Crystallography Open Database

Information card for entry 1517424

Preview

Coordinates	1517424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 F12 N10 O P2 Ru
Calculated formula	C44 H50 F12 N10 O P2 Ru
Title of publication	Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles
Authors of publication	Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	12
Pages of publication	4800
a	8.5139 ± 0.0002 Å
b	13.5117 ± 0.0004 Å
c	21.1951 ± 0.0006 Å
α	96.631 ± 0.001°
β	94.882 ± 0.001°
γ	106.466 ± 0.001°
Cell volume	2304.75 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0347
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1517424.cif
126319	2014-11-06	cif/ Updating files of 1517422, 1517423, 1517424, 1517425, 1517426 Original log message: Adding full bibliography for 1517422--1517426.cif.	1517424.cif
122423	2014-08-23	cif/ Adding structures of 1517422, 1517423, 1517424, 1517425, 1517426 via cif-deposit CGI script.	1517424.cif