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Information card for entry 7056835
Preview
Coordinates | 7056835.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H37 N6 O3 Rh |
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Calculated formula | C32 H37 N6 O3 Rh |
SMILES | [Rh]12345([N](=C(N1c1c(OC)cccc1)Nc1c(OC)cccc1)c1c(OC)cccc1)(N=N#N)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C |
Title of publication | Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato) |
Authors of publication | Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 3 |
Pages of publication | 1853 |
a | 7.7877 ± 0.0002 Å |
b | 10.8878 ± 0.0003 Å |
c | 18.3953 ± 0.0005 Å |
α | 93.177 ± 0.002° |
β | 100.148 ± 0.002° |
γ | 98.666 ± 0.002° |
Cell volume | 1512.43 ± 0.07 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0333 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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