Crystallography Open Database

Information card for entry 7107215

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Structure parameters

Formula	C90 H58 Dy2 N4 O12
Calculated formula	C90 H58 Dy2 N4 O12
SMILES	C1(c2c3ccccc3ccc2)=[O][Dy]2345([O]=C(O[Dy]67([O]=C(O6)c6c8ccccc8ccc6)([n]6c8c9[n]7cccc9ccc8ccc6)(O1)([O]=C(O3)c1c3c(cccc3)ccc1)[O]=C(c1c3ccccc3ccc1)O4)c1c3c(cccc3)ccc1)([O]=C(O5)c1c3c(cccc3)ccc1)[n]1c3c4[n]2cccc4ccc3ccc1
Title of publication	The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties
Authors of publication	Yu-mei Song; Feng Luo; Ming-biao Luo; Zhen-wei Liao; Gong-ming Sun; Xiao-zhao Tian; Yan Zhu; Zi-Jun Yuan; Shu-juan Liu; Wen-yuan Xu; Xue-feng Feng
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1006
a	12.1856 ± 0.0003 Å
b	12.7654 ± 0.0003 Å
c	13.0999 ± 0.0003 Å
α	88.574 ± 0.001°
β	62.341 ± 0.002°
γ	80.651 ± 0.001°
Cell volume	1777.93 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0198
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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