Crystallography Open Database

Information card for entry 7700483

Preview

Coordinates	7700483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Ir N2
Calculated formula	C22 H25 Ir N2
Title of publication	A coordinatively unsaturated iridium complex with an unsymmetrical redox-active ligand: (spectro)electrochemical and reactivity studies.
Authors of publication	Sobottka, Sebastian; van der Meer, Margarethe Behr; Glais, Estelle; Albold, Uta; Suhr, Simon; Su, Cheng-Yong; Sarkar, Biprajit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	37
Pages of publication	13931 - 13942
a	10.4919 ± 0.0003 Å
b	11.4836 ± 0.0004 Å
c	15.7162 ± 0.0006 Å
α	90°
β	90.245 ± 0.002°
γ	90°
Cell volume	1893.55 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0316
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
223849 (current)	2019-11-07	cif/ Updating files of 7700482, 7700483, 7700484 Original log message: Adding full bibliography for 7700482--7700484.cif.	7700483.cif
216908	2019-07-10	cif/ Adding structures of 7700482, 7700483, 7700484 via cif-deposit CGI script.	7700483.cif