Crystallography Open Database

Information card for entry 7114238

Preview

Coordinates	7114238.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena (mu4-meso-tetrkis(4-pyridyl)porphyrin-iron(II))
Formula	C40 H24 Fe N8
Calculated formula	C40 H24 Fe N8
Title of publication	Unique 2D metalloporphyrin networks constructed from iron(ii) and meso-tetra(4-pyridyl)porphyrin
Authors of publication	Pan, Long; Kelly, Sean; Huang, Xiaoying; Li, Jing
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	20
Pages of publication	2334
a	18.1781 ± 0.0011 Å
b	13.7783 ± 0.0008 Å
c	13.7565 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3445.5 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0993
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
180256 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/42.	7114238.cif
116631	2014-06-13	cif/ Adding structures of 7114238, 7114239 via cif-deposit CGI script.	7114238.cif