Crystallography Open Database

Information card for entry 7708602

Preview

Coordinates	7708602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170.8 H223.8 Cl2 Ir2 N16 O17.1
Calculated formula	C170.8 H223.8 Cl2 Ir2 N16 O17.1
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	24.3502 ± 0.001 Å
b	18.8077 ± 0.0008 Å
c	20.2321 ± 0.0007 Å
α	90°
β	102.247 ± 0.001°
γ	90°
Cell volume	9054.9 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.1408
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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.	7708602.cif