Crystallography Open Database

Information card for entry 2241451

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Structure parameters

Chemical name	(4-Cyanopyridine-κ<i>N</i>)]{5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc‒4-cyanopyridine (1/1)
Formula	C84 H52 N8 O8 Zn
Calculated formula	C84 H52 N8 O8 Zn
Title of publication	Crystal structure of (4-cyanopyridine-κ<i>N</i>){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^<i>N</i>}zinc‒4-cyanopyridine (1/1)
Authors of publication	Nasri, Soumaya; Amiri, Nesrine; Turowska-Tyrk, Ilona; Daran, Jean-Claude; Nasri, Habib
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	164 - 169
a	11.8587 ± 0.0003 Å
b	16.1619 ± 0.0005 Å
c	19.2167 ± 0.0005 Å
α	68.207 ± 0.003°
β	81.077 ± 0.002°
γ	86.866 ± 0.002°
Cell volume	3378.43 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241451.cif 2241451.hkl
174435	2016-01-14	cif/ hkl/ Adding structures of 2241451 via cif-deposit CGI script.	2241451.cif 2241451.hkl