Crystallography Open Database

Information card for entry 4088088

Preview

Coordinates	4088088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N6
Calculated formula	C34 H24 N6
SMILES	c1cc(cc(n1)c1cc(ccn1)c1ccc(/N=N/c2ccccc2)cc1)c1ccc(/N=N/c2ccccc2)cc1
Title of publication	Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes
Authors of publication	Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	23
Pages of publication	5513
a	5.3182 ± 0.0002 Å
b	9.8009 ± 0.0004 Å
c	24.1848 ± 0.0008 Å
α	90°
β	92.483 ± 0.003°
γ	90°
Cell volume	1259.4 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0476
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237250 (current)	2019-11-24	cif/ Adding structures of 4088088 via cif-deposit CGI script.	4088088.cif