Crystallography Open Database

Information card for entry 4338119

Preview

Coordinates	4338119.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	JBWW16
Formula	C28.5 H36 B Cl2 Co F2 I2 N7 O4.5
Calculated formula	C28.5 H33.5 B Cl2 Co F2 I2 N7 O4.5
Title of publication	Light-Driven Hydrogen Evolution by BODIPY-Sensitized Cobaloxime Catalysts.
Authors of publication	Bartelmess, Juergen; Francis, Aaron J.; El Roz, Karim A.; Castellano, Felix N.; Weare, Walter W.; Sommer, Roger D.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	9
Pages of publication	4527 - 4534
a	8.6647 ± 0.0004 Å
b	13.9199 ± 0.0005 Å
c	16.055 ± 0.0006 Å
α	101.352 ± 0.002°
β	102.329 ± 0.002°
γ	95.691 ± 0.002°
Cell volume	1834.49 ± 0.13 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4338119.cif
115757	2014-06-05	cif/ Updating files of 4338119, 4338120 Original log message: Adding full bibliography for 4338119--4338120.cif.	4338119.cif
109442	2014-04-13	cif/ Adding structures of 4338119 via cif-deposit CGI script.	4338119.cif