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Information card for entry 4337017
Preview
| Coordinates | 4337017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H92 N4 Pd4 Zn8 |
|---|---|
| Calculated formula | C72 H92 N4 Pd4 Zn8 |
| SMILES | C[c]12[Zn]3456([Pd]789%10%11(C#[N]c%12ccccc%12)[Zn]%12(C)[Pd]%13%14%157(C#[N]c7ccccc7)([Pd]7%16%17(C#[N]c%18ccccc%18)([Pd]68%12(C#[N]c6ccccc6)([Zn]68%12%187[c]7([c]6([c]8([c]%12([c]%187C)C)C)C)C)([Zn]%14%16C)[Zn]%11%17C)([Zn]678%11%13[c]%12([c]6([c]7([c]8([c]%11%12C)C)C)C)C)[Zn]%10%15C)[Zn]678%109[c]9([c]6([c]7([c]8([c]%109C)C)C)C)C)[c]1([c]3([c]4([c]25C)C)C)C |
| Title of publication | Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions |
| Authors of publication | Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 14275 - 14283 |
| a | 15.8533 ± 0.0004 Å |
| b | 15.8533 ± 0.0004 Å |
| c | 14.9665 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3761.5 ± 0.2 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278046 (current) | 2022-09-21 | cod/ Updated space group information using the 'cif_filter' program. |
4337017.cif |
| 179473 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70. |
4337017.cif |
| 103083 | 2014-02-25 | cif/ Adding structures of 4337017 via cif-deposit CGI script. |
4337017.cif |
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Users of the data should acknowledge the original authors of the
structural data.