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Information card for entry 7031856
Preview
Coordinates | 7031856.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H254 Fe2 Ge4 Mn3 Mo44 N28 Na2 O194 |
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Calculated formula | C50 H70 Fe2 Ge4 Mn3 Mo44 N17 O167 |
SMILES | C(#[N][Mn]1234[O]56[Ge]78[O]9%10[Mo]%11%12(=[O]3)(O[Mo]3%139(O[Mo]96(O[Mo]65(=O)(O[Mo]5%14%15(O[Mo]%16%17(O[Mo]%18%19(O[Mo]%20([O]75[Mo](=[O]2)(O%15)(O%11)(=O)O%20)(O%14)(=O)O[Mo]%10(O%13)(O%19)(=O)O%12)([O]8%17[Mo](O9)(O%16)(O3)(=O)O%18)=O)(O6)=O)=O)=[O]4)(=[O]1)=O)=O)=O)[Fe](C#N)(C#[N][Fe]1234[O]56[Mo]78(=O)(O[Mo]96(O[Mo]6%10%11(O[Mo]%12%13(O[Mo]%14%15(=O)([O]%10%12[Ge]%105[O]5%12[Mo]%16%17(=O)(O%15)O[Mo]5(=O)(O8)(O[Mo]%12(=[O]3)(O%13)(=O)O%16)O[Mo]35(=O)(O7)[O]7%10[Mo](O[Mo]7(=O)(O6)(O5)O9)(O%14)(=O)(O3)O%17)O%11)(=[O]2)=O)=O)(=[O]1)=O)=[O]4)(C#[N][Mn]1234[O]56[Mo]78(=O)(O[Mo]96(O[Mo]6%10%11(O[Mo]%12%13(O[Mo]%14%15(=O)([O]%10%12[Ge]%105[O]5%12[Mo]%16%17(=O)(O%15)O[Mo]5(=O)(O8)(O[Mo]%12(=[O]3)(O%13)(=O)O%16)O[Mo]35(=O)(O7)[O]7%10[Mo](O[Mo]7(=O)(O6)(O5)O9)(O%14)(=O)(O3)O%17)O%11)(=[O]2)=O)=O)(=[O]1)=O)=[O]4)(C#[N][Mn]1234[O]56[Ge]78[O]9%10[Mo]%11%12%13(O[Mo]%14%10(=O)(O[Mo]%10%15(=[O]2)([O]27[Mo]7%16(O[Mo]%17%18%19(O[Mo]%20(O[Mo]2(O%15)(O%16)(=O)O%12)([O]8%19[Mo]2(O[Mo]9(=O)(O%14)(O[Mo]6(O[Mo]5(=O)(O7)(O%17)=[O]4)(=[O]1)(O2)=O)O%11)(O%18)(=O)O%20)(=O)O%13)=O)(=O)O%10)=O)=[O]3)=O)C#N.C1OCCNC1.C1CNCCO1.N1CCOCC1.N1CCOCC1.N1CCOCC1.O1CCNCC1.O1CCNCC1.O1CCNCC1.O1CCNCC1.O1CCNCC1.O1CCNCC1 |
Title of publication | Unusual assembly of lacunary heteropolymolybdates with cyanometalate fragment. |
Authors of publication | Wang, Ya; Jiang, Ning; Li, Fengyan; Zheng, Yanzhen; Xu, Lin; Sun, Minghui |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 43 |
Pages of publication | 16147 - 16151 |
a | 16.98 ± 0.002 Å |
b | 22.097 ± 0.003 Å |
c | 23.703 ± 0.003 Å |
α | 103.893 ± 0.002° |
β | 108.851 ± 0.002° |
γ | 104.898 ± 0.002° |
Cell volume | 7608.8 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1303 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.1399 |
Weighted residual factors for all reflections included in the refinement | 0.1527 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031856.html
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