Crystallography Open Database

Information card for entry 7018925

Preview

Coordinates	7018925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H101 Cu3 Ge2 Mo18 N8 Na5 O98
Calculated formula	C8 H36 Cu3 Ge2 Mo18 N8 Na5 O98
SMILES	C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C(C[NH3+])[NH3+].O=[Mo]123(=O)[O]4[Mo]567(=O)O[Mo]89(=[O][Cu]%10%11[O]%12[Cu]%13([O]%10[Ge]%10([O]379)[O]37[Mo]9%14(=O)(=O)[O]%15[Mo]4(=O)(=O)([O]6[Mo]43%15(=O)O[Mo]3(=O)([O]%10[Mo](O8)(O5)(=O)(=O)O3)(=O)O[Mo]7(=O)(O4)(O%14)=[O]%13)O29)[O]=[Mo]234(=O)[O]56[Ge]7%12[O]89[Mo]%10%12%13(=O)[O]%14[Mo]%159(=O)([O]9[Mo]5(=O)(=O)([O]5[Mo]6(=O)([O]%10[Mo]%1495(=O)=O)(O[Mo]5(=O)([O]7[Mo](=O)(O%12)(O[Mo]8(=O)(O%13)(O%15)=[O]%11)(=O)O5)(=O)O4)O3)O2)=O)(O1)=O.O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.C(C[NH3+])[NH3+].O.O
Title of publication	Four di-Cu(II)-substituted sandwich-type germanomolybdates obtained under different reaction conditions: from zero-dimensional to two-dimensional structure.
Authors of publication	Li, Suzhi; Guo, Yuan Yuan; Zhang, Dongdi; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5235 - 5240
a	12.68 ± 0.006 Å
b	13.08 ± 0.007 Å
c	18.38 ± 0.009 Å
α	109.12 ± 0.009°
β	93.601 ± 0.01°
γ	114.369 ± 0.009°
Cell volume	2553 ± 2 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	0.104
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179893 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89.	7018925.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018925.cif
55996	2012-05-08	cif/ Adding structures of 7018923, 7018924, 7018925, 7018926 via cif-deposit CGI script.	7018925.cif