Crystallography Open Database

Information card for entry 4505083

Preview

Coordinates	4505083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H25 N Ni1.5 O16 P
Calculated formula	C6 H25 N Ni1.5 O16 P
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	19.9519 ± 0.0018 Å
b	7.2218 ± 0.0006 Å
c	25.516 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3676.6 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505083.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505083.cif
50150	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505083 via cif-deposit CGI script.	4505083.cif