Crystallography Open Database

Information card for entry 4126019

Preview

Coordinates	4126019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 Sn
Calculated formula	C44 H54 Sn
SMILES	[Sn](c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C@@H]1C2C[C@@H]3C1[C@@H]3C2.Cc1ccccc1.[Sn](c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[C@H]1C2C[C@H]3C1[C@H]3C2.Cc1ccccc1
Title of publication	Tin(II) Hydrides as Intermediates in Rearrangements of Tin(II) Alkyl Derivatives.
Authors of publication	Wang, Shuai; McCrea-Hendrick, Madison L; Weinstein, Cory M.; Caputo, Christine A.; Hoppe, Elke; Fettinger, James C.; Olmstead, Marilyn M.; Power, Philip P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	8.296 ± 0.0016 Å
b	14.809 ± 0.003 Å
c	15.586 ± 0.003 Å
α	87.356 ± 0.005°
β	74.584 ± 0.005°
γ	84.943 ± 0.004°
Cell volume	1838.2 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
196555 (current)	2017-05-07	cif/ Adding structures of 4126015, 4126016, 4126017, 4126018, 4126019, 4126020, 4126021 via cif-deposit CGI script.	4126019.cif