Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1532314
Preview
Coordinates | 1532314.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32 |
---|---|
Formula | C30 H64 Fe5 N26 Na16 O36 |
Calculated formula | C30 Fe5 N26 Na16 O36 |
SMILES | C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.C(#[O])[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].O.O.O |
Title of publication | X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion |
Authors of publication | Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J. |
Journal of publication | Journal of Chemical Crystallography |
Year of publication | 2001 |
Journal volume | 31 |
Journal issue | 11-12 |
Pages of publication | 471 - 477 |
a | 16.308 Å |
b | 16.308 Å |
c | 15.418 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4100.43 Å3 |
Number of distinct elements | 6 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
174914 (current) | 2016-01-24 | cif/1/53/ (antanas@kurmis) Updating bibliography for entry 1532314. |
1532314.cif |
158011 | 2015-09-19 | cif/ Adding structures of 1532314 via cif-deposit CGI script. |
1532314.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.