Crystallography Open Database

Information card for entry 7708603

Preview

Coordinates	7708603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C165.6 H238.6 Cl17.8 Ir2 N12 O25.7
Calculated formula	C165.6 H238.6 Cl17.8 Ir2 N12 O25.7
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	13.0463 ± 0.0007 Å
b	20.2747 ± 0.0012 Å
c	20.6481 ± 0.0011 Å
α	103.234 ± 0.002°
β	106.527 ± 0.002°
γ	96.082 ± 0.002°
Cell volume	5010.6 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0581
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
270117 (current)	2021-10-29	cif/ Adding structures of 7708599, 7708600, 7708601, 7708602, 7708603, 7708604, 7708605 via cif-deposit CGI script.	7708603.cif