Crystallography Open Database

Information card for entry 7048645

Preview

Coordinates	7048645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H51 N2 O Sc Si2
Calculated formula	C31 H51 N2 O Sc Si2
Title of publication	Anilido-oxazoline-ligated rare-earth metal complexes: synthesis, characterization and highly cis-1,4-selective polymerization of isoprene.
Authors of publication	Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Li, Yang; Jiang, Kang; He, Gaohong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	11
Pages of publication	3583 - 3592
a	10.3732 ± 0.0005 Å
b	16.9019 ± 0.0007 Å
c	19.2689 ± 0.0008 Å
α	90°
β	92.44 ± 0.002°
γ	90°
Cell volume	3375.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.045
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
224548 (current)	2019-11-08	cif/ Updating files of 7048642, 7048643, 7048644, 7048645 Original log message: Adding full bibliography for 7048642--7048645.cif.	7048645.cif
213173	2019-01-17	cif/ Adding structures of 7048642, 7048643, 7048644, 7048645 via cif-deposit CGI script.	7048645.cif