Crystallography Open Database

Information card for entry 4087981

Preview

Coordinates	4087981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 Cr N4 O5 P Si
Calculated formula	C48 H59 Cr N4 O5 P Si
SMILES	[Cr](P[Si]1(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].c1ccccc1C
Title of publication	Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes
Authors of publication	Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5703
a	18.478 ± 0.0003 Å
b	17.5211 ± 0.0003 Å
c	29.6613 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9603 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237170 (current)	2019-11-24	cif/ Adding structures of 4087981 via cif-deposit CGI script.	4087981.cif