Crystallography Open Database

Information card for entry 1573278

Preview

Coordinates	1573278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H47 O3 Sc Si3
Calculated formula	C18 H47 O3 Sc Si3
SMILES	[Sc]12([O](CC[O]1CC[O]2C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Stabilization of reactive rare earth alkyl complexes through mechanistic studies.
Authors of publication	Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	280 - 287
a	9.4868 ± 0.0001 Å
b	15.7772 ± 0.0001 Å
c	18.6972 ± 0.0001 Å
α	90°
β	101.956 ± 0.001°
γ	90°
Cell volume	2737.8 ± 0.04 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 0.1 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	0.0315
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298094 (current)	2025-03-04	cif/ Updating files of 1573273, 1573274, 1573275, 1573276, 1573277, 1573278, 1573279, 1573280, 1573281, 1573282 Original log message: Adding full bibliography for 1573273--1573282.cif.	1573278.cif
296102	2024-11-26	cif/ Adding structures of 1573273, 1573274, 1573275, 1573276, 1573277, 1573278, 1573279, 1573280, 1573281, 1573282 via cif-deposit CGI script.	1573278.cif