Crystallography Open Database

Information card for entry 7241158

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Structure parameters

Chemical name	Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene methanol solvate
Formula	C24 H28 Cu2 F8 I4 O12
Calculated formula	C24 H28 Cu2 F8 I4 O12
Title of publication	New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.
Authors of publication	Torubaev, Yury; Skabitskiy, Ivan V.
Journal of publication	CrystEngComm
Year of publication	2020
a	8.7053 ± 0.0003 Å
b	14.5425 ± 0.0005 Å
c	15.3896 ± 0.0005 Å
α	90.191 ± 0.001°
β	98.112 ± 0.001°
γ	97.898 ± 0.001°
Cell volume	1909.97 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0716
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7241158.cif
255789	2020-09-02	cif/ Adding structures of 7241155, 7241156, 7241157, 7241158 via cif-deposit CGI script.	7241158.cif