Crystallography Open Database

Information card for entry 4334913

Preview

Coordinates	4334913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 Br4 Co2 N10 O3.5
Calculated formula	C53 H38 Br4 Co2 N10 O3.5
Title of publication	3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities
Authors of publication	Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6055 - 6061
a	12.4832 ± 0.0003 Å
b	12.6716 ± 0.00019 Å
c	17.8641 ± 0.0003 Å
α	78.7144 ± 0.0013°
β	72.7054 ± 0.0017°
γ	71.3303 ± 0.0016°
Cell volume	2540.22 ± 0.09 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0622
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4334913.cif
100798	2014-02-07	cif/ Adding structures of 4334913 via cif-deposit CGI script.	4334913.cif