Crystallography Open Database

Information card for entry 4335528

Preview

Coordinates	4335528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 N4 O9.5 Ru2
Calculated formula	C48 H46 N4 O9.5 Ru2
Title of publication	A Diruthenium Complex of a "Nindigo" Ligand
Authors of publication	Prasenjit Mondal; Fabian Ehret; Martina Bubrin; Amit Das; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8467 - 8475
a	21.5351 ± 0.0004 Å
b	13.454 ± 0.0005 Å
c	16.2783 ± 0.0004 Å
α	90°
β	92.024 ± 0.002°
γ	90°
Cell volume	4713.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4335528.cif
101461	2014-02-14	cif/ Adding structures of 4335528 via cif-deposit CGI script.	4335528.cif