Crystallography Open Database

Information card for entry 1573280

Preview

Coordinates	1573280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H49 P2 Sc Si3
Calculated formula	C18 H49 P2 Sc Si3
SMILES	[Sc]1(C[Si](C)(C)C)([P](C)(CC[P]1(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	16.9327 ± 0.0002 Å
b	9.5169 ± 0.0001 Å
c	18.2023 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2933.24 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	1573280.cif
296102	2024-11-26	cif/ Adding structures of 1573273, 1573274, 1573275, 1573276, 1573277, 1573278, 1573279, 1573280, 1573281, 1573282 via cif-deposit CGI script.	1573280.cif