Crystallography Open Database

Information card for entry 7015551

Preview

Coordinates	7015551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 F24 N8 O P4 Ru
Calculated formula	C44 H38 F24 N8 O P4 Ru
Title of publication	Water-soluble alkylated bis{4'-(4-pyridyl)-2,2':6',2''-terpyridine}ruthenium(ii) complexes for use as photosensitizers in water oxidation: a complementary experimental and TD-DFT investigation.
Authors of publication	Constable, Edwin C.; Devereux, Michael; Dunphy, Emma L.; Housecroft, Catherine E.; Rudd, Jennifer A.; Zampese, Jennifer A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	20
Pages of publication	5505 - 5515
a	18.322 ± 0.004 Å
b	8.8509 ± 0.0018 Å
c	31.688 ± 0.006 Å
α	90°
β	95.16 ± 0.03°
γ	90°
Cell volume	5117.9 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7015551.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015551.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015551.cif
21189	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015551 via cif-deposit CGI script.	7015551.cif