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Information card for entry 4323609
Preview
Coordinates | 4323609.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50.67 H62.08 B2 Cl2 Mo2 N14 O8.71 |
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Calculated formula | C50.67 H56.67 B2 Cl2.01 Mo2 N14 O8.705 |
Title of publication | Hydrogen Bonding of CHCl3 to Coordinated Nitric Oxide in a Binuclear Metallomacrocycle and the Crystal Structures of anti-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.2CHCl3.CH2Cl2, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.0.67CHCl3.2.7H2O, and syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.3(CH3)2CO |
Authors of publication | Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Keith Paxton |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 4458 - 4464 |
a | 23.77 ± 0.007 Å |
b | 26.6 ± 0.01 Å |
c | 11.334 ± 0.004 Å |
α | 90° |
β | 99.86 ± 0.02° |
γ | 90° |
Cell volume | 7060 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0779 |
Residual factor for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections | 0.2439 |
Weighted residual factors for significantly intense reflections | 0.2334 |
Goodness-of-fit parameter for all reflections | 1.039 |
Goodness-of-fit parameter for significantly intense reflections | 1.085 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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