Crystallography Open Database

Information card for entry 7711877

Preview

Coordinates	7711877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H77 F6 Ir O2 P2
Calculated formula	C67 H77 F6 Ir O2 P2
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	11.9712 ± 0.0007 Å
b	16.5219 ± 0.001 Å
c	18.1008 ± 0.0009 Å
α	95.576 ± 0.002°
β	107.732 ± 0.002°
γ	111.124 ± 0.002°
Cell volume	3093.4 ± 0.3 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	0.0382
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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.	7711877.cif
279749	2022-12-07	cif/ Adding structures of 7711876, 7711877 via cif-deposit CGI script.	7711877.cif