Crystallography Open Database

Information card for entry 4130836

Preview

Coordinates	4130836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 Hf O Si2 Sn
Calculated formula	C42 H58 Hf O Si2 Sn
SMILES	[C]12(=[C]3([C]4(=[C]([Sn]134)([Hf]134567892([cH]2[cH]1[cH]3[cH]4[cH]82)[cH]1[cH]6[cH]7[cH]5[cH]91)[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C.O1CCCC1
Title of publication	(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.
Authors of publication	Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	35
Pages of publication	11378 - 11382
a	8.0406 ± 0.0004 Å
b	15.0059 ± 0.0007 Å
c	33.2314 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4009.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
241195 (current)	2019-11-25	cif/ Adding structures of 4130835, 4130836 via cif-deposit CGI script.	4130836.cif