Crystallography Open Database

Information card for entry 4512331

Preview

Coordinates	4512331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H53 Cl10 F4 Ir N6
Calculated formula	C48 H53 Cl10 F4 Ir N6
Title of publication	White light-emitting electrochemical cells based on the Langmuir-Blodgett technique.
Authors of publication	Fernández-Hernández, Jesús M; De Cola, Luisa; Bolink, Henk J.; Clemente-León, Miguel; Coronado, Eugenio; Forment-Aliaga, Alicia; López-Muñoz, Angel; Repetto, Diego
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2014
Journal volume	30
Journal issue	46
Pages of publication	14021 - 14029
a	12.9358 ± 0.0007 Å
b	13.5198 ± 0.0007 Å
c	16.4264 ± 0.0009 Å
α	77.942 ± 0.004°
β	80.486 ± 0.004°
γ	76.544 ± 0.004°
Cell volume	2711.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.068
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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
179670 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/23.	4512331.cif
131415	2015-02-07	cif/ Updating files of 4512331 Original log message: Adding full bibliography for 4512331.cif.	4512331.cif
127440	2014-11-16	cif/ Adding structures of 4512331 via cif-deposit CGI script.	4512331.cif