Crystallography Open Database

Information card for entry 1572894

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Coordinates	1572894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Pr
Calculated formula	C17 H17 Pr
Title of publication	The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Authors of publication	Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
Journal of publication	Chemical Science
Year of publication	2024
a	12.055 ± 0.004 Å
b	12.777 ± 0.005 Å
c	8.864 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1365.3 ± 0.8 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1319
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
295550 (current)	2024-10-20	cif/ Adding structures of 1572887, 1572888, 1572889, 1572890, 1572891, 1572892, 1572893, 1572894, 1572895, 1572896, 1572897, 1572898, 1572899, 1572900, 1572901, 1572902, 1572903, 1572904 via cif-deposit CGI script.	1572894.cif