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Information card for entry 1518798
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| Coordinates | 1518798.cif |
|---|---|
| Structure factors | 1518798.hkl |
| Common name | diruthenium tetra-acetate cobalt phthalocyanine dicyanide |
|---|---|
| Formula | C42 H28 Co N10 O8 Ru2 |
| Calculated formula | C42 H28 Co N10 O8 Ru2 |
| SMILES | [Ru]1234([O]=C(O[Ru]2([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O4)C)C)[N]#C[Co]123([n]4c5N=c6n3c(=Nc3[n]1c(=Nc1n2c(N=c4c2c5cccc2)c2c1cccc2)c1c3cccc1)c1c6cccc1)C#[N][Ru]1234[Ru]([O]=C(O1)C)([N]#C[Co]156([n]7c8N=c9n6c(=Nc6[n]1c(=Nc1n5c(N=c7c5c8cccc5)c5c1cccc5)c1c6cccc1)c1c9cccc1)C#N)(OC(=[O]2)C)([O]=C(O3)C)OC(=[O]4)C |
| Title of publication | Linear (1-D) chain structure of [Ru2(O2CMe)4]+[CoIIIPc(CN)2]- determined via synchrotron powder diffraction data |
| Authors of publication | Kevin H. Stone; Peter W. Stephens; Megan B. Wainer; Royce A. Davidson; Joel S. Miller |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2015 |
| Journal volume | 424 |
| Pages of publication | 116 - 119 |
| a | 17.3635 ± 0.0005 Å |
| b | 17.3635 ± 0.0005 Å |
| c | 13.0372 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3930.6 ± 0.2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :1 |
| Hall space group symbol | I 4bw -1bw |
| Residual factor R(I) for significantly intense reflections | 0.0275 |
| Goodness-of-fit parameter for all reflections | 2.306 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.69994 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181862 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1518798.cif 1518798.hkl |
| 180706 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518798.cif 1518798.hkl |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518798.cif 1518798.hkl |
| 134142 | 2015-03-19 | 1/51/87/ Bringing back the original tags, which had to be replaced with _refln_index_[hkl] in order to fit the requirement to have aforementioned tags. |
1518798.cif 1518798.hkl |
| 133658 | 2015-03-08 | cif/ hkl/ Updating files of 1518798 Original log message: error on names corrected |
1518798.cif 1518798.hkl |
| 133657 | 2015-03-08 | cif/ hkl/ Adding structures of 1518798 via cif-deposit CGI script. |
1518798.cif 1518798.hkl |
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Users of the data should acknowledge the original authors of the
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