Crystallography Open Database

Information card for entry 4514159

Preview

Coordinates	4514159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 Si2
Calculated formula	C22 H38 Si2
SMILES	[Si]([Si](C)(C)C1C(=C(C(=C1C)C)C)C)(C1C(=C(C(=C1C)C)C)C)(C)C
Title of publication	Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization
Authors of publication	Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	8
Pages of publication	5214
a	8.809 ± 0.003 Å
b	15.299 ± 0.005 Å
c	16.461 ± 0.005 Å
α	90°
β	93.573 ± 0.006°
γ	90°
Cell volume	2214.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.06 K
Number of distinct elements	3
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	0.0396
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
200647 (current)	2017-09-12	cif/ Updating files of 4514159, 4514160 Original log message: Adding full bibliography for 4514159--4514160.cif.	4514159.cif
198644	2017-07-12	cif/ Adding structures of 4514159 via cif-deposit CGI script.	4514159.cif