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Volumn 129, Issue 7, 1996, Pages 745-757

Conformation of tripod metal in CH3C(CH2PPh2)3MLn(n = 2,3): Neural networks in conformationsl analysis

Author keywords

Conformational analysis; Factor analysis; Neural networks; Triphos ligands

Indexed keywords


EID: 0001701870     PISSN: 00092940     EISSN: None     Source Type: Journal    
DOI: 10.1002/cber.19961290704     Document Type: Article
Times cited : (44)

References (74)
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    • Angew. Chem. Int. Ed Engl. 1990, 29, 1467.
    • M. J. Burk, R. L. Harlow, Anccn. Chem. 1990, 702, 1511 - 1513; Angew. Chem. Int. Ed Engl. 1990, 29, 1467.
    • (1990) Anccn. Chem. , vol.702 , pp. 1511-1513
    • Burk, M.J.1    Harlow, R.L.2
  • 44
    • 33745418189 scopus 로고    scopus 로고
    • note
    • ortho Phcnyi and is an equivalent to the one used here and within the small range of backbone torsional angles T; the parameters as defined by the two different methods are almost exactly linearly correlated. The choice of the definition used within this work is a matter of visualisation: The geometrical meaning of the torsion angles φ is immediately evident in any projection parallel to the P1P2P3 plane (Figure 2a).
  • 48
    • 33745367100 scopus 로고    scopus 로고
    • note
    • Since any general ligand position L is just one of the six positions equivalent under this conformational symmetry every compound tripodML) gives rise to 18 data points.
  • 49
    • 0000855223 scopus 로고
    • Ange w. Chem. Int. Ed Engl. 1982, 21, 330.
    • M. D. Vaira. L. Sacconi, Angew. Chem. 1982, 94. 338-351; Ange w. Chem. Int. Ed Engl. 1982, 21, 330.
    • (1982) Angew. Chem. , vol.94 , pp. 338-351
    • Vaira, M.D.1    Sacconi, L.2
  • 50
    • 33745385184 scopus 로고    scopus 로고
    • note
    • 3v symmetry. By its helicity it may well distort the idealised octahedron pushing the coligands out from an idealised mirror symmetric location. At a coarse resolution this splitting is not apparent (Figure 6b).
  • 51
    • 33745361295 scopus 로고    scopus 로고
    • note
    • While the computational result of cluster analysis is uniquely determined, the pictorial result using dendrograms depends on the sequence of compounds as fed into the analysis. The sequence underlying ihe dendrogram (Figure 8) is arranged such as to best represent the sequence obtained by neural network analysis; it nevertheless nicely reproduces th; classification inferred from PCA.
  • 70
    • 33745411865 scopus 로고    scopus 로고
    • note
    • See data basis given in Table 1. Additional Refcodes of tripod metal templates with M =≠= Co, which were retrieved from CSD under the restriction of 3D parameter definitions: BL'FREZ, BUFREZ10, CAWFIP, COGWOK, CLNUS10, DEPNER, DIVIDIV, DUMSL'Z, FONMUQ, GINLEU, JEDAUO, JEFYAU, PMENSE, BAVRIZ, BAVROF, BAVRO, BISWEF10, BUSLAC, BUSLEG, BUTSIS10, CAFSOR, CASCOO, COVGAV10, CUFTIG10, DAHFIB, DEGZUK, DEYTEG, DOJPIB, DUHZUB, FABJUN, FATXON, FAZFLH, FIDLUZ. FOHMOE, GAGVIT, GINMIZ, GINMOF. J1TZIV, KATGIV, KEDBIE, KEKHAJ, KiSHID, LAKYUR, PAKGOX, PEFYOO, PPMEIR, PPMERH, SACKAI, TAMGOD, VEKRIYL V1TZON10.
  • 71
    • 0004190364 scopus 로고
    • Universität Heidelberg, Heidelberg
    • L. Zsolnai, G. Huttner, XPMA. Universität Heidelberg, Heidelberg, 1995.
    • (1995) XPMA
    • Zsolnai, L.1    Huttner, G.2
  • 72
    • 0042109460 scopus 로고
    • Tripos, St. Louis
    • SYBYL 6.2, Tripos, St. Louis, 1995.
    • (1995) SYBYL 6.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.