Crystallography Open Database

Information card for entry 1550201

Preview

Coordinates	1550201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 N Sc Si2
Calculated formula	C27 H36 N Sc Si2
SMILES	[Sc]12345([n]6c(C[c]71[c]12cccc[c]31[c]14cccc[c]571)cccc6)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes
Authors of publication	Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	2
Pages of publication	235
a	10.299 ± 0.001 Å
b	15.4938 ± 0.0016 Å
c	17.3672 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2771.3 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1635
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
225340 (current)	2019-11-08	cif/ Updating files of 1550201 Original log message: Adding full bibliography for 1550201.cif.	1550201.cif
211851	2018-11-08	cif/ Adding structures of 1550201 via cif-deposit CGI script.	1550201.cif