Crystallography Open Database

Information card for entry 7107216

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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(O5)c5c6c(ccc5)cccc6)([n]5cccc6c5c5[n]2cccc5cc6)[O]=C(c2c5c(cccc5)ccc2)O[Dy]25(O1)([O]=C(O5)c1c5c(ccc1)cccc5)([n]1c5c(ccc6ccc[n]2c56)ccc1)([O]=C(c1c2ccccc2ccc1)O4)[O]=C(c1c2c(cccc2)ccc1)O3
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	12.1869 ± 0.0003 Å
b	12.7681 ± 0.0003 Å
c	13.102 ± 0.0004 Å
α	88.617 ± 0.002°
β	62.322 ± 0.001°
γ	80.683 ± 0.002°
Cell volume	1778.57 ± 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	0.0252
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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