Crystallography Open Database

Information card for entry 7700482

Preview

Coordinates	7700482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 B F4 Ir N2
Calculated formula	C23 H28 B F4 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	9.8859 ± 0.0017 Å
b	10.6665 ± 0.0019 Å
c	11.563 ± 0.002 Å
α	86.062 ± 0.004°
β	72.464 ± 0.004°
γ	89.848 ± 0.004°
Cell volume	1159.7 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0575
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
223849 (current)	2019-11-07	cif/ Updating files of 7700482, 7700483, 7700484 Original log message: Adding full bibliography for 7700482--7700484.cif.	7700482.cif
216908	2019-07-10	cif/ Adding structures of 7700482, 7700483, 7700484 via cif-deposit CGI script.	7700482.cif