LMucko/crystallography-open-database huggingface dataset:
Crystal structure of (O-ethyldithiocarbonato)(triphenylphosphine)gold (I), (C~6~H~5~)~3~PAu(S~2~COC~4~H~9~)
Ho, S. Y.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 71–72; doi:

data_8100029
_publ_section_title
;
Crystal structure of (O-ethyldithiocarbonato)(triphenylphosphine)gold
(I), (C~6~H~5~)~3~PAu(S~2~COC~4~H~9~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              71
_journal_page_last               72
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     'C23 H24 Au1 O1 P1 S2'
_chemical_formula_sum            'C23 H24 Au O P S2'
_chemical_formula_weight         608.48
_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
_cell_angle_beta                 125.554(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.5809(14)
_cell_length_b                   13.7153(8)
_cell_length_c                   17.1823(10)
_cell_measurement_temperature    183(2)
_cell_volume                     4521.1(5)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.788
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C23 H24 Au1 O1 P1 S2'
_cod_database_code               8100029
Crystal structure of (triphenylphosphine)(pyrrolinedithiocarbamato) gold(I), (C~6~H~5~)~3~PAu(S~2~CNC~4~H~8~)
Ho, S. Y.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 73–74; doi:

data_8100030
_publ_section_title
;
Crystal structure of (triphenylphosphine)(pyrrolinedithiocarbamato)
gold(I), (C~6~H~5~)~3~PAu(S~2~CNC~4~H~8~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              73
_journal_page_last               74
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     'C23 H23 Au1 N1 P1 S2'
_chemical_formula_sum            'C23 H23 Au N P S2'
_chemical_formula_weight         605.48
_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                73.492(2)
_cell_angle_beta                 86.641(2)
_cell_angle_gamma                88.638(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5243(10)
_cell_length_b                   9.8224(11)
_cell_length_c                   13.8147(16)
_cell_measurement_temperature    183(2)
_cell_volume                     1107.1(2)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.816
_cod_original_formula_sum        'C23 H23 Au1 N1 P1 S2'
_cod_database_code               8100030
Crystal structure of sodium caesium tetrahydrogen-tetraborate tetrahydrate, NaCs[B~4~O~5~(OH)~4~] · 4 H~2~O
Zhou, J.-G. Lanz; Zhao, F.-Y.; Xia, S.-P.; Yang, L.; Lu, Y.; Wang, J.-J.; Gao, S.-Y.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 1–2; doi:10.1524/ncrs.2004.219.14.1

data_8100031
_publ_section_title
;
Crystal structure of sodium caesium tetrahydrogen-tetraborate tetrahydrate, 
NaCs[B~4~O~5~(OH)~4~] &#x00B7; 4 H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              1
_journal_page_last               2
_journal_paper_doi               10.1524/ncrs.2004.219.14.1
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     'NaCs[B4 O5 (OH)4] &#x00B7; 4H2 O'
_chemical_formula_sum            'B4 Cs H12 Na O13'
_chemical_formula_weight         419.24
_chemical_name_common            NaCs[B~4~O~5~(OH)~4~].4H~2~O
_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                 92.11(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.240(1)
_cell_length_b                   11.493(1)
_cell_length_c                   12.900(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1220.8(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.281
_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_original_formula_sum        'H12 B4 Cs1 Na1 O13'
_cod_database_code               8100031
Refinement of the crystal structure of zirconium monobismuthide, ZrBi
Boström, Magnus; Prots, Yurii; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 3–4; doi:

data_8100032
_publ_section_title
;
Refinement of the crystal structure of zirconium monobismuthide, ZrBi
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              3
_journal_page_last               4
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'Bi Zr'
_chemical_formula_weight         300.2
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   3.858(2)
_cell_length_b                   10.770(2)
_cell_length_c                   14.325(3)
_cell_measurement_temperature    293
_cell_volume                     595.2(4)
_diffrn_ambient_temperature      293.1500
_exptl_crystal_density_diffrn    10.047
_refine_ls_goodness_of_fit_gt    2.96
_cod_database_code               8100032
Crystal structure of a mixed dicalcium ferrite, Ca~2~Fe~1.66~V~0.34~O~5~
Harringer, N. A.; Presslinger, H.; Klepp, K. O.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 5–6; doi:

