Crystallography Open Database

Information card for entry 8102719

Preview

Coordinates	8102719.cif

Structure parameters

Chemical name	penta-aqua-(pyridine-3-carboxamide-N)cobalt(ii) 1,5-Naphthalenedisulfonate monohydrate
Formula	C16 H24 Co N2 O13 S2
Calculated formula	C16 H24 Co N2 O13 S2
Title of publication	Crystal structure of pentaaqua(pyridine-3-carboxamide-N)cobalt(II) 1,5-naphthalenedisulfonate monohydrate, [Co(H2O)5(C6H6N2O)](C10H6S2O6) · H2O
Authors of publication	Zhaoxun Lian; Ning Zhao; Ping Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	371
a	9.9544 ± 0.0011 Å
b	10.2775 ± 0.0012 Å
c	11.6748 ± 0.0014 Å
α	95.579 ± 0.002°
β	106.855 ± 0.002°
γ	94.513 ± 0.002°
Cell volume	1130.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176728 (current)	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.	8102719.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102719.cif
13458	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102719 via cif-deposit CGI script.	8102719.cif