Crystallography Open Database

Information card for entry 4073496

Preview

Coordinates	4073496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 O2
Calculated formula	C12 H16 O2
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	19.719 ± 0.005 Å
b	7.3842 ± 0.0019 Å
c	15.748 ± 0.004 Å
α	90°
β	113.273 ± 0.005°
γ	90°
Cell volume	2106.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.2049
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	4073496.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073496.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073496.cif
46377	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073496 via cif-deposit CGI script.	4073496.cif