Crystallography Open Database

Information card for entry 4349836

Preview

Coordinates	4349836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 B2 Dy N12 O2
Calculated formula	C23 H27 B2 Dy N12 O2
SMILES	[Dy]12345(OC(=CC(=[O]1)C)C)([n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1)[n]1n(ccc1)[BH](n1[n]4ccc1)n1[n]5ccc1
Title of publication	Teaching an old molecule new tricks: evidence and rationalisation of the slow magnetisation dynamics in [DyTp2Acac]
Authors of publication	Guégan, Frédéric; Riobé, François; Maury, Olivier; Jung, Julie; Le Guennic, Boris; Morell, Christophe; Luneau, Dominique
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	6
Pages of publication	1346
a	15.2071 ± 0.0005 Å
b	12.8077 ± 0.0004 Å
c	14.8944 ± 0.0005 Å
α	90°
β	102.117 ± 0.003°
γ	90°
Cell volume	2836.32 ± 0.16 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.073
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for all reflections	0.0556
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	1.1815
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
255805 (current)	2020-09-02	cif/4 Fixing Z values and formulae	4349836.cif
236884	2019-11-24	cif/ Adding structures of 4349836 via cif-deposit CGI script.	4349836.cif