Crystallography Open Database

Information card for entry 7131847

Preview

Coordinates	7131847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H25 B2 La O
Calculated formula	C13 H25 B2 La O
SMILES	[La]123456789%10%11%12([O]%13CCCC%13)([CH]%13=[CH]1[CH]4=[CH]8[CH]7=[CH]6C3[CH]5=[CH]2%13)([H][BH]([H]9)[H]%10)[H][BH]([H]%12)[H]%11
Title of publication	Mono-cyclononatetraenyl lanthanide complexes.
Authors of publication	Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
a	8.4353 ± 0.0005 Å
b	7.2384 ± 0.0003 Å
c	25.9862 ± 0.0015 Å
α	90°
β	93.184 ± 0.005°
γ	90°
Cell volume	1584.22 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0401
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
285066 (current)	2023-07-07	cif/ Adding structures of 7131847, 7131848, 7131849, 7131850, 7131851 via cif-deposit CGI script.	7131847.cif