmethyl)amino)- cis-inositolcobalt(III) bromide tetrahydrate, [Co(pmaci)]Br~3~ · ~4~H~2~O
Sander, J.; Hegetschweiler, K.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 186–188; doi:

data_8101214
_publ_section_title
;
Crystal structure of 1,3,5-trideoxy-1,3,5-tris((2-pyridylmethyl)amino)-
cis-inositolcobalt(III) bromide tetrahydrate, [Co(pmaci)]Br~3~ &#x00B7; 
~4~H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              186
_journal_page_last               188
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[Co(pmaci)]Br3^.^ 4 H2 O'
_chemical_formula_sum            'C24 H38 Br3 Co N6 O7'
_chemical_formula_weight         821.26
_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                105.11(3)
_cell_angle_beta                 97.49(3)
_cell_angle_gamma                98.93(3)
_cell_formula_units_Z            2
_cell_length_a                   8.968(2)
_cell_length_b                   10.071(2)
_cell_length_c                   17.722(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1501.8(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.816
_cod_database_code               8101214
Crystal structure of 1,3,5-triacetyl-2,4-dioxohexahydro-1,3,5-triazine, (CH~3~CO)~3~C~3~H~2~N~3~O~2~
Klepp, Kurt O.; Staehr, Monika; Schmidt, Harald; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 151–152; doi:

data_8101215
_publ_section_title
;
Crystal structure of 1,3,5-triacetyl-2,4-dioxohexahydro-1,3,5-triazine, 
(CH~3~CO)~3~C~3~H~2~N~3~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              151
_journal_page_last               152
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '(C H3 C O)3 C3 H2 N3 O2'
_chemical_formula_sum            'C9 H11 N3 O5'
_chemical_formula_weight         241.21
_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
_cell_angle_beta                 118.84(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4.00
_cell_length_a                   9.135(3)
_cell_length_b                   14.269(1)
_cell_length_c                   9.318(4)
_cell_measurement_temperature    294
_cell_volume                     1064(1)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.51
_refine_ls_R_factor_obs          0.035
_refine_ls_wR_factor_obs         0.033
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101215
Crystal structure of 1,6-dibromo-2-phenyl-1,2-diselenaacenaphthylene, BrSe(C~10~H~5~Br)Se(C~6~H~5~)
Horn, Ernst; Nakahodo, Tsukasa; Furukawa, Naomichi; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 23–24; doi:

data_8101216
_publ_section_title
;
Crystal structure of 1,6-dibromo-2-phenyl-1,2-diselenaacenaphthylene, 
BrSe(C~10~H~5~Br)Se(C~6~H~5~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              23
_journal_page_last               24
_journal_volume                  215
_journal_year                    2000
_chemical_formula_analytical     'C32 H20 Br4 Se4'
_chemical_formula_moiety         'C16 H10 Br2 Se2'
_chemical_formula_structural     'BrSe(C10 H5 Br)Se(C6 H5)'
_chemical_formula_sum            'C32 H20 Br4 Se4'
_chemical_formula_weight         1039.96
_chemical_name_common            dibromodiselenide
_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                93.03(1)
_cell_angle_beta                 103.10(1)
_cell_angle_gamma                86.51(1)
_cell_formula_units_Z            4
_cell_length_a                   11.418(2)
_cell_length_b                   16.676(3)
_cell_length_c                   8.5170(9)
_cell_measurement_temperature    296.2
_cell_volume                     1575.3(4)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    2.175
_refine_ls_R_factor_obs          0.0400
_refine_ls_wR_factor_obs         0.0440
_cod_database_code               8101216
Crystal structure of tetrakis(3-methylpyrazole)iron(II) sulphate, C~16~H~24~FeN~8~O~4~S
Dittmar, Heinrich; Böhn, Karlheinz; Walker, Nigel; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 189–190; doi:

