Crystallography Open Database

Information card for entry 7717292

Preview

Coordinates	7717292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H84 B4 Cl8 F20 N4
Calculated formula	C68 H84 B4 Cl8 F20 N4
Title of publication	Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction.
Authors of publication	Kundu, Gargi; Pramanik, Debjit; Dash, Soumya Ranjan; Kumar, Ravi; Sangole, Mayur; Tothadi, Srinu; Ghosh, Aryya; Vanka, Kumar; Singh, Kirandeep; Sen, Sakya S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	44
Pages of publication	17789 - 17793
a	10.5204 ± 0.0008 Å
b	18.2379 ± 0.0015 Å
c	21.2226 ± 0.0015 Å
α	90°
β	102.566 ± 0.002°
γ	90°
Cell volume	3974.4 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.1121
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.2566
Weighted residual factors for all reflections included in the refinement	0.266
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
296501 (current)	2024-12-06	cif/ Updating files of 7717291, 7717292, 7717293 Original log message: Adding full bibliography for 7717291--7717293.cif.	7717292.cif
295616	2024-10-25	cif/ Adding structures of 7717291, 7717292, 7717293 via cif-deposit CGI script.	7717292.cif