Crystallography Open Database

Information card for entry 7216269

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Structure parameters

Formula	C65 H46 N8 O10 Zn
Calculated formula	C65 H46 N8 O10 Zn
Title of publication	Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins
Authors of publication	Vinodu, Mikki; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	87
Pages of publication	490
a	16.188 ± 0.0004 Å
b	19.606 ± 0.0005 Å
c	18.203 ± 0.0005 Å
α	90°
β	109.438 ± 0.001°
γ	90°
Cell volume	5448 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7216269.cif
180493	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62.	7216269.cif
115344	2014-06-03	cif/ Adding structures of 7216268, 7216269 via cif-deposit CGI script.	7216269.cif