Crystallography Open Database

Information card for entry 2238663

Preview

Coordinates	2238663.cif
Original IUCr paper	HTML

Structure parameters

Common name	indenyliridiumbisethylene
Chemical name	Bis(η^2^-ethylene)(η^5^-indenyl)iridium(I)
Formula	C13 H15 Ir
Calculated formula	C13 H15 Ir
SMILES	[Ir]123456([cH]7[cH]4[c]43[c]2([cH]17)cccc4)([CH2]=[CH2]5)[CH2]=[CH2]6
Title of publication	Bis(η^2^-ethylene)(η^5^-indenyl)iridium(I)
Authors of publication	Merola, Joseph S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m547
a	7.73182 ± 0.00011 Å
b	10.77708 ± 0.00013 Å
c	25.6818 ± 0.0005 Å
α	90°
β	98.4034 ± 0.0015°
γ	90°
Cell volume	2117 ± 0.06 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.46
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238663.cif
89613	2013-11-06	cif/ Adding structures of 2238663 via cif-deposit CGI script.	2238663.cif