Crystallography Open Database

Information card for entry 1507915

Preview

Coordinates	1507915.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	monoRu
Formula	C49 H49 F18 N8 O4 P3 Ru
Calculated formula	C49 H49 F18 N8 O4 P3 Ru
SMILES	[Ru]123([n]4c5c6[n]1cccc6c1c(c5ccc4)n(c[n+]1CCCC)CCCC)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c4[n]3cccc4ccc2ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1CCOCC1.O.O
Title of publication	Ru(II)-M(I) (M = Rh and Ir) bimetallic complexes based on a bridging ligand composed of 1,10-phenanthroline and N-heterocyclic carbene: Coordination chemistry and detection property of carbon monoxide
Authors of publication	Park, Hee-Jun; Chung, Young Keun
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	105 - 113
a	13.6586 ± 0.0004 Å
b	14.2542 ± 0.0005 Å
c	17.7669 ± 0.0007 Å
α	101.268 ± 0.002°
β	105.102 ± 0.002°
γ	105.219 ± 0.002°
Cell volume	3090.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1233
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.3024
Weighted residual factors for all reflections included in the refinement	0.3244
Goodness-of-fit parameter for all reflections included in the refinement	1.329
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mok/a
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.	1507915.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507915.cif
62461	2012-07-09	cif/ Adding structures of 1507915 via cif-deposit CGI script.	1507915.cif