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Information card for entry 4326300
Preview
Coordinates | 4326300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As2 Cu Fe6 H98 Mo22 N12 O110 |
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Calculated formula | As2 Cu Fe6 Mo22 O122 |
Title of publication | Three Banana-Shaped Arsenomolybdates Encapsulating a Hexanuclear Transition-Metal Central Magnetic Cluster: [AsIII2FeIII5MMo22O85(H2O)]n- (M = Fe3+, n = 14; M = Ni2+ and Mn2+, n = 15) |
Authors of publication | Bin Liu; Lili Li; Yanping Zhang; Ying Ma; Huaiming Hu; Ganglin Xue |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9172 - 9177 |
a | 16.1691 ± 0.0015 Å |
b | 18.3676 ± 0.0017 Å |
c | 20.8273 ± 0.0019 Å |
α | 96.626 ± 0.002° |
β | 105.473 ± 0.001° |
γ | 96.841 ± 0.001° |
Cell volume | 5848.4 ± 0.9 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0846 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1932 |
Weighted residual factors for all reflections included in the refinement | 0.2224 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179366 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63. |
4326300.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326300.cif |
47353 | 2012-03-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4326300 via cif-deposit CGI script. |
4326300.cif |
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Users of the data should acknowledge the original authors of the
structural data.