Crystallography Open Database

Information card for entry 4003617

Preview

Coordinates	4003617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H41 Ag Cl N
Calculated formula	C28 H41 Ag Cl N
SMILES	[Ag](Cl)=C1N(C(CCC21C1CC3CC2CC(C3)C1)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Authors of publication	Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Journal of publication	Chemistry of Materials
Year of publication	2020
a	10.0759 ± 0.0002 Å
b	11.7337 ± 0.0002 Å
c	21.2836 ± 0.0003 Å
α	90°
β	90.14 ± 0.001°
γ	90°
Cell volume	2516.3 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0304
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
254123 (current)	2020-07-09	cif/ Adding structures of 4003615, 4003616, 4003617, 4003618, 4003619, 4003620, 4003621, 4003622 via cif-deposit CGI script.	4003617.cif