Crystallography Open Database

Information card for entry 7717291

Preview

Coordinates	7717291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H88 Cl8 F12 N4
Calculated formula	C68 H88 Cl8 F12 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	14.6927 ± 0.0008 Å
b	18.5978 ± 0.0011 Å
c	14.5593 ± 0.0008 Å
α	90°
β	112.463 ± 0.002°
γ	90°
Cell volume	3676.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0759
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
296501 (current)	2024-12-06	cif/ Updating files of 7717291, 7717292, 7717293 Original log message: Adding full bibliography for 7717291--7717293.cif.	7717291.cif
295616	2024-10-25	cif/ Adding structures of 7717291, 7717292, 7717293 via cif-deposit CGI script.	7717291.cif