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Information card for entry 1550374
Preview
Coordinates | 1550374.cif |
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Structure factors | 1550374.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(benzothiazolium) dodeca-μ-chlorido-hexachlorido-<i>octahedro</i>-hexaniobium(12 <i>Nb—Nb</i>) tetrahydrofuran disolvate |
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Formula | C22 H28 Cl18 N2 Nb6 O2 S2 |
Calculated formula | C22 H28 Cl18 N2 Nb6 O2 S2 |
Title of publication | (C~7~H~6~NS)~2~[Nb~6~Cl~18~]·2C~4~H~8~O: first niobium cluster with an <i>N</i>,<i>S</i>-heterocyclic cation |
Authors of publication | Sperlich, Eric; Köckerling, Martin |
Journal of publication | IUCrData |
Year of publication | 2018 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | x181760 |
a | 8.711 ± 0.0003 Å |
b | 24.171 ± 0.001 Å |
c | 11.0653 ± 0.0004 Å |
α | 90° |
β | 102.598 ± 0.001° |
γ | 90° |
Cell volume | 2273.75 ± 0.15 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0288 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0453 |
Weighted residual factors for all reflections included in the refinement | 0.0472 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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212659 (current) | 2018-12-19 | cif/ hkl/ Adding structures of 1550374 via cif-deposit CGI script. |
1550374.cif 1550374.hkl |
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Users of the data should acknowledge the original authors of the
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