Crystallography Open Database

Information card for entry 7057242

Preview

Coordinates	7057242.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
Chemical name	2,3,7,8,12,13,17-octachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
Formula	C46 H28 Cl7.5 N4.5 O3 Zn
Calculated formula	C46 H28 Cl7.5 N4.5 O3 Zn
Title of publication	Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes
Authors of publication	Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	8190
a	10.4998 ± 0.0007 Å
b	14.4853 ± 0.0009 Å
c	15.9272 ± 0.0011 Å
α	110.246 ± 0.006°
β	97.02 ± 0.006°
γ	103.619 ± 0.005°
Cell volume	2153 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.148
Residual factor for significantly intense reflections	0.1121
Weighted residual factors for significantly intense reflections	0.2957
Weighted residual factors for all reflections included in the refinement	0.3503
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
230189 (current)	2019-11-17	cif/ Updating files of 7057241, 7057242, 7057243, 7057244, 7057245 Original log message: Adding full bibliography for 7057241--7057245.cif.	7057242.cif
207256	2018-04-07	cif/ Adding structures of 7057241, 7057242, 7057243, 7057244, 7057245 via cif-deposit CGI script.	7057242.cif