Crystallography Open Database

Information card for entry 7702285

Preview

Coordinates	7702285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 Ir N7 S2
Calculated formula	C44 H34 Ir N7 S2
Title of publication	Azo-triazolide bis-cyclometalated Ir(iii) complexes via cyclization of 3-cyanodiarylformazanate ligands.
Authors of publication	Mu, Ge; Wen, Zhili; Wu, Judy I-Chia; Teets, Thomas S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	12
Pages of publication	3775 - 3785
a	15.0406 ± 0.0011 Å
b	13.7393 ± 0.001 Å
c	18.9988 ± 0.0014 Å
α	90°
β	105.613 ± 0.001°
γ	90°
Cell volume	3781.2 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0473
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
250320 (current)	2020-04-05	cif/ Updating files of 7702284, 7702285, 7702286 Original log message: Adding full bibliography for 7702284--7702286.cif.	7702285.cif
243807	2019-11-28	cif/ Adding structures of 7702284, 7702285, 7702286 via cif-deposit CGI script.	7702285.cif