Crystallography Open Database

Information card for entry 4088869

Preview

Coordinates	4088869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H90 Cr2 O8 Sn2
Calculated formula	C82 H90 Cr2 O8 Sn2
SMILES	[Sn]1([Cr]([Sn]([Cr]1(C#[O])(C#[O])(C#[O])C#[O])c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O])c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C
Title of publication	Cleavage of Ge‒Ge and Sn‒Sn Triple Bonds in Heavy Group 14 Element Alkyne Analogues (EAriPr4)2 (E = Ge, Sn; AriPr4 = C6H3-2,6(C6H3-2,6-iPr2)2) by Reaction with Group 6 Carbonyls
Authors of publication	McCrea-Hendrick, Madison L.; Caputo, Christine A.; Linnera, Jarno; Vasko, Petra; Weinstein, Cory M.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	16
Pages of publication	2759
a	12.5774 ± 0.0005 Å
b	25.8862 ± 0.001 Å
c	22.921 ± 0.0009 Å
α	90°
β	100.013 ± 0.0007°
γ	90°
Cell volume	7349 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.1481
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
237866 (current)	2019-11-24	cif/ Adding structures of 4088869, 4088870, 4088871, 4088872, 4088873, 4088874 via cif-deposit CGI script.	4088869.cif