Crystallography Open Database

Information card for entry 7130354

Preview

Coordinates	7130354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Ge N O5 Si W
Calculated formula	C20 H27 Ge N O5 Si W
SMILES	[W]([Ge]1N([Si](C21C(=C(C(=C2C)C)C)C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Heavier N-heterocyclic half-sandwich tetrylenes
Authors of publication	Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André
Journal of publication	Chemical Communications
Year of publication	2022
a	9.1997 ± 0.0004 Å
b	26.2141 ± 0.001 Å
c	10.2037 ± 0.0004 Å
α	90°
β	100.75 ± 0.002°
γ	90°
Cell volume	2417.56 ± 0.17 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.0299
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
276789 (current)	2022-07-23	cif/ Adding structures of 7130352, 7130353, 7130354, 7130355, 7130356, 7130357 via cif-deposit CGI script.	7130354.cif