Crystallography Open Database

Information card for entry 4073492

Preview

Coordinates	4073492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 O4
Calculated formula	C13 H16 O4
Title of publication	Chiral Mono- and Bis-annelated Cyclopentadienyl Ligands Derived from Tartaric Acid: Synthesis of [(η5-Cyclopentadienyl)RuCl(cod)] and [(η5-Cyclopentadienyl)(η6-benzene)Ru]PF6Derivatives
Authors of publication	McGlacken, Gerard P.; O'Brien, Ciara T.; Whitwood, Adrian C.; Fairlamb, Ian J. S.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	15
Pages of publication	3722
a	8.5111 ± 0.0009 Å
b	6.65 ± 0.0007 Å
c	10.6084 ± 0.0011 Å
α	90°
β	100.347 ± 0.002°
γ	90°
Cell volume	590.66 ± 0.11 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178623 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34.	4073492.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073492.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073492.cif
46373	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073492 via cif-deposit CGI script.	4073492.cif