Crystallography Open Database

Information card for entry 4307973

Preview

Coordinates	4307973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H70 Co N O4 S4
Calculated formula	C54 H70 Co N O4 S4
Title of publication	Reversible, Electrochemically Controlled Binding of Phosphine to Iron and Cobalt Bis(dithiolene) Complexes
Authors of publication	Rongmin Yu; Kuppuswamy Arumugam; Ashok Manepalli; Yvon Tran; Russell Schmehl; Heiko Jacobsen; James P. Donahue
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5131 - 5133
a	33.495 ± 0.002 Å
b	9.3299 ± 0.0006 Å
c	16.7071 ± 0.0009 Å
α	90°
β	103.291 ± 0.006°
γ	90°
Cell volume	5081.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4307973.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307973.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307973.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307973.cif