Crystallography Open Database

Information card for entry 4303032

Preview

Coordinates	4303032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl Co F6 N6 O6 P
Calculated formula	C40 H31 Cl Co F6 N6 O6 P
SMILES	[Co]1234(Cl)[n]5ccccc5c5[n]1c(cc(c5)c1cccc(c1OCCCCNC(=O)c1ccc([n]4c1)c1[n]3cccc1)C(=O)OC)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].OC.OC
Title of publication	Syntheses of the Terpyridine-Bipyridine Linked Binary Ligands and Structural and Redox Properties of Their Cobalt Complexes
Authors of publication	Hiroki Kon; Toshi Nagata
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8593 - 8602
a	18.27 ± 0.014 Å
b	8.975 ± 0.007 Å
c	24.559 ± 0.019 Å
α	90°
β	95.662 ± 0.013°
γ	90°
Cell volume	4007 ± 5 Å³
Cell temperature	293.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7107 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.	4303032.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303032.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303032.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303032.cif