Crystallography Open Database

Information card for entry 7713945

Preview

Coordinates	7713945.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DB-495
Formula	C30 H30 O5 P2 W
Calculated formula	C30 H30 O5 P2 W
SMILES	[W](P([P+](CC)(CC)CC)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	A novel access to phosphanylidene-phosphorane complexes via P-donor substitution and a detailed bonding analysis
Authors of publication	Biskup, David; Schnakenburg, Gregor; Boeré, René; Espinosa Ferao, Arturo; Streubel, R.
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.5507 ± 0.0004 Å
b	14.6045 ± 0.0005 Å
c	20.9543 ± 0.0007 Å
α	90°
β	101.082 ± 0.001°
γ	90°
Cell volume	2868.27 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0206
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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
286312 (current)	2023-09-13	cif/ Adding structures of 7713944, 7713945, 7713946 via cif-deposit CGI script.	7713945.cif