Crystallography Open Database

Information card for entry 7029404

Preview

Coordinates	7029404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H56 Cu1.5 Ge N8 Nd O46 W11
Calculated formula	C12 H42 Cu1.5 Ge N8 Nd O46 W11
Title of publication	Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.
Authors of publication	Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	15
Pages of publication	5694 - 5706
a	11.4615 ± 0.0014 Å
b	12.6091 ± 0.0015 Å
c	21.456 ± 0.003 Å
α	85.706 ± 0.002°
β	76.12 ± 0.002°
γ	74.166 ± 0.002°
Cell volume	2895.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029404.cif
108294	2014-03-30	cif/ Adding structures of 7029402, 7029403, 7029404, 7029405, 7029406, 7029407, 7029408 via cif-deposit CGI script.	7029404.cif