Crystallography Open Database

Information card for entry 7712297

Preview

Coordinates	7712297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Cu3 Dy N3 O24
Calculated formula	C27 H36 Cu3 Dy N3 O24
SMILES	[Cu]1234[O]=C(C=C5C6[O]7[Cu]89([O]=C(C=6)C)[O]=C(C=C6[O]8[Dy]8%107([O]15)([O]1[Cu]5([O]=C(C=C([O]85)C([O]2%10)=CC(=[O]3)C)C)([O]=C(C=C61)C)([OH]C)[OH]C)(ON(=[O]4)=O)(ON(=[O]9)=O)ON(=O)=O)C)C.OC
Title of publication	Tetranuclear [Cu<sub>3</sub>Ln] complexes derived from a tetraketone-type ligand.
Authors of publication	Shiga, Takuya; Miyamoto, Haruka; Okamoto, Yukiko; Oshio, Hiroki; Mihara, Nozomi; Nihei, Masayuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	7.9231 ± 0.0006 Å
b	11.575 ± 0.001 Å
c	22.3077 ± 0.0018 Å
α	93.039 ± 0.001°
β	91.773 ± 0.001°
γ	105.884 ± 0.001°
Cell volume	1962.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0639
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
280991 (current)	2023-02-20	cif/ Adding structures of 7712295, 7712296, 7712297 via cif-deposit CGI script.	7712297.cif