Crystallography Open Database

Information card for entry 1568533

Preview

Coordinates	1568533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H64 La N3 O Si6
Calculated formula	C31 H64 La N3 O Si6
SMILES	[La]([O]=C(c1ccccc1)c1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.
Authors of publication	Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	12
Pages of publication	3247 - 3256
a	11.6736 ± 0.0002 Å
b	18.459 ± 0.0003 Å
c	20.0226 ± 0.0003 Å
α	90°
β	93.092 ± 0.001°
γ	90°
Cell volume	4308.25 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0451
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
282300 (current)	2023-04-04	cif/ Updating files of 1568533, 1568534, 1568535 Original log message: Adding full bibliography for 1568533--1568535.cif.	1568533.cif
281134	2023-02-25	cif/ Adding structures of 1568533, 1568534, 1568535 via cif-deposit CGI script.	1568533.cif