Crystallography Open Database

Information card for entry 4088148

Preview

Coordinates	4088148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 O2 Sn2
Calculated formula	C50 H56 O2 Sn2
SMILES	c1(c(cccc1c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)[Sn]1[O](C)[Sn](c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)[O]1C
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	12.124 ± 0.003 Å
b	13.776 ± 0.003 Å
c	14.156 ± 0.003 Å
α	90°
β	112.384 ± 0.002°
γ	90°
Cell volume	2186.2 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0192
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
237314 (current)	2019-11-24	cif/ Adding structures of 4088145, 4088146, 4088147, 4088148 via cif-deposit CGI script.	4088148.cif