Crystallography Open Database

Information card for entry 4087657

Preview

Coordinates	4087657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H69 N6 Sm
Calculated formula	C63 H69 N6 Sm
SMILES	[Sm]123(n4c5c(cc4C=[N]1c1c(C(C)C)cccc1C(C)C)cccc5)([N](c1c(C(C)C)cccc1C(C)C)=Cc1n2c2ccccc2c1)n1c(C=[N]3c2c(C(C)C)cccc2C(C)C)cc2c1cccc2
Title of publication	Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization
Authors of publication	Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4251
a	16.1585 ± 0.0009 Å
b	17.4664 ± 0.001 Å
c	19.5796 ± 0.0011 Å
α	90°
β	90.064 ± 0.001°
γ	90°
Cell volume	5526 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0804
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
236903 (current)	2019-11-24	cif/ Adding structures of 4087652, 4087653, 4087654, 4087655, 4087656, 4087657, 4087658, 4087659, 4087660, 4087661 via cif-deposit CGI script.	4087657.cif