Crystallography Open Database

Information card for entry 7711876

Preview

Coordinates	7711876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H90 F12 Ir2 O2 P4
Calculated formula	C77 H90 F12 Ir2 O2 P4
Title of publication	Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes.
Authors of publication	Talavera, Maria; Pereira-Cameselle, Raquel; Peña-Gallego, Ángeles; Vázquez-Carballo, Irene; Prieto, Inmaculada; Alonso-Gómez, J Lorenzo; Bolaño, Sandra
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	2
Pages of publication	487 - 493
a	10.134 ± 0.0012 Å
b	18.628 ± 0.002 Å
c	20.622 ± 0.002 Å
α	75.284 ± 0.004°
β	85.701 ± 0.004°
γ	83.585 ± 0.004°
Cell volume	3737.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0736
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
283294 (current)	2023-05-05	cif/ Updating files of 7711876, 7711877 Original log message: Adding full bibliography for 7711876--7711877.cif.	7711876.cif
279749	2022-12-07	cif/ Adding structures of 7711876, 7711877 via cif-deposit CGI script.	7711876.cif