Crystallography Open Database

Information card for entry 1565997

Preview

Coordinates	1565997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H29 B2 Nd O2
Calculated formula	C13 H29 B2 Nd O2
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	15.1747 ± 0.0003 Å
b	7.9459 ± 0.0001 Å
c	15.6507 ± 0.0003 Å
α	90°
β	109.255 ± 0.002°
γ	90°
Cell volume	1781.54 ± 0.06 Å³
Cell temperature	249.99 ± 0.1 K
Ambient diffraction temperature	249.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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.	1565997.cif