Structural analysis of all the nickel 14-membered tetraaza macrocycles in the Cambridge structural database

被引：77

作者：

Donnelly, MA ^{[1
]}

Zimmer, M ^{[1
]}

机构：

[1] Connecticut Coll, Dept Chem, New London, CT 06320 USA

来源：

INORGANIC CHEMISTRY | 1999年 / 38卷 / 08期

关键词：

D O I：

10.1021/ic980918f

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

One hundred and thirty-nine nickel complexes containing the 1,4,8,11-tetraazacyclotetradecane backbone were found in the Cambridge Structural Database. Cluster analysis was used to separate the structures according to their macrocyclic configurations, using their conformations as a separation criteria. The most commonly found configuration was the trans III configuration. The amount of trans I macrocycles relative to trans III macrocycles was found to be higher for square-planar complexes than octahedral ones. Molecular mechanical conformational searches were done for select structures found in the Cambridge Structural Database.

引用

页码：1650 / 1658

页数：9

共 135 条

[1] MACROCYCLIC LIGAND RING SIZE EFFECTS .2. SYNTHETIC, STRUCTURAL AND ELECTROCHEMICAL STUDIES OF THE INTERACTION OF NI-2 WITH 14-MEMBERED TETRAAZA MACROCYCLES CONTAINING FUSED DIBENZO SUBSTITUENTS [J].

ADAM, KR ;

ANTOLOVICH, M ;

BRIGDEN, LG ;

LEONG, AJ ;

LINDOY, LF ;

BAILLIE, PJ ;

UPPAL, DK ;

MCPARTLIN, M ;

SHAH, B ;

PROSERPIO, D ;

FABBRIZZI, L ;

TASKER, PA .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1991, (10) :2493-2501

[2] Evaluation of the semiempirical PM3(tm) method for modeling high- and low-spin nickel(II) complexes of an extended series of tetraaza macrocycles [J].

Adam, KR ;

Atkinson, IM ;

Lindoy, LF .

JOURNAL OF MOLECULAR STRUCTURE, 1996, 384 (2-3) :183-190

[3] COMPARATIVE MOLECULAR MECHANICS STUDY OF THE HIGH-SPIN NICKEL(II) COMPLEXES OF AN EXTENDED SERIES OF TETRAAZA MACROCYCLES [J].

ADAM, KR ;

ATKINSON, IM ;

ANTOLOVICH, M ;

BRIGDEN, LG ;

LINDOY, LF .

JOURNAL OF MOLECULAR STRUCTURE, 1994, 323 :223-231

[4] COMPARATIVE MOLECULAR MECHANICS STUDY OF THE LOW-SPIN NICKEL(II) COMPLEXES OF AN EXTENDED SERIES OF TETRAAZA MACROCYCLES [J].

ADAM, KR ;

ANTOLOVICH, M ;

BRIGDEN, LG ;

LINDOY, LF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (09) :3346-3351

[5] MRI CONTRAST AGENTS - MACROCYCLIC LANTHANIDE(III) COMPLEXES WITH IMPROVED RELAXATION EFFICIENCY [J].

AIME, S ;

BOTTA, N ;

CRICH, SG ;

GIOVENZANA, GB ;

JOMMI, G ;

PAGLIARIN, R ;

SISTI, M