Crystallography Open Database

Information card for entry 4069965

Preview

Coordinates	4069965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 B Cl3 Ir N6
Calculated formula	C39 H42 B Cl3 Ir N6
Title of publication	Ethylene Coordination and Acetylene Dimerization at Tp′IrIIICenters
Authors of publication	Lara, Patricia; López-Serrano, Joaquín; Maya, Celia; Paneque, Margarita; Poveda, Manuel L.; Sánchez, Luis J.; Valpuesta, José E. V.; Carmona, Ernesto
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4649
a	8.812 ± 0.0003 Å
b	11.2353 ± 0.0004 Å
c	18.9568 ± 0.0007 Å
α	91.789 ± 0.002°
β	102.805 ± 0.002°
γ	105.43 ± 0.002°
Cell volume	1756.05 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178588 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/99.	4069965.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069965.cif
40537	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4069965, 4069966 via cif-deposit CGI script.	4069965.cif