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Information card for entry 4312765
Preview
Coordinates | 4312765.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H70 Cl2 N12 O10 Pb2 |
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Calculated formula | C42 H70 Cl2 N12 O10 Pb2 |
SMILES | C1C[N]23CC[NH]4CC[N]51CC[NH]1Cc6c([O]7[Pb]134589)c(cc(c6)C)C[NH]1CC[N]34CC[N]56CC[NH](CC4)[Pb]13574[O]9c1c(cc(cc1C[NH]4CC6)C)C[NH]8CC2.Cl(=O)(=O)(=O)[O-].CC#N.Cl(=O)(=O)(=O)[O-].CC#N |
Title of publication | Coordination Chemistry of a New Cofacial Binucleating Macropolycycle Derived from 1,4,7-Triazacyclononane |
Authors of publication | Lorenzo Tei; Massimiliano Arca; M. Carla Aragoni; Andrea Bencini; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Patrizia Fornasari; Alessandra Garau; Francesco Isaia; Vito Lippolis; Martin Schröder; Simon J. Teat; Barbara Valtancoli |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8690 - 8701 |
a | 10.0027 ± 0.0007 Å |
b | 10.7873 ± 0.0008 Å |
c | 12.5946 ± 0.0009 Å |
α | 102.819 ± 0.002° |
β | 106.811 ± 0.002° |
γ | 97.918 ± 0.002° |
Cell volume | 1238.44 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0399 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0795 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4312765.html
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Users of the data should acknowledge the original authors of the
structural data.