Crystallography Open Database

Information card for entry 4129644

Preview

Coordinates	4129644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 N O2 Sn2
Calculated formula	C17 H27 N O2 Sn2
SMILES	C1(=O)c2ccccc2C(=O)N1CCC([Sn](C)(C)C)[Sn](C)(C)C
Title of publication	Pd(0)-Catalyzed Carbene Insertion into Si-Si and Sn-Sn Bonds.
Authors of publication	Liu, Zhenxing; Tan, Haocheng; Fu, Tianren; Xia, Ying; Qiu, Di; Zhang, Yan; Wang, Jianbo
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	40
Pages of publication	12800 - 12803
a	8.0323 ± 0.0002 Å
b	10.4276 ± 0.0003 Å
c	12.6489 ± 0.0003 Å
α	90.916 ± 0.002°
β	102.405 ± 0.002°
γ	91.048 ± 0.003°
Cell volume	1034.32 ± 0.05 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 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	0.0373
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
240323 (current)	2019-11-25	cif/ Adding structures of 4129644 via cif-deposit CGI script.	4129644.cif