Crystallography Open Database

Information card for entry 4088147

Preview

Coordinates	4088147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 O2 Sn2
Calculated formula	C48 H52 O2 Sn2
SMILES	c1([Sn]2[OH][Sn](c3c(cccc3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)[OH]2)c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species
Authors of publication	Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5785
a	10.2893 ± 0.0004 Å
b	22.5948 ± 0.0008 Å
c	8.7294 ± 0.0003 Å
α	90°
β	99.7123 ± 0.0011°
γ	90°
Cell volume	2000.36 ± 0.13 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237314 (current)	2019-11-24	cif/ Adding structures of 4088145, 4088146, 4088147, 4088148 via cif-deposit CGI script.	4088147.cif