Crystallography Open Database

Information card for entry 2108889

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Structure parameters

Formula	C62 H70 Cu4 N14 O32
Calculated formula	C62 H70 Cu4 N14 O32
SMILES	c12c(cc(cc1)N(=O)=O)C=[N]1OCCO[N]3=Cc4c5c(cc(c4)C)C=[N]4OCCO[N]6=Cc7c(ccc(c7)N(=O)=O)O[Cu]46([O]5[Cu]413[O]2[Cu]123[O]4c4c(cc(cc4)N(=O)=O)C=[N]1OCCO[N]2=Cc1c2c(cc(c1)C)C=[N]1OCCO[N]4=Cc5c(ccc(c5)N(=O)=O)O[Cu]14([O]32)[OH]CC)[OH]CC.N(=O)(=O)[O-].CCO.N(=O)(=O)[O-].CCO
Title of publication	Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand
Authors of publication	Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui
Journal of publication	Acta Crystallographica Section B
Year of publication	2021
Journal volume	77
Journal issue	5
a	15.1553 ± 0.0006 Å
b	15.2135 ± 0.0006 Å
c	15.1959 ± 0.0006 Å
α	90°
β	94.292 ± 0.001°
γ	90°
Cell volume	3493.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
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	0.0899
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269252 (current)	2021-09-23	cif/ hkl/ Adding structures of 2108888, 2108889, 2108890 via cif-deposit CGI script.	2108889.cif 2108889.hkl