Crystallography Open Database

Information card for entry 7700484

Preview

Coordinates	7700484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl F3 Ir N2 O3 S
Calculated formula	C23 H25 Cl F3 Ir N2 O3 S
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	14.743 ± 0.008 Å
b	11.872 ± 0.005 Å
c	28.358 ± 0.015 Å
α	90°
β	96.077 ± 0.015°
γ	90°
Cell volume	4936 ± 4 Å³
Cell temperature	189 ± 2 K
Ambient diffraction temperature	189 ± 2 K
Number of distinct elements	8
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	0.0335
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0358
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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.	7700484.cif
216908	2019-07-10	cif/ Adding structures of 7700482, 7700483, 7700484 via cif-deposit CGI script.	7700484.cif