Crystallography Open Database

Information card for entry 4515404

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Coordinates	4515404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H72 Cu F6 N8 O12 S2
Calculated formula	C76 H72 Cu F6 N8 O12 S2
Title of publication	Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.
Authors of publication	Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	36
Pages of publication	30649 - 30661
a	21.03 ± 0.05 Å
b	39.44 ± 0.1 Å
c	9.92 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	8228 ± 4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.183
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.2435
Weighted residual factors for all reflections included in the refinement	0.3167
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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