data_8100033
_publ_section_title
;
Crystal structure of a mixed dicalcium ferrite, Ca~2~Fe~1.66~V~0.34~O~5~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              5
_journal_page_last               6
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'Ca2 Fe1.66 O5 V0.34 '
_chemical_formula_sum            'Ca2 Fe1.66 O5 V0.34'
_chemical_formula_weight         270.18
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4171(6)
_cell_length_b                   14.774(4)
_cell_length_c                   5.584(2)
_cell_measurement_temperature    294.1
_cell_volume                     446.9(2)
_exptl_crystal_density_diffrn    4.015
_cod_original_formula_sum        'Ca2 Fe1.66 O5 V0.34 '
_cod_database_code               8100033
Crystal structure of trithallium-pentabromopalladate(II), Tl~3~PdBr~5~
Heines, Peter; Duchâteau, Manfred; Keller, Hans-Lothar; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 7–8; doi:

data_8100034
_publ_section_title
;
Crystal structure of trithallium-pentabromopalladate(II), Tl~3~PdBr~5~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              7
_journal_page_last               8
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'Br4 Pd Tl, Br Tl, Tl'
_chemical_formula_structural     Tl3PdBr5
_chemical_formula_sum            'Br5 Pd Tl3'
_chemical_formula_weight         1119.06
_chemical_name_common            thallium-pentabromopalladate
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.8226(16)
_cell_length_b                   16.812(3)
_cell_length_c                   17.299(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2275.1(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.534
_cod_original_formula_sum        'Br5 Pd1 Tl3'
_cod_database_code               8100034
Crystal structure of di(tetramethylammonium)tetrachloropalladate(II), [N(CH~3~)~4~]~2~[PdCl~4~]
Heines, Peter; Keller, Hans-Lothar; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 9–10; doi:

data_8100035
_publ_section_title
;
Crystal structure of di(tetramethylammonium)tetrachloropalladate(II), 
[N(CH~3~)~4~]~2~[PdCl~4~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              9
_journal_page_last               10
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '[N(CH~3~)~4~]~2~[PdCl~4~]'
_chemical_formula_structural     '[PdCl4] [N(CH3)4]2'
_chemical_formula_sum            'C8 H24 Cl4 N2 Pd'
_chemical_formula_weight         396.49
_chemical_name_common            di(tetramethylammonium)tetrachloropallate(II)
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8287(2)
_cell_length_b                   8.8287(2)
_cell_length_c                   11.4264(3)
_cell_measurement_temperature    293(2)
_cell_volume                     890.64(4)
_diffrn_ambient_temperature      293(2)
_cod_depositor_comments
;
 Correcting the _chemical_formula_sum data item value by changing it from
 'C16 H40 Cl4 N2 Pd' to 'C8 H24 Cl4 N2 Pd' after consulting the original
 publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'N2 C16 H40 Pd1 Cl4'
_cod_database_code               8100035
Crystal structure of lanthanum borocarbide, La~10~B~9~C~12~
Babizhetskyy, Volodymyr; Mattausch, Hansjürgen; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 11–12; doi:

data_8100036
_publ_section_title
;
Crystal structure of lanthanum borocarbide, La~10~B~9~C~12~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              11
_journal_page_last               12
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C12 B9 La10'
_chemical_formula_weight         1630.4
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6447(4)
_cell_length_b                   8.6447(4)
_cell_length_c                   25.787(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1927.1(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.6180(6)
_refine_ls_goodness_of_fit_gt    1.10
_cod_database_code               8100036
Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane-4,9,14- triol, C~9~H~18~O~3~S~6~
Sun, Yan-Qiu; Zahn, Gernot; Guo, Yue-Wei; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 121–123; doi:

data_8100037
_publ_section_title
;
Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane-4,9,14-
triol, C~9~H~18~O~3~S~6~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              121
_journal_page_last               123
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C9 H18 O3 S6'
_chemical_formula_sum            'C9 H18 O3 S6'
_chemical_formula_weight         366.59
_chemical_name_common
;
gymnorrhizol
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.4185(15)
_cell_length_b                   10.6391(9)
_cell_length_c                   17.4453(15)
_cell_measurement_temperature    293(2)
_cell_volume                     3232.9(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.506
_cod_database_code               8100037
Crystal structure of (–)-hardwickiic acid, C~19~H~27~OCOOH
Chaichantipyuth, C.; Muangsin, N.; Chaichit, N.; Roengsumran, S.; Petsom, A.; Watanabe, T.; Ishikawa, T.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 111–113; doi:

data_8100038
_publ_section_title
;
Crystal structure of (--)-hardwickiic acid, C~19~H~27~OCOOH
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              111
_journal_page_last               113
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C20 H28 O3'
_chemical_formula_weight         316.42
_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                 105.5220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0279(2)
_cell_length_b                   11.1076(3)
_cell_length_c                   17.0856(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1833.68(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.146
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100038
Crystal structure of 3-diphenylamino-benzo[de]anthracen-7-one, C~29~H~19~NO
Yu, Ming-Xin; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 114–116; doi:

