Crystallography Open Database

Information card for entry 1513015

Preview

Coordinates	1513015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 N3 O4 P2 Ru S
Calculated formula	C48 H42 N3 O4 P2 Ru S
Title of publication	A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes
Authors of publication	Soumik Mandal; Dipravath K. Seth; Parna Gupta
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	10 - 20
a	12.667 ± 0.0009 Å
b	12.937 ± 0.0009 Å
c	13.4361 ± 0.001 Å
α	89.007 ± 0.004°
β	68.689 ± 0.004°
γ	80.316 ± 0.004°
Cell volume	2019.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.289
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513015.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513015.cif
91341	2013-12-12	cif/ Adding structures of 1513015 via cif-deposit CGI script.	1513015.cif