Crystallography Open Database

Information card for entry 4330922

Preview

Coordinates	4330922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H76 N4 O3 P2
Calculated formula	C52 H76 N4 O3 P2
Title of publication	Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations
Authors of publication	Nick A. Giffin; Arthur D. Hendsbee; Tracey L. Roemmele; Michael D. Lumsden; Cory C. Pye; Jason D. Masuda
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11837 - 11850
a	16.186 ± 0.004 Å
b	17.938 ± 0.004 Å
c	17.738 ± 0.004 Å
α	90°
β	101.922 ± 0.003°
γ	90°
Cell volume	5039 ± 2 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179412 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/09.	4330922.cif
80382	2013-04-07	cif/ Adding structures of 4330922 via cif-deposit CGI script.	4330922.cif