Crystallography Open Database

Information card for entry 7240788

Preview

Coordinates	7240788.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Penta-fluorobenzoate-tin-porphrin
Formula	C54 H24 F10 N8 O4 Sn
Calculated formula	C54 H24 F10 N8 O4 Sn
Title of publication	Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis
Authors of publication	Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan
Journal of publication	CrystEngComm
Year of publication	2020
a	8.7422 ± 0.0003 Å
b	12.136 ± 0.0007 Å
c	12.4046 ± 0.0005 Å
α	60.769 ± 0.005°
β	89.027 ± 0.003°
γ	86.065 ± 0.004°
Cell volume	1145.57 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
253505 (current)	2020-06-27	cif/ Adding structures of 7240786, 7240787, 7240788 via cif-deposit CGI script.	7240788.cif