Crystallography Open Database

Information card for entry 1566005

Preview

Coordinates	1566005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.39 H109.28 B4.72 La3 Na O14
Calculated formula	C58.385 H109.277 B4.723 La3 Na O14
Title of publication	Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization
Authors of publication	Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.
Journal of publication	Inorganica Chimica Acta
Year of publication	2022
Journal volume	529
Pages of publication	120638
a	20.6479 ± 0.0015 Å
b	13.1522 ± 0.0009 Å
c	25.776 ± 0.002 Å
α	90°
β	92.54 ± 0.002°
γ	90°
Cell volume	6993 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.111
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272094 (current)	2022-01-18	cif/ Adding structures of 1565997, 1565998, 1565999, 1566000, 1566001, 1566002, 1566003, 1566004, 1566005 via cif-deposit CGI script.	1566005.cif