Crystallography Open Database

Information card for entry 4109552

Preview

Coordinates	4109552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Ge N4
Calculated formula	C44 H28 Ge N4
Title of publication	Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2
Authors of publication	Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7841 - 7847
a	13.302 ± 0.003 Å
b	13.302 ± 0.003 Å
c	9.662 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1709.6 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178841 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95.	4109552.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109552.cif
58329	2012-05-28	cif/ Adding structures of 4109552 via cif-deposit CGI script.	4109552.cif