Crystallography Open Database

Information card for entry 1548187

Preview

Coordinates	1548187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 P Y
Calculated formula	C27 H34 P Y
SMILES	[Y]123456789%10%11%12([PH2]c%13c(cc(cc%13C)C)C)([cH]%13[c]4([cH]3[cH]2[cH]1%13)C)([cH]1[cH]5[c]6(C)[cH]9[cH]%101)[cH]1[c]8(C)[cH]%12[cH]%11[cH]71
Title of publication	Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands
Authors of publication	Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	7492
a	8.179 ± 0.0006 Å
b	24.6788 ± 0.0018 Å
c	11.5031 ± 0.001 Å
α	90°
β	94.707 ± 0.006°
γ	90°
Cell volume	2314 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0971
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
203523 (current)	2017-11-24	cif/ Adding structures of 1548187 via cif-deposit CGI script.	1548187.cif