Crystallography Open Database

Information card for entry 2020788

2020787 << 2020788 >> 2020789

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Structure parameters

Chemical name	Bis{μ~3~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}bis{μ~2~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}tetracopper(II)
Formula	C44 H52 Cu4 N4 O12
Calculated formula	C44 H52 Cu4 N4 O12
Title of publication	A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties
Authors of publication	Gungor, Elif
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	5
Pages of publication	393 - 398
a	16.2592 ± 0.0003 Å
b	14.2078 ± 0.0003 Å
c	9.256 ± 0.0002 Å
α	90°
β	92.527 ± 0.001°
γ	90°
Cell volume	2136.13 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.95 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301801 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure.	2020788.cif 2020788.hkl
199079	2017-07-25	cif/ hkl/ Adding structures of 2020788 via cif-deposit CGI script.	2020788.cif 2020788.hkl