Crystallography Open Database

Information card for entry 4514305

Preview

Coordinates	4514305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Au Br N3 P
Calculated formula	C6 H18 Au Br N3 P
SMILES	CN([P](N(C)C)([Au]Br)N(C)C)C
Title of publication	Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.
Authors of publication	Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	46
Pages of publication	40998 - 41005
a	14.8743 ± 0.0005 Å
b	11.3479 ± 0.0004 Å
c	7.2893 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1230.38 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0157
Residual factor for significantly intense reflections	0.0119
Weighted residual factors for significantly intense reflections	0.0259
Weighted residual factors for all reflections included in the refinement	0.0264
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
203918 (current)	2017-12-04	cif/ Adding structures of 4514305 via cif-deposit CGI script.	4514305.cif