Crystallography Open Database

Information card for entry 4505085

Preview

Coordinates	4505085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Co N O9 P
Calculated formula	C6 H12 Co N O9 P
SMILES	[Co]12([n]3c(P(=O)(O2)O)cccc3C(=O)O1)([OH2])([OH2])[OH2].O
Title of publication	Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions
Authors of publication	Kong, Deyuan; Clearfield, Abraham
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	3
Pages of publication	1263
a	7.292 ± 0.004 Å
b	8.255 ± 0.004 Å
c	10.055 ± 0.005 Å
α	97.329 ± 0.008°
β	90.552 ± 0.008°
γ	100.293 ± 0.009°
Cell volume	590.3 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0829
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
179585 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/50.	4505085.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505085.cif
50152	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505085 via cif-deposit CGI script.	4505085.cif