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Information card for entry 4503575
Preview
| Coordinates | 4503575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H116 N24 Ni8 O74 |
|---|---|
| Calculated formula | C76 H80 N24 Ni8 O74 |
| SMILES | c1n2c3C(=[O][Ni]4562n2c[n]7c(c2C(=[O]5)O)C(=O)O[Ni]2587[n]7cn9c(C(=[O][Ni]%10%11%129n9c[n]%13c(c9C(=O)O%11)C(=O)O[Ni]9%11%13([n]1c3C(=[O]9)O)[n]1cn3c(C(=[O][Ni]9%13%143n3c[n]%15c(c3C(=[O]%13)O)C(=[O][Ni]3%13%15([n]%15cn%16c(C(=O)O[Ni]%17%18%16(n%16c[n]%19c(c%16C(=[O]%17)O)C(=[O][Ni]%16%17%19([n]%19cn9c(C(=O)O%14)c%19C(=O)O%16)[n]9cn%10c(C(=[O]%12)O)c9C(=[O]%17)O)O)n9c[n]2c(c9C(=[O]%18)O)C(=[O]8)O)c%15C(=O)O3)[n]2cn4c(C(=[O]6)O)c2C(=[O]%13)O)O)O)c1C(=[O]%11)O)O)c7C(=[O]5)O)O.OCC.O.O.O.O.O.OCC.OCC.OCC.OCC.OCC.OCC.OCC.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions |
| Authors of publication | Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2458 |
| a | 19.8543 ± 0.0014 Å |
| b | 25.4617 ± 0.0014 Å |
| c | 28.331 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14322 ± 1.6 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 69 |
| Hermann-Mauguin space group symbol | F m m m |
| Hall space group symbol | -F 2 2 |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.2209 |
| Weighted residual factors for all reflections included in the refinement | 0.2511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4503575.cif |
| 179569 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35. |
4503575.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503575.cif |
| 41642 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503575, 4503576, 4503577, 4503578 via cif-deposit CGI script. |
4503575.cif |
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Users of the data should acknowledge the original authors of the
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