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Volumn 126, Issue 17, 2004, Pages 5563-5568

Si-E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex: New Facts from Experimental and Theoretical Charge Density Studies

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC CHARGE; FLUORINE; NITROGEN; OXYGEN; TOPOLOGY;

EID: 2342488676     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja038459r     Document Type: Article
Times cited : (128)

References (54)
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    • (a) Kutzelnigg, W. Angew. Chem. 1984, 96, 202; Angew. Chem., Int. Ed. 1984, 23, 272.
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    • (c) Kost, D.; Gostevskii, B.; Kocher, N.; Stalke, D.; Kalikhman, I. Angew. Chem. 2003, 115, 1053; Angew. Chem., Int. Ed. 2003, 42, 1023.
    • (2003) Angew. Chem., Int. Ed. , vol.42 , pp. 1023
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    • note
    • -1; 53 909 reflections measured, 11 448 unique; R(int) = 0.0537 (low angles) and 0.0738 (high angles); wR2 (all data) = 0.1052; R1 (I > 4σ(I)) = 0.0420, for 126 parameters. Crystallographic data have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-208970.
  • 25
    • 0141452964 scopus 로고    scopus 로고
    • Implemented in WINGX: Farrugia, L. J. J. Appl. Crystallogr. 1999, 32, 837. Using the algorithm of: Blessing, B. Acta Crystallogr. 1995, A51, 33.
    • (1999) J. Appl. Crystallogr. , vol.32 , pp. 837
    • Farrugia, L.J.1
  • 26
    • 84977289324 scopus 로고
    • Implemented in WINGX: Farrugia, L. J. J. Appl. Crystallogr. 1999, 32, 837. Using the algorithm of: Blessing, B. Acta Crystallogr. 1995, A51, 33.
    • (1995) Acta Crystallogr. , vol.A51 , pp. 33
    • Blessing, B.1
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    • 0004150157 scopus 로고    scopus 로고
    • Bruker-AXS Inc.: Madison, WI
    • XPREP implemented in: SHELXTL; Bruker-AXS Inc.: Madison, WI, 2000.
    • (2000) SHELXTL
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    • note
    • For further details see Supporting Information.
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    • 0036080039 scopus 로고    scopus 로고
    • WinXPRO: A Program for Calculating Crystal and Molecular Properties Using Multipole Parameters of the Electron Density
    • Stash, A.; Tsirelson, V. WinXPRO: A Program for Calculating Crystal and Molecular Properties Using Multipole Parameters of the Electron Density. J. Appl. Crystallogr. 2002 35, 371.
    • (2002) J. Appl. Crystallogr. , vol.35 , pp. 371
    • Stash, A.1    Tsirelson, V.2
  • 36
    • 0035871851 scopus 로고    scopus 로고
    • AIM2000-A Program to Analyze and Visualize Atoms in Molecules
    • Biegler-König, F.; Schonbohm, J.; Bayles, D. AIM2000-A Program to Analyze and Visualize Atoms in Molecules. J. Comput. Chem. 2001, 22, 545.
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    • To be published
    • -5; distance of N atoms from BCP, 0.9984(53) Å; distance of Si atoms from BCP, 0.7270(49) Å. Kocher, N.; Stalke, D. To be published.
    • Kocher, N.1    Stalke, D.2
  • 46
    • 2342635701 scopus 로고    scopus 로고
    • note
    • We do not distinguish between nonbonding pairs and lone pairs as suggested by Chesnut.31 Electron pairs and charge concentrations not located on or close to a bonding vector are named/termed lone pairs and nonbonding charge concentrations, respectively.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.