Crystallography Open Database

Information card for entry 7708600

Preview

Coordinates	7708600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C166 H188 Cl6 Ir2 N16 O8
Calculated formula	C166 H188 Cl6 Ir2 N16 O8
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	19.9988 ± 0.001 Å
b	16.5267 ± 0.0008 Å
c	29.1477 ± 0.0013 Å
α	90°
β	97.424 ± 0.002°
γ	90°
Cell volume	9553 ± 0.8 Å³
Cell temperature	148 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	0.1035
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7708600.cif