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Information card for entry 7112660
Preview
Coordinates | 7112660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H102 Fe2 N4 O2 Si4 Y2 |
---|---|
Calculated formula | C66 H102 Fe2 N4 O2 Si4 Y2 |
SMILES | [Y]1234(N([Si](C)(C)C(C)(C)C)[c]56[cH]7[Fe]89%10%11%12%135([cH]6[cH]8[cH]79)[c]5([cH]%10[cH]%11[cH]%12[cH]%135)N1[Si](C)(C)C(C)(C)C)([O]1CCCC1)[CH]1=[CH]2[CH]3=[CH]4C2=C1[CH]1[Y]345(N([Si](C)(C)C(C)(C)C)[c]67[cH]8[Fe]9%10%11%12%13%146([cH]8[cH]9[cH]7%10)[c]6([cH]%14[cH]%13[cH]%12[cH]%116)N3[Si](C)(C)C(C)(C)C)([O]3CCCC3)[CH]2=[C]24C=CC=C[C]=152 |
Title of publication | Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies |
Authors of publication | Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 5221 |
a | 15.097 ± 0.008 Å |
b | 26.925 ± 0.015 Å |
c | 20.626 ± 0.011 Å |
α | 90° |
β | 108.031 ± 0.006° |
γ | 90° |
Cell volume | 7972 ± 7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7112660.html
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