Crystallography Open Database

Information card for entry 4511021

Preview

Coordinates	4511021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.25 H34.5 Cl0.5 F3 Ir N4 O3 S
Calculated formula	C34 H34 Ir N4 O2
Title of publication	Water-based oxygen-sensor films.
Authors of publication	Habibagahi, Arezoo; Mébarki, Youssef; Sultan, Yasir; Yap, Glenn P. A.; Crutchley, Robert J.
Journal of publication	ACS applied materials & interfaces
Year of publication	2009
Journal volume	1
Journal issue	8
Pages of publication	1785 - 1792
a	15.164 ± 0.005 Å
b	17.083 ± 0.006 Å
c	17.242 ± 0.006 Å
α	117.569 ± 0.005°
β	104.876 ± 0.005°
γ	100.075 ± 0.005°
Cell volume	3595 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4511021.cif
114665	2014-05-29	cif/ Adding structures of 4511021 via cif-deposit CGI script.	4511021.cif