Crystallography Open Database

Information card for entry 8102109

Preview

Coordinates	8102109.cif
External links	PubChem

Structure parameters

Chemical name	diaqua-bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)cobalt(II) diperchlorate dihydrate 2,5-bis(2-pyridyl)-1,3,4-thiadiazole monosolvate
Formula	C36 H32 Cl2 Co N12 O12 S3
Calculated formula	C36 H32 Cl2 Co N12 O12 S3
Title of publication	Crystal structure of diaqua-bis(2,5-bis(2-pyridyl)-1,3,4-thiadiazole)- cobalt(II) diperchlorate 2,5-bis(2-pyridyl)-1,3,4-thiadiazole monosolvate dihydrate, [Co(H~2~O)~2~(C~12~H~8~N~4~S)~2~][ClO~4~]~2~ · C~12~H~8~N~4~S · 2H~2~O
Authors of publication	Wan, X.-S.; Ning, A.-M.; Hou, S.-C.; Niu, C.-Y.; Kou, C.-H.; Dang, Y.-L.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	2
Pages of publication	153 - 154
a	9.82 ± 0.002 Å
b	10.806 ± 0.002 Å
c	11.12 ± 0.002 Å
α	74.198 ± 0.002°
β	82.053 ± 0.002°
γ	69.88 ± 0.002°
Cell volume	1064.8 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1236
Residual factor for significantly intense reflections	0.1059
Weighted residual factors for significantly intense reflections	0.2726
Weighted residual factors for all reflections included in the refinement	0.2889
Goodness-of-fit parameter for all reflections included in the refinement	1.853
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8102109.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102109.cif
108257	2014-03-29	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102109.cif
108108	2014-03-27	cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other.	8102109.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102109.cif
12848	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102109 via cif-deposit CGI script.	8102109.cif