Crystallography Open Database

Information card for entry 7018924

Preview

Coordinates	7018924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H53 Cu2 Ge2 Mo18 N4 Na O79
Calculated formula	C4 H20 Cu2 Ge2 Mo18 N4 Na O79
SMILES	C(C[NH3+])[NH3+].O1[Cu]23[O]4[Cu]5([O]=[Mo]678(O[Mo]9%10([O]%11[Mo]%12%13([O]%14%15[Ge]%16([O]6%10[Mo]6%10([O]9[Mo]9%11([O]%12[Mo]%11%14(=O)(O[Mo]%12(O[Mo]=1%15(=O)(O%13)O%11)(O[Mo](O%10)(O8)(=O)(=O)[O]%16%12)(=O)=O)[O]69)(=O)=O)(=O)O7)[O]25)(=O)=O)(=O)=O)=O)[O]=[Mo]125(=O)O[Mo]67([O]85[Ge]54[O]4[Mo]9%10(O[Mo]4(O2)(=O)(=O)O[Mo]28(O1)([O]7[Mo]14([O]6[Mo]67(=O)(=O)O[Mo]8(O9)(=[O]3)(=O)[O]57[Mo]([O]16)([O]24)(=O)(O8)O%10)(=O)=O)=O)(=O)=O)(=O)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.C(C[NH3+])[NH3+].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	32.627 ± 0.008 Å
b	11.861 ± 0.003 Å
c	22.294 ± 0.006 Å
α	90°
β	96.013 ± 0.005°
γ	90°
Cell volume	8580 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	7018924.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018924.cif
55996	2012-05-08	cif/ Adding structures of 7018923, 7018924, 7018925, 7018926 via cif-deposit CGI script.	7018924.cif