Crystallography Open Database

Information card for entry 4303023

Preview

Coordinates	4303023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C382 H386 Cl24 N28 O2 Zn4
Calculated formula	C382 H386 Cl24 N28 O2 Zn4
Title of publication	Three-Component Noncovalent Assembly Consisting of a Central Tetrakis-4-pyridyl Porphyrin and Two Lateral Gable-Like Bis-Zn Porphyrins
Authors of publication	Maryline Beyler; Valérie Heitz; Jean-Pierre Sauvage; Barbara Ventura; Lucia Flamigni; Kari Rissanen
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8263 - 8270
a	43.456 ± 0.0008 Å
b	32.734 ± 0.0006 Å
c	16.233 ± 0.0005 Å
α	90°
β	93.049 ± 0.004°
γ	90°
Cell volume	23058.6 ± 0.9 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1623
Residual factor for significantly intense reflections	0.1257
Weighted residual factors for significantly intense reflections	0.34
Weighted residual factors for all reflections included in the refinement	0.3632
Goodness-of-fit parameter for all reflections included in the refinement	1.263
Diffraction radiation probe	x-ray
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
179068 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/30.	4303023.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303023.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303023.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303023.cif