Crystallography Open Database

Information card for entry 7057245

Preview

Coordinates	7057245.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-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)
Formula	C49 H25 Cl7 N6 O2 Zn
Calculated formula	C49 H25 Cl7 N5.9688 O1.9376 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	22.161 ± 0.007 Å
b	14.459 ± 0.004 Å
c	29.775 ± 0.009 Å
α	90°
β	105.085 ± 0.012°
γ	90°
Cell volume	9212 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0941
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7057245.cif
207256	2018-04-07	cif/ Adding structures of 7057241, 7057242, 7057243, 7057244, 7057245 via cif-deposit CGI script.	7057245.cif