Crystallography Open Database

Information card for entry 4029742

Preview

Coordinates	4029742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H30 Cl14 N8 Zn2
Calculated formula	C46 H30 Cl14 N8 Zn2
Title of publication	Versatile supramolecular reactivity of zinc-tetra(4-pyridyl)porphyrin in crystalline solids: Polymeric grids with zinc dichloride and hydrogen-bonded networks with mellitic acid.
Authors of publication	Lipstman, Sophia; Goldberg, Israel
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2009
Journal volume	5
Pages of publication	77
a	19.1157 ± 0.0002 Å
b	12.9275 ± 0.0002 Å
c	21.8495 ± 0.0002 Å
α	90°
β	103.396 ± 0.0006°
γ	90°
Cell volume	5252.51 ± 0.11 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178476 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97.	4029742.cif
120265	2014-07-14	cif/ Adding structures of 4029742 via cif-deposit CGI script.	4029742.cif