Crystallography Open Database

Information card for entry 1517422

Preview

Coordinates	1517422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N7
Calculated formula	C19 H27 N7
SMILES	n1c(N2CCCN3CCCN=C23)cccc1N1CCCN2CCCN=C12
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	16.6894 ± 0.0003 Å
b	13.1912 ± 0.0002 Å
c	17.1396 ± 0.0003 Å
α	90°
β	107.752 ± 0.001°
γ	90°
Cell volume	3593.67 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.0817
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1517422.cif
126319	2014-11-06	cif/ Updating files of 1517422, 1517423, 1517424, 1517425, 1517426 Original log message: Adding full bibliography for 1517422--1517426.cif.	1517422.cif
122423	2014-08-23	cif/ Adding structures of 1517422, 1517423, 1517424, 1517425, 1517426 via cif-deposit CGI script.	1517422.cif