Crystallography Open Database

Information card for entry 7241766

Preview

Coordinates	7241766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 B F2 I2 N3
Calculated formula	C18 H16 B F2 I2 N3
Title of publication	Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions
Authors of publication	Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	268 - 272
a	16.724 ± 0.002 Å
b	15.302 ± 0.002 Å
c	7.6345 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1953.7 ± 0.4 Å³
Cell temperature	119.91 K
Ambient diffraction temperature	119.91 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
261626 (current)	2021-02-05	cif/ Updating files of 7241765, 7241766, 7241767 Original log message: Adding full bibliography for 7241765--7241767.cif.	7241766.cif
259741	2020-12-10	cif/ Adding structures of 7241765, 7241766, 7241767 via cif-deposit CGI script.	7241766.cif