Crystallography Open Database

Information card for entry 7710121

Preview

Coordinates	7710121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H54 N2 O P Sc Si2
Calculated formula	C39 H54 N2 O P Sc Si2
SMILES	[Sc]12([O]=P(c3c([N]1=C(N2c2c(cccc2C)C)C(C)(C)C)cccc3)(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Sc and Y bis(alkyl) complexes supported by bi- and tridentate amidinate ligands. Synthesis, structure and catalytic activity in polymerization of isoprene and 1-heptene.
Authors of publication	Trifonov, Alexander; Tolpygin, Aleksei; Sachkova, Anastasia; Mikhailychev, Alexander; Ob’edkov, A. M.; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.4383 ± 0.0005 Å
b	19.1282 ± 0.0008 Å
c	18.8454 ± 0.0008 Å
α	90°
β	103.73 ± 0.001°
γ	90°
Cell volume	4005.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0509
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
274672 (current)	2022-04-26	cif/ Adding structures of 7710119, 7710120, 7710121, 7710122 via cif-deposit CGI script.	7710121.cif