Crystallography Open Database

Information card for entry 7039158

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Structure parameters

Formula	C54 H44 Dy F9 N6 O6
Calculated formula	C54 H44 Dy F9 N6 O6
SMILES	[Dy]1234([O]=C(C=C(O1)c1cn(c5c1cccc5)CC)C(F)(F)F)(OC(=CC(=[O]2)c1cn(c2c1cccc2)CC)C(F)(F)F)(OC(=CC(=[O]3)c1cn(c2ccccc12)CC)C(F)(F)F)[n]1ccccc1c1[n]4cccc1.CC#N
Title of publication	Auxiliary ligand field dominated single-molecule magnets of a series of indole-derivative β-diketone mononuclear Dy(iii) complexes.
Authors of publication	Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Yao, Xu; Hou, Guangfeng; Li, Guangming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9148 - 9157
a	12.272 ± 0.005 Å
b	12.514 ± 0.005 Å
c	19.66 ± 0.005 Å
α	76.876 ± 0.005°
β	73.269 ± 0.005°
γ	67.578 ± 0.005°
Cell volume	2649.3 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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