data_8101217
_publ_section_title
;
Crystal structure of tetrakis(3-methylpyrazole)iron(II) sulphate, 
C~16~H~24~FeN~8~O~4~S
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              189
_journal_page_last               190
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C16 H24 Fe N8 O4 S'
_chemical_formula_weight         480.34
_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                97.910(10)
_cell_angle_beta                 109.970(10)
_cell_angle_gamma                100.680(10)
_cell_formula_units_Z            2
_cell_length_a                   9.101(2)
_cell_length_b                   10.162(2)
_cell_length_c                   13.066(2)
_cell_measurement_temperature    203(2)
_cell_volume                     1089.3(4)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.464
_refine_ls_R_factor_obs          0.0436
_refine_ls_wR_factor_obs         0.1029
_cod_database_code               8101217
Crystal structure of dipyridinium tetrachlorozincate, [C~5~H~6~N]~2~ [ZnCl~4~]
Blachnik, Roger; Reuter, Hans; Gather, Marianne; Eickmeier, Henning; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 93–94; doi:

data_8101218
_publ_section_title
;
Crystal structure of dipyridinium tetrachlorozincate, [C~5~H~6~N]~2~
[ZnCl~4~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              93
_journal_page_last               94
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[C5 H6 N]2 [Zn Cl4]'
_chemical_formula_sum            'C10 H12 Cl4 N2 Zn'
_chemical_formula_weight         367.39
_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                89.042(17)
_cell_angle_beta                 83.44(2)
_cell_angle_gamma                79.710(19)
_cell_formula_units_Z            2
_cell_length_a                   7.595(2)
_cell_length_b                   8.0214(17)
_cell_length_c                   12.538(3)
_cell_measurement_temperature    223(2)
_cell_volume                     746.6(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.634
_cod_database_code               8101218
Crystal structure of L-argininium hexafluorovanadate trihydrate, (C~6~H~15~N~4~O~2~)~3~VF~6~ · 3H~2~O
Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 178–180; doi:

data_8101219
_publ_section_title
;
Crystal structure of L-argininium hexafluorovanadate trihydrate, 
(C~6~H~15~N~4~O~2~)~3~VF~6~ &#x00B7; 3H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              178
_journal_page_last               180
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         '3(C6 H15 N4 O2), F6 V, 3(H2 O)'
_chemical_formula_structural     '(C6 H15 N4 O2)3 V F6 . 3(H2 O)'
_chemical_formula_sum            'C18 H51 F6 N12 O9 V'
_chemical_formula_weight         744.65
_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                 96.956(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.8049(15)
_cell_length_b                   9.0496(15)
_cell_length_c                   17.030(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1652.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.496
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101219
Crystal structure of dichloro(phenanthroline)pyridinecopper(II) pyridine solvate, CuCl~2~(C~12~H~8~N~2~)(C~5~H~5~N) · C~5~H~5~N
Barhács, László; Czaun, Miklós; Speier, Edit; Speier, Gábor; Noll, Bruce C.; Pierpont, Cortlandt G.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 193–194; doi:

data_8101220
_publ_section_title
;
Crystal structure of dichloro(phenanthroline)pyridinecopper(II) pyridine 
solvate, CuCl~2~(C~12~H~8~N~2~)(C~5~H~5~N) &#x00B7; C~5~H~5~N
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              193
_journal_page_last               194
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     '[Cu Cl2(C12 H8 N2)(C5 H5 N) . C5 H5 N]'
_chemical_formula_sum            'C22 H18 Cl2 Cu N4'
_chemical_formula_weight         472.84
_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                 94.09
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.20970(10)
_cell_length_b                   13.22630(10)
_cell_length_c                   15.0706(2)
_cell_measurement_temperature    153(2)
_cell_volume                     2029.91(4)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.547
_refine_ls_R_factor_obs          0.0254
_refine_ls_wR_factor_obs         0.0680
_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/c'
_cod_database_code               8101220