Crystallography Open Database

Information card for entry 7119082

7119081 << 7119082 >> 7119083

Preview

Coordinates	7119082.cif

Structure parameters

Formula	C27 H39 Br Cu N
Calculated formula	C27 H39 Br Cu N
SMILES	[Cu](Br)=C1N(C(C)(C)CC21C1CC3CC2CC(C1)C3)c1c(C(C)C)cccc1C(C)C
Title of publication	Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence
Authors of publication	Alexander S. Romanov; Dawei Di; Le Yang; Julio Fernandez-Cestau; Ciaran R. Becker; Charlotte E. James; Bonan Zhu; Mikko Linnolahti; Dan Credgington; Manfred Bochmann
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6379
a	16.0878 ± 0.0002 Å
b	19.4137 ± 0.0003 Å
c	16.2912 ± 0.0003 Å
α	90°
β	103.54 ± 0.002°
γ	90°
Cell volume	4946.71 ± 0.14 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
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	0.0643
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184113 (current)	2016-07-01	cif/ Adding structures of 7119080, 7119081, 7119082 via cif-deposit CGI script.	7119082.cif