Crystallography Open Database

Information card for entry 7228633

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Structure parameters

Formula	C46 H34 Cu2 F8 N6 O14
Calculated formula	C46 H34 Cu2 F8 N6 O14
Title of publication	Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.
Authors of publication	Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo
Journal of publication	CrystEngComm
Year of publication	2017
a	9.685 ± 0.001 Å
b	10.557 ± 0.001 Å
c	12.396 ± 0.001 Å
α	107.106 ± 0.002°
β	100.958 ± 0.002°
γ	96.022 ± 0.002°
Cell volume	1171.67 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0522
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7228633.cif
198446	2017-07-05	cif/ Adding structures of 7228631, 7228632, 7228633 via cif-deposit CGI script.	7228633.cif