Crystallography Open Database

Information card for entry 4080077

Preview

Coordinates	4080077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 F4 Ir N O
Calculated formula	C18 H15 F4 Ir N O
Title of publication	Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes
Authors of publication	Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	4
Pages of publication	1053
a	8.445 ± 0.0004 Å
b	9.4692 ± 0.0005 Å
c	11.7555 ± 0.0006 Å
α	71.959 ± 0.003°
β	76.304 ± 0.003°
γ	65.008 ± 0.003°
Cell volume	804 ± 0.07 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0547
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178689 (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 4/08/00.	4080077.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4080077.cif
74545	2013-02-28	cif/ Adding structures of 4080075, 4080076, 4080077, 4080078 via cif-deposit CGI script.	4080077.cif