Crystallography Open Database

Information card for entry 4074622

Preview

Coordinates	4074622.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 6 x 1/2Et~2~O
Chemical name	(Tp^Me2^)IrH(CHC(Me)C(Me)CHC(Me)).1/2Et~2~O
Formula	C25 H39 B Ir N6 O0.5
Calculated formula	C25.845 H34 B Ir N6
Title of publication	Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures
Authors of publication	Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2230
a	35.009 ± 0.002 Å
b	7.968 ± 0.0005 Å
c	25.796 ± 0.0017 Å
α	90°
β	129.232 ± 0.001°
γ	90°
Cell volume	5573.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074622.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4074622.cif
48612	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074620, 4074621, 4074622 via cif-deposit CGI script.	4074622.cif