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Information card for entry 7006480
Preview
Coordinates | 7006480.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H36 Ag2 Fe2 N10 O6 |
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Calculated formula | C43 H33 Ag2 Fe2 N10 O6 |
SMILES | [Ag]([n]1ccnc([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27895634[c]3([cH]7[cH]8[cH]9[cH]23)c2c[n]([Ag]3)ccn2)c1)([n]1ccnc([c]24[cH]5[cH]6[cH]7[cH]2[Fe]289%104567[c]4([cH]2[cH]8[cH]9[cH]%104)c2c[n]3ccn2)c1)ON(=O)=O.c1(ccccc1)C.N(=O)(=O)[O-] |
Title of publication | Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes. |
Authors of publication | Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 5 |
Pages of publication | 693 - 704 |
a | 20.5823 ± 0.0011 Å |
b | 13.2444 ± 0.0007 Å |
c | 14.9704 ± 0.0008 Å |
α | 90° |
β | 97.612 ± 0.001° |
γ | 90° |
Cell volume | 4045 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0914 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.