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Information card for entry 4342263
Preview
Coordinates | 4342263.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H29 Cl3 N8 Ni |
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Calculated formula | C41 H29 Cl3 N8 Ni |
SMILES | c1ccc2C(=c3ccc[n]3[Ni]34(n12)([n]1cccc1=C(c1cccn31)c1ccncc1)[n]1cccc2c1c1c(ccc[n]41)cc2)c1ccncc1.C(Cl)(Cl)Cl |
Title of publication | Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks. |
Authors of publication | Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 4 |
Pages of publication | 2032 - 2039 |
a | 10.4834 ± 0.0005 Å |
b | 12.4258 ± 0.0007 Å |
c | 14.6535 ± 0.0009 Å |
α | 84.733 ± 0.002° |
β | 86.098 ± 0.002° |
γ | 71.663 ± 0.002° |
Cell volume | 1802.71 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1193 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1629 |
Weighted residual factors for all reflections included in the refinement | 0.199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4342263.html
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