Crystallography Open Database

Information card for entry 1574208

Preview

Coordinates	1574208.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SH-50.03
Formula	C36 H64 O2 Si5 W
Calculated formula	C36 H64 O2 Si5 W
SMILES	[W]1234(#[Si]c5c(cc(cc5C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O]
Title of publication	Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)
Authors of publication	Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	18
Pages of publication	7773 - 7793
a	11.5444 ± 0.0003 Å
b	12.8236 ± 0.0004 Å
c	15.6549 ± 0.0005 Å
α	75.7391 ± 0.0015°
β	73.0022 ± 0.0015°
γ	83.412 ± 0.0015°
Cell volume	2145.74 ± 0.11 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
300652 (current)	2025-07-06	cif/ Updating files of 1574207, 1574208, 1574209, 1574210, 1574211, 1574212, 1574213, 1574214 Original log message: Adding full bibliography for 1574207--1574214.cif.	1574208.cif
298566	2025-03-25	cif/ Adding structures of 1574207, 1574208, 1574209, 1574210, 1574211, 1574212, 1574213, 1574214 via cif-deposit CGI script.	1574208.cif