Crystallography Open Database

Information card for entry 7717626

Preview

Coordinates	7717626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H54 F N3 O6
Calculated formula	C29 H54 F N3 O6
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	19.939 ± 0.007 Å
b	16.407 ± 0.005 Å
c	20.147 ± 0.006 Å
α	90°
β	90.563 ± 0.012°
γ	90°
Cell volume	6591 ± 4 Å³
Cell temperature	299 K
Ambient diffraction temperature	299.15 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	0.2421
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.2229
Goodness-of-fit parameter for all reflections included in the refinement	0.866
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7717626.cif
296205	2024-12-04	cif/ Adding structures of 7717624, 7717625, 7717626, 7717627, 7717628, 7717629 via cif-deposit CGI script.	7717626.cif