Crystallography Open Database

Information card for entry 7218877

Preview

Coordinates	7218877.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Octachloroporphyrin
Chemical name	2,3,7,8,12,13,17,18-Octachloro-5,10,15,20-tetraphenylporphyrin
Formula	C48 H30 Cl8 N6 O2
Calculated formula	C48 H30 Cl8 N6 O2
Title of publication	Colorimetric “Naked eye” detection of CN-, F-, CH3COO- and H2PO4- ions by highly nonplanar electron deficient perhaloporphyrins
Authors of publication	Chaudhri, Nivedita; Sankar, Muniappan
Journal of publication	RSC Adv.
Year of publication	2014
a	19.88 ± 0.003 Å
b	19.88 ± 0.004 Å
c	13.146 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5195.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1281
Residual factor for significantly intense reflections	0.1132
Weighted residual factors for significantly intense reflections	0.3293
Weighted residual factors for all reflections included in the refinement	0.3457
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7218877.cif
127810	2014-11-22	cif/ Adding structures of 7218877 via cif-deposit CGI script.	7218877.cif