Crystallography Open Database

Information card for entry 1572480

Preview

Coordinates	1572480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 N2
Calculated formula	C30 H50 N2
SMILES	N1(/C(=C\N(C(C)C)C(C)C)C2(CC1(C)C)CCCCC2)c1c(cccc1C(C)C)C(C)C
Title of publication	A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.
Authors of publication	Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	38
Pages of publication	15713 - 15716
a	10.5119 ± 0.0004 Å
b	15.7592 ± 0.0006 Å
c	16.7454 ± 0.0006 Å
α	90°
β	100.303 ± 0.001°
γ	90°
Cell volume	2729.3 ± 0.18 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	3
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	0.0396
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295209 (current)	2024-10-06	cif/ Updating files of 1572478, 1572479, 1572480, 1572481 Original log message: Adding full bibliography for 1572478--1572481.cif.	1572480.cif
294377	2024-09-05	cif/ Adding structures of 1572478, 1572479, 1572480, 1572481 via cif-deposit CGI script.	1572480.cif