Crystallography Open Database

Information card for entry 1557280

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Structure parameters

Formula	C27 H29 Dy N10 O6 S
Calculated formula	C27 H29 Dy N10 O6 S
SMILES	[Dy]12345(ON(=O)=[O]4)(ON(=[O]1)=O)([n]1c4c(n(c1C=[N]3[C@H]1[C@@H]([N]2=Cc2n(c3c([n]52)cccc3)C)CCCC1)C)cccc4)N=C=S.CC#N
Title of publication	Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents
Authors of publication	Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei
Journal of publication	Langmuir
Year of publication	2020
a	12.249 ± 0.005 Å
b	10.064 ± 0.004 Å
c	26.264 ± 0.011 Å
α	90°
β	90.684 ± 0.009°
γ	90°
Cell volume	3237 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.1807
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1972
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557280.cif
248012	2020-02-11	cif/ Adding structures of 1557279, 1557280, 1557281, 1557282 via cif-deposit CGI script.	1557280.cif