Crystallography Open Database

Information card for entry 7114101

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Coordinates	7114101.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ru(OEP)CO)nitrone
Formula	C43 H55 N5 O2 Ru
Calculated formula	C43 H55 N5 O2 Ru
Title of publication	Nitrones are suitable ligands for heme models: X-ray crystal structure of the first metalloporphyrin nitrone complex
Authors of publication	Lee, Jonghyuk; Twamley, Brendan; Richter-Addo, George B.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	4
Pages of publication	380
a	8.372 ± 0.0011 Å
b	10.5284 ± 0.0014 Å
c	22.576 ± 0.003 Å
α	90°
β	92.559 ± 0.004°
γ	90°
Cell volume	1987.9 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
180255 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/41.	7114101.cif
116562	2014-06-13	cif/ Adding structures of 7114101 via cif-deposit CGI script.	7114101.cif