Crystallography Open Database

Information card for entry 4337083

Preview

Coordinates	4337083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H51 I4 N17 Ru2
Calculated formula	C63 H50.25 I4 N17 Ru2
Title of publication	Component analysis of dyads designed for light-driven water oxidation.
Authors of publication	Kohler, Lars; Kaveevivitchai, Nattawut; Zong, Ruifa; Thummel, Randolph P.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	912 - 921
a	13.3193 ± 0.0013 Å
b	25.503 ± 0.002 Å
c	20.0756 ± 0.0019 Å
α	90°
β	104.871 ± 0.002°
γ	90°
Cell volume	6590.9 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.274
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
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337083.cif
106148	2014-03-15	cif/ Adding structures of 4337083 via cif-deposit CGI script.	4337083.cif