Crystallography Open Database

Information card for entry 1520524

1520523 << 1520524 >> 1520525

Preview

Coordinates	1520524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H69 N6 O25 P2 Ru
Calculated formula	C53 H56 N6 O25 P2 Ru
Title of publication	Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design
Authors of publication	Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5531
a	21.3561 ± 0.0004 Å
b	19.4016 ± 0.0003 Å
c	14.9635 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6200.01 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520524.cif
170923	2015-12-09	cif/ Updating files of 1520524 Original log message: Adding full bibliography for 1520524.cif.	1520524.cif
139116	2015-06-12	cif/ Adding structures of 1520524 via cif-deposit CGI script.	1520524.cif