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Information card for entry 2207918
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2207918.cif |
---|---|
Original IUCr paper | HTML |
Formula | H40 N2 Ni2 O44 V10 |
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Calculated formula | H40 N2 Ni2 O44 V10 |
SMILES | [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[V]1234(=O)O[V]567(=O)O[V]89(=O)(O1)O[V]1%10%11%12O[V]%13%14%15(O[V]%16%17(=O)(O[V]%18%19([O]%20%10%13%16[V]%10([O]1[V]1(O3)(=O)(O8)[O]479%12[V]%20(O2)([O]6%17)(O%19)[O]%101)(=O)(O%14)O%18)(=O)O%15)[O]5%11)=O.O.O.O.O.[NH4+].[NH4+] |
Title of publication | Diammonium bis[hexaaquanickel(II)] decavanadate tetrahydrate, (NH~4~)~2~[Ni(H~2~O)~6~]~2~V~10~O~28~·4H~2~O |
Authors of publication | Ai-Li Xie; Chun-An Ma; Lian-Bang Wang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 1 |
Pages of publication | i1 - i3 |
a | 8.7728 ± 0.0018 Å |
b | 10.923 ± 0.002 Å |
c | 11.114 ± 0.002 Å |
α | 65.18 ± 0.03° |
β | 73.12 ± 0.03° |
γ | 70.64 ± 0.03° |
Cell volume | 897.6 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0293 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0536 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2207918.html
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