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Information card for entry 4103957
Preview
Coordinates | 4103957.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H96 Cl8 Fe2 N10 O2 |
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Calculated formula | C76 H96 Cl8 Fe2 N10 O2 |
Title of publication | A Stable Hyponitrite-Bridged Iron Porphyrin Complex |
Authors of publication | Nan Xu; Adam L. O. Campbell; Douglas R. Powell; Jana Khandogin; George B. Richter-Addo |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 2460 - 2461 |
a | 11.783 ± 0.004 Å |
b | 13.808 ± 0.005 Å |
c | 14.15 ± 0.005 Å |
α | 61.399 ± 0.008° |
β | 73.84 ± 0.008° |
γ | 76.439 ± 0.007° |
Cell volume | 1927.4 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0504 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178785 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/39. |
4103957.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103957.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103957.cif |
28434 | 2011-10-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4103957 via cif-deposit CGI script. |
4103957.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.