Crystallography Open Database

Information card for entry 7708605

Preview

Coordinates	7708605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C194 H214 Cl6 Ir2 N16 O9
Calculated formula	C194 H214 Cl6 Ir2 N16 O9
Title of publication	Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)
Authors of publication	Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan
Journal of publication	Dalton Transactions
Year of publication	2021
a	27.5551 ± 0.0009 Å
b	21.0953 ± 0.0007 Å
c	33.6113 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	19537.7 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
270117 (current)	2021-10-29	cif/ Adding structures of 7708599, 7708600, 7708601, 7708602, 7708603, 7708604, 7708605 via cif-deposit CGI script.	7708605.cif