Crystallography Open Database

Information card for entry 4087661

Preview

Coordinates	4087661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H81 Er N6
Calculated formula	C67 H81 Er N6
SMILES	c12cc3ccccc3n2[Er]23(N(C=[N]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([N](=C1)c1c(cccc1C(C)C)C(C)C)n1c(cc2ccccc12)C=[N]3c1c(cccc1C(C)C)C(C)C
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	13.0375 ± 0.0009 Å
b	14.9016 ± 0.0011 Å
c	17.0671 ± 0.0012 Å
α	94.129 ± 0.001°
β	92.772 ± 0.001°
γ	91.533 ± 0.001°
Cell volume	3301.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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.	4087661.cif