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Information card for entry 7015605
Preview
Coordinates | 7015605.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C164 H136 Cu4 Fe8 O26 P10 |
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Calculated formula | C164 H136 Cu4 Fe8 O26 P10 |
SMILES | [C]1234[Cu]567(C(=O)[Fe]836(C#[O])([Fe]315(C#[O])(C#[O])(C#[O])[Fe]28(C#[O])(C#[O])(C#[O])[Fe]473(C#[O])(C#[O])C#[O])C#[O])[P](CC[P]([Cu]1234[C]567[Fe]892(C#[O])(C#[O])(C#[O])[Fe]5(C#[O])(C#[O])(C#[O])([Fe]368(C#[O])(C1=O)C#[O])[Fe]479(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P]1([Cu]2([P](c3ccccc3)(c3ccccc3)CC1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C1COCC1.[P]1([Cu]2([P](c3ccccc3)(c3ccccc3)CC1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1 |
Title of publication | Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays. |
Authors of publication | Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 20 |
Pages of publication | 5464 - 5475 |
a | 12.2567 ± 0.0007 Å |
b | 17.5161 ± 0.001 Å |
c | 19.6579 ± 0.0011 Å |
α | 97.503 ± 0.001° |
β | 106.886 ± 0.002° |
γ | 99.215 ± 0.001° |
Cell volume | 3915.6 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Goodness-of-fit parameter for all reflections | 1.046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015605.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015605.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015605.cif |
21202 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015605, 7015606, 7015607, 7015608, 7015609 via cif-deposit CGI script. |
7015605.cif |
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Users of the data should acknowledge the original authors of the
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