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Information card for entry 4343898
Preview
Coordinates | 4343898.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | LCrMn2.2.2 CryptK |
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Formula | C57 H96 Cr K Mn N6 O6 P3 |
Calculated formula | C57 H96 Cr K Mn N6 O6 P3 |
SMILES | c12ccccc1N1C[P](C(C)C)(C(C)C)[Mn]34[Cr]561[N]2(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]4(C(C)C)C(C)C.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9 |
Title of publication | Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping. |
Authors of publication | Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 15 |
Pages of publication | 7579 - 7592 |
a | 11.3119 ± 0.0007 Å |
b | 11.3119 ± 0.0007 Å |
c | 28.5164 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3160.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections included in the refinement | 0.0722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4343898.html
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