Crystallography Open Database

Information card for entry 4073495

Preview

Coordinates	4073495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H44 Cl2 F12 O4 P2 Ru2
Calculated formula	C37 H44 Cl2 F12 O4 P2 Ru2
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	23.2056 ± 0.0011 Å
b	8.1184 ± 0.0004 Å
c	23.2436 ± 0.0011 Å
α	90°
β	110.365 ± 0.001°
γ	90°
Cell volume	4105.2 ± 0.3 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	7
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4073495.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073495.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073495.cif
46376	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073495 via cif-deposit CGI script.	4073495.cif