Crystallography Open Database

Information card for entry 4339204

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Structure parameters

Formula	C28 H18 Cu Ge N4 O10
Calculated formula	C28 H18 Cu Ge N4 O10
SMILES	C1(=O)C(=O)O[Ge]23(O1)([OH][Cu]14([n]5cccc6c5c5c(cc6)ccc[n]15)([n]1cccc5c1c1c(cc5)ccc[n]41)[OH]3)OC(C(=O)O2)=O
Title of publication	Heterodimetallic germanium(IV) complex structures with transition metals.
Authors of publication	Shi, Fa-Nian; Cunha-Silva, Luís; Hardie, Michaele J.; Trindade, Tito; Paz, Filipe A Almeida; Rocha, João
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6502 - 6515
a	15.25 ± 0.003 Å
b	12.032 ± 0.002 Å
c	13.582 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2492.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1387
Residual factor for significantly intense reflections	0.105
Weighted residual factors for significantly intense reflections	0.2622
Weighted residual factors for all reflections included in the refinement	0.2798
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4339204.cif
179495	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339204.cif
117207	2014-06-14	cif/ Adding structures of 4339204 via cif-deposit CGI script.	4339204.cif