Crystallography Open Database

Information card for entry 1517423

Preview

Coordinates	1517423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H78 F12 N10 O6 P2 Ru
Calculated formula	C40 H42 F12 N10 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	40.9186 ± 0.0005 Å
b	12.999 ± 0.0002 Å
c	19.2466 ± 0.0002 Å
α	90°
β	116.184 ± 0.001°
γ	90°
Cell volume	9186.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0472
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1517423.cif
126319	2014-11-06	cif/ Updating files of 1517422, 1517423, 1517424, 1517425, 1517426 Original log message: Adding full bibliography for 1517422--1517426.cif.	1517423.cif
122423	2014-08-23	cif/ Adding structures of 1517422, 1517423, 1517424, 1517425, 1517426 via cif-deposit CGI script.	1517423.cif