Crystallography Open Database

Information card for entry 1557468

Preview

Coordinates	1557468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Br2 N2 Ni
Calculated formula	C60 H76 Br2 N2 Ni
Title of publication	Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species
Authors of publication	Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	7
Pages of publication	1393 - 1400
a	16.631 ± 0.0014 Å
b	15.673 ± 0.0013 Å
c	22.5127 ± 0.0019 Å
α	90°
β	99.756 ± 0.002°
γ	90°
Cell volume	5783.2 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1412
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
257946 (current)	2020-10-06	cif/ Updating files of 1557467, 1557468 Original log message: Adding full bibliography for 1557467--1557468.cif.	1557468.cif
248786	2020-03-04	cif/ Adding structures of 1557467, 1557468 via cif-deposit CGI script.	1557468.cif