Crystallography Open Database

Information card for entry 1516259

Preview

Coordinates	1516259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Si2 Sn
Calculated formula	C34 H38 Si2 Sn
SMILES	[Sn]1(c2ccccc2)(c2ccccc2)C(=C(c2ccccc2)C(=C1[Si](C)(C)C)c1ccccc1)[Si](C)(C)C
Title of publication	Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles
Authors of publication	Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2910
a	20.3517 ± 0.0009 Å
b	11.4308 ± 0.0005 Å
c	14.8442 ± 0.0007 Å
α	90°
β	116.774 ± 0.001°
γ	90°
Cell volume	3083.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516259.cif
119252	2014-07-05	cif/ Updating files of 1516259, 1516260, 1516261 Original log message: Adding full bibliography for 1516259--1516261.cif.	1516259.cif
114398	2014-05-24	cif/ Adding structures of 1516259, 1516260, 1516261 via cif-deposit CGI script.	1516259.cif