data_8100039
_publ_section_title
;
Crystal structure of 3-diphenylamino-benzo[de]anthracen-7-one, C~29~H~19~NO
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              114
_journal_page_last               116
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C29 H19 N O'
_chemical_formula_weight         397.45
_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                 90.986(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.218(4)
_cell_length_b                   14.748(2)
_cell_length_c                   12.094(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4140.5(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.275
_cod_duplicate_entry             8100024
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100039
Crystal structure of diaqua-bis(pyrazole)-μ~2~-squarato(1,3) nickel(II), Ni(C~4~O~4~)(C~3~H~4~N)~2~(H~2~O)~2~
Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 135–136; doi:

data_8100040
_publ_section_title
;
Crystal structure of diaqua-bis(pyrazole)-\m~2~-squarato(1,3)
nickel(II), Ni(C~4~O~4~)(C~3~H~4~N)~2~(H~2~O)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              135
_journal_page_last               136
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '(Ni 2+), 2(C3 H4 N2), (C4 O4 2-), 2(H2 O)'
_chemical_formula_structural     '[Ni (C4 O4) (C3 H4 N2)2 (H2 O)2]'
_chemical_formula_sum            'C10 H12 N4 Ni O6'
_chemical_formula_weight         342.95
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.890(3)
_cell_length_b                   7.9087(15)
_cell_length_c                   14.664(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1378.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.652
_cod_database_code               8100040
Crystal structure of [9,22-(bisbutyloxy)hemiporphyrazinato]nickel(II), C~34~H~30~N~8~O~2~Ni
Haberroth, K.; Hanack, M.; Maichle-Mössmer, C.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 127–128; doi:

data_8100041
_publ_section_title
;
Crystal structure of [9,22-(bisbutyloxy)hemiporphyrazinato]nickel(II), 
C~34~H~30~N~8~O~2~Ni
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              127
_journal_page_last               128
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C34 H30 N8 Ni O2'
_chemical_formula_sum            'C34 H30 N8 Ni O2'
_chemical_formula_weight         641.35
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.10(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.048(4)
_cell_length_b                   4.7256(1)
_cell_length_c                   21.491(6)
_cell_measurement_temperature    293
_cell_volume                     1409.8
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.510
_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               8100041
_cod_duplicate_entry 8100025
Crystal structure of tetraaquatrisuccinatodierbium hexahydrate, Er~2~ (H~2~O)~4~(C~4~H~4~O~4~)~3~ · 6H~2~O
Sun, Jie; Zheng, Yue-Qing; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 99–100; doi:

data_8100042
_publ_section_title
;
Crystal structure of tetraaquatrisuccinatodierbium hexahydrate, Er~2~
(H~2~O)~4~(C~4~H~4~O~4~)~3~ &#x00B7; 6H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              99
_journal_page_last               100
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C12 H32 Er2 O22'
_chemical_formula_weight         862.90
_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                80.190(10)
_cell_angle_beta                 89.840(10)
_cell_angle_gamma                71.370(10)
_cell_formula_units_Z            1
_cell_length_a                   6.5170(10)
_cell_length_b                   9.7740(10)
_cell_length_c                   10.4660(10)
_cell_measurement_temperature    293(2)
_cell_volume                     621.53(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.305
_cod_database_code               8100042
Crystal structure of bis[di(1,10-phenanthroline)azidocopper(II)] biphenyl-4,4'- dicarboxylate pentahydrate, [Cu(C~12~H~8~N~2~)~2~N~3~]~2~(C~14~H~8~O~4~) · 5H~2~
Ye, Ming-De; Cheng, Ya-Qian; Li, Xin-Hua; Hu, Mao-Lin; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 165–167; doi:

data_8100043
_publ_section_title
;
Crystal structure of bis[di(1,10-phenanthroline)azidocopper(II)] biphenyl-4,4'-
dicarboxylate pentahydrate, 
[Cu(C~12~H~8~N~2~)~2~N~3~]~2~(C~14~H~8~O~4~) &#x00B7; 5H~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              165
_journal_page_last               167
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         '2(C24 H16 Cu N7), C14 H8 O4, 5(H2 O)'
_chemical_formula_sum            'C62 H50 Cu2 N14 O9'
_chemical_formula_weight         1262.24
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.150(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.7454(6)
_cell_length_b                   7.9119(3)
_cell_length_c                   22.3267(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2765.36(19)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.516
_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_Hall     -P2yac
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               8100043