Crystallography Open Database

Information card for entry 1553408

Preview

Coordinates	1553408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Cl2 N4 Ni
Calculated formula	C36 H40 Cl2 N4 Ni
SMILES	c1ccc2c3[n]1[Ni]1([N](=C3C(C2)(C)C)c2c(cccc2C)C)([N](=C2c3c(ccc[n]13)CC2(C)C)c1c(cccc1C)C)(Cl)Cl
Title of publication	Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts
Authors of publication	Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua
Journal of publication	Polymer Chemistry
Year of publication	2017
Journal volume	8
Journal issue	6
Pages of publication	995
a	9.0742 ± 0.0018 Å
b	14.496 ± 0.003 Å
c	12.391 ± 0.003 Å
α	90°
β	98.03 ± 0.03°
γ	90°
Cell volume	1613.9 ± 0.6 Å³
Cell temperature	173.15 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	0.0373
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.0388
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
234784 (current)	2019-11-23	cif/ Adding structures of 1553407, 1553408 via cif-deposit CGI script.	1553408.cif