Crystallography Open Database

Information card for entry 4087659

Preview

Coordinates	4087659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H94 Er2 N8
Calculated formula	C84 H94 Er2 N8
SMILES	[Er]12345678(n9[c]%10%11[c]%12([Er]%13%14%15%16%17%10(N(c%10c(cccc%10C(C)C)C(C)C)Cc%10c[c]%186[c]1(n%13%10)[cH]3[cH]8[cH]7[cH]4%18)([cH]([cH]%16[cH]%11%14)[cH]%12%17)[N](=Cc1n%15c3c(c1)cccc3)c1c(C(C)C)cccc1C(C)C)cc9CN2c1c(C(C)C)cccc1C(C)C)[N](c1c(C(C)C)cccc1C(C)C)=Cc1n5c2c(cccc2)c1
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	13.7561 ± 0.001 Å
b	19.8131 ± 0.0014 Å
c	30.448 ± 0.002 Å
α	90°
β	90.292 ± 0.001°
γ	90°
Cell volume	8298.5 ± 1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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.	4087659.cif