Crystallography Open Database

Information card for entry 8102682

Preview

Coordinates	8102682.cif

Structure parameters

Chemical name	triaqua-(4-hydroxypyridine-2,6-dicarboxy-N,O,O')- cobalt(II) ‒ ethanol ‒ water (1:0.25:1), [Co(C~7~H~3~NO~5~)(H~2~O)~3~].0.25(C~2~H~5~OH).(H~2~O)
Formula	C7.5 H12.5 Co N O9.25
Calculated formula	C7.5 H11 Co N O9.25
Title of publication	Crystal structure of triaqua(4-hydroxypyridine-2,6-dicarboxylato-N,O,O')cobalt(II) — ethanol — water (1:0.25:1), Co(H2O)3(C7H3NO5) · 0.25C2H5OH · H2O
Authors of publication	Jian-Ping Zou; Qiang Peng; Zhi-Min Huang; Qiu-Ju Xing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	315
a	14.5956 ± 0.001 Å
b	7.0542 ± 0.0005 Å
c	22.5702 ± 0.0015 Å
α	90°
β	91.729 ± 0.001°
γ	90°
Cell volume	2322.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102682.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102682.cif
13421	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102682 via cif-deposit CGI script.	8102682.cif