Crystallography Open Database

Information card for entry 4082265

Preview

Coordinates	4082265.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(η^5^-C~5~Me~5~)Ru{=C(-OC~6~H~3~OH-CH(C~6~H~4~F)CH~2~-)}(dippe)][BF~4~]
Chemical name	1,2-bis(diisopropylphosphine)ethane-7-hydroxy-4-p-fluorphenyl-chroman-2- ylidene-η^5^-pentamethylcyclopentadienyl-ruthenium (II) tetrafluorborate
Formula	C39 H57 B F5 O2 P2 Ru
Calculated formula	C39 H58 B F5 O2 P2 Ru
Title of publication	γ-Substituted Vinylidene, Chroman-2-ylidene, and Hexahydrochromen-2-ylidene from Ruthenium Allenylidene/Alkenylcarbyne Complexes
Authors of publication	Bustelo, Emilio; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	17
Pages of publication	4300
a	10.68 ± 0.002 Å
b	10.981 ± 0.002 Å
c	17.341 ± 0.004 Å
α	93.24 ± 0.03°
β	92.81 ± 0.03°
γ	105.96 ± 0.03°
Cell volume	1947.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
178711 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22.	4082265.cif
99265	2014-01-30	cif/ Adding structures of 4082265 via cif-deposit CGI script.	4082265.cif