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Information card for entry 2240510
Preview
Coordinates | 2240510.cif |
---|---|
Structure factors | 2240510.hkl |
Original IUCr paper | HTML |
Chemical name | Ruthenocenecarbonitrile |
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Formula | C11 H9 N Ru |
Calculated formula | C11 H9 N Ru |
SMILES | C(#N)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]7[cH]8[cH]62 |
Title of publication | Crystal structure of ruthenocenecarbonitrile |
Authors of publication | Strehler, Frank; Korb, Marcus; Lang, Heinrich |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 4 |
Pages of publication | 398 - 401 |
a | 7.2023 ± 0.0002 Å |
b | 8.6802 ± 0.0002 Å |
c | 7.2922 ± 0.0001 Å |
α | 90° |
β | 106.497 ± 0.002° |
γ | 90° |
Cell volume | 437.123 ± 0.017 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0125 |
Residual factor for significantly intense reflections | 0.012 |
Weighted residual factors for significantly intense reflections | 0.0319 |
Weighted residual factors for all reflections included in the refinement | 0.0321 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240510.cif 2240510.hkl |
181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240510.cif 2240510.hkl |
176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240510.cif 2240510.hkl |
134243 | 2015-03-22 | cif/ hkl/ Adding structures of 2240510 via cif-deposit CGI script. |
2240510.cif 2240510.hkl |
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Users of the data should acknowledge the original authors of the
structural data.