Applications of the Cambridge Structural Database to molecular inorganic chemistry

Orpen, A. Guy

doi:10.1107/s0108768102002446

Cited by 94 publications

(61 citation statements)

References 94 publications

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“…A search in the Cambridge Structural Database (CSD, [31,32] version 5.29, November 2007) for structures of palladium and platinum with a similar coordination environment of a phosphorus atom, a nitrogen atom, a carbon atom, and a halogen restricted to an angle P-Pd-N close to 90°(see Table 2) displayed 71 hits with 83 structures of complexes of palladium or platinum with this coordination environment and in all of them the carbon atom coordinated to the palladium locates in the cis position to the phosphorus atom as we have found in our complexes. A similar search replacing a halogen atom for a nitrogen atom, trying to find similar situations to the complex 3a, displayed 120 hits with 153 structures.…”

Section: Structural Preferencementioning

confidence: 99%

Isomeric Preference in Complexes of Palladium(II) with Chelating P,N‐Donor Ligands

et al. 2009

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Square-planar complexes [PdCl{κ 2 -(RN = CHC 6 H 4 PPh 2 )RЈ}] (RЈ = Cl; R = 4-CH 3 C 6 H 4 , 1a; R = 2-CH 3 OC 6 H 4 , 1b; R = 2-HOC 6 H 4 , 1c; RЈ = CH 3 ; R = 4-CH 3 C 6 H 4 , 2a; R = 2-CH 3 OC 6 H 4 , 2b; R = 2-HOC 6 H 4 , 2c) have been prepared and characterized. In complexes 2a-c only formation of one isomer was observed. The Pd-methyl bond arranges in a cis position to the phosphane fragment of the P,N chelating ligand. Reaction of complexes 2a-c in acetonitrile with AgBF 4 led to removal of the chlorido ligand and coordination of acetonitrile

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Section: Structural Preferencementioning

confidence: 99%

Isomeric Preference in Complexes of Palladium(II) with Chelating P,N‐Donor Ligands

et al. 2009

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“…2Basic stereochemical features of typical four- and five-coordinated metalloporphyrins, manifesting the flexibility of the porphyrin moiety: a flat CoPp (D 4h ), b ruffled CoPp (D 4h ), c axially ligated FeClPp (C 4v ), where Pp is C 60 H 60 N 4 , the porphyrin ligand. All structures are adapted from the Cambridge Structural Database (CSD) [26, 27]: TEFPID, TPORCP12, and KANYUT, respectively…”

Section: Introductionmentioning

confidence: 99%

Metalloporphyrin intercalation in liposome membranes: ESR study

et al. 2010

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Liposomes characterized by membranes featuring diverse fluidity (liquid-crystalline and/or gel phase), prepared from egg yolk lecithin (EYL) and dipalmitoylphosphatidylcholine (DPPC), were doped with selected metalloporphyrins and the time-related structural and dynamic changes within the lipid double layer were investigated. Porphyrin complexes of Mg(II), Mn(III), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and the metal-free base were embedded into the particular liposome systems and tested for 350 h at 24°C using the electron spin resonance (ESR) spin probe technique. 5-DOXYL, 12-DOXYL, and 16-DOXYL stearic acid methyl ester spin labels were applied to explore the interior of the lipid bilayer. Only the 16-DOXYL spin probe detected evident structural changes inside the lipid system due to porphyrin intercalation. Fluidity of the lipid system and the type of the porphyrin complex introduced significantly affected the intermolecular interactions, which in certain cases may result in self-assembly of metalloporphyrin molecules within the liposome membrane, reflected in the presence of new lines in the relevant ESR spectra. The most pronounced time-related effects were demonstrated by the EYL liposomes (liquid-crystalline phase) when doped with Mg and Co porphyrins, whereas practically no spectral changes were revealed for the metal-free base and both the Ni and Zn dopants. ESR spectra of the porphyrin-doped gel phase of DPPC liposomes did not show any extra lines; however, they indicated the formation of a more rigid lipid medium. Electronic configuration of the porphyrin’s metal center appeared crucial to the degree of molecular reorganization within the phospholipid bilayer system.Electronic supplementary materialThe online version of this article (doi:10.1007/s00775-010-0715-1) contains supplementary material, which is available to authorized users.

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“…The compression of the S-C2-N bond angle upon metallation is accompanied by a distinct elongation of the C2-S1 and, to a slighter extent, of the C2-N3 bond. Identical modifications have been noted when comparing the more abundant structural data of benzothiazolium salts with benzothiazolylidene nickel and palladium complexes [21].…”

Section: Molecular Structures Of 1a 2b and 3bmentioning

confidence: 69%

Normal and abnormal carbene complexes derived from thiazole: Preparation and a preliminary investigation of their relative catalytic performance

et al. 2011

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Readily prepared 2-, 4-and 5-bromo-3-methyl thiazolium triflates react by oxidative substitution with M(PPh 3 ) 4 (M = Ni or Pd) to furnish five of the expected normal and abnormal cationic thiazolylidene complexes (1a, 1b, 2a, 2b, and 3b). Carbene complex formation is accompanied by a ca. 40 ppm downfield shift of the a-N carbene carbons in Pd complexes 1 and 2 in their 13 C NMR spectra but the chemical shift of C(carbene) in the abnormal 3b (d 135.7) is particularly low. Crystal and molecular structures of complexes 1a, 2b, and 3b all indicate a square planar arrangement of the ligands around the central metal atoms. The new complexes catalyse Suzuki-Miyaura aryl coupling.

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Applications of the Cambridge Structural Database to molecular inorganic chemistry

Cited by 94 publications

References 94 publications

Isomeric Preference in Complexes of Palladium(II) with Chelating P,N‐Donor Ligands

Isomeric Preference in Complexes of Palladium(II) with Chelating P,N‐Donor Ligands

Metalloporphyrin intercalation in liposome membranes: ESR study

Normal and abnormal carbene complexes derived from thiazole: Preparation and a preliminary investigation of their relative catalytic performance

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