Crystallography Open Database

Information card for entry 1548725

Preview

Coordinates	1548725.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6
Formula	C28 H53 Lu O3 Si2
Calculated formula	C28 H53 Lu O3 Si2
SMILES	[Lu]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[c]64[c]3([cH]2[cH]15)C([C@H]1OC(O[C@@H]1C6(C)C)(C)C)(C)C.[Lu]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[c]64[c]3([cH]2[cH]15)C([C@@H]1OC(O[C@H]1C6(C)C)(C)C)(C)C
Title of publication	Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents
Authors of publication	Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	8
Pages of publication	984
a	13.3321 ± 0.0006 Å
b	15.5971 ± 0.0007 Å
c	16.0371 ± 0.0007 Å
α	90°
β	104.67 ± 0.001°
γ	90°
Cell volume	3226.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
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	0.0282
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230957 (current)	2019-11-17	cif/ Updating files of 1548723, 1548724, 1548725 Original log message: Adding full bibliography for 1548723--1548725.cif.	1548725.cif
205399	2018-01-19	cif/ Adding structures of 1548723, 1548724, 1548725 via cif-deposit CGI script.	1548725.cif