Crystallography Open Database

Information card for entry 4348440

Preview

Coordinates	4348440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.67 H33 Br N4.33 P
Calculated formula	C18.6667 H32.9999 Br N4.33333 P
Title of publication	Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.
Authors of publication	Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	7152 - 7166
a	12.1188 ± 0.0009 Å
b	12.1188 ± 0.0009 Å
c	12.1188 ± 0.0009 Å
α	98.79°
β	98.79°
γ	98.79°
Cell volume	1709.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :R
Hall space group symbol	P 3*
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
232917 (current)	2019-11-23	cif/ Adding structures of 4348440 via cif-deposit CGI script.	4348440.cif