Crystallography Open Database

Information card for entry 4109553

Preview

Coordinates	4109553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H43 Ge N7
Calculated formula	C59 H43 Ge N7
SMILES	[Ge]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1
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	9.603 ± 0.003 Å
b	11.992 ± 0.004 Å
c	20.484 ± 0.007 Å
α	90.185 ± 0.005°
β	101.13 ± 0.005°
γ	104.608 ± 0.005°
Cell volume	2236.4 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4109553.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109553.cif
58330	2012-05-28	cif/ Adding structures of 4109553 via cif-deposit CGI script.	4109553.cif