Crystallography Open Database

Information card for entry 7717627

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Coordinates	7717627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49.55 F N4 O3
Calculated formula	C32 H49.551 F N4 O3
Title of publication	Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.
Authors of publication	Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	5
Pages of publication	2069 - 2077
a	8.2214 ± 0.0014 Å
b	17.687 ± 0.003 Å
c	23.149 ± 0.003 Å
α	90°
β	97.908 ± 0.005°
γ	90°
Cell volume	3334.1 ± 0.9 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 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	0.104
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
298272 (current)	2025-03-04	cif/ Updating files of 7717624, 7717625, 7717626, 7717627, 7717628, 7717629 Original log message: Adding full bibliography for 7717624--7717629.cif.	7717627.cif
296205	2024-12-04	cif/ Adding structures of 7717624, 7717625, 7717626, 7717627, 7717628, 7717629 via cif-deposit CGI script.	7717627.cif