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Information card for entry 4063041
Preview
Coordinates | 4063041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H56 Cl2 Cr Fe6 N6 O6 V |
---|---|
Calculated formula | C73 H56 Cl2 Cr Fe6 N6 O6 V |
SMILES | [Cr](C#[N][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[N][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(C#[N][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[N][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(C#[N][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)C#[N][c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61.[V](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O].ClCCl |
Title of publication | Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation |
Authors of publication | Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin |
Journal of publication | Organometallics |
Year of publication | 2004 |
a | 13.0914 ± 0.0007 Å |
b | 16.6234 ± 0.0009 Å |
c | 16.8244 ± 0.0009 Å |
α | 68.977 ± 0.002° |
β | 77.423 ± 0.002° |
γ | 87.49 ± 0.002° |
Cell volume | 3333.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063041.html
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