Crystallography Open Database

Information card for entry 4071358

Preview

Coordinates	4071358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 Ir N
Calculated formula	C29 H30 Ir N
SMILES	[Ir]12345(NC(c6c5cccc6)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands
Authors of publication	Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	12
Pages of publication	2795
a	7.87 ± 0.003 Å
b	10.155 ± 0.004 Å
c	15.749 ± 0.007 Å
α	73.934 ± 0.012°
β	84.275 ± 0.012°
γ	74.846 ± 0.015°
Cell volume	1166.9 ± 0.8 Å³
Cell temperature	193.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071358.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071358.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071358.cif
43165	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071356, 4071357, 4071358, 4071359, 4071360, 4071361, 4071362 via cif-deposit CGI script.	4071358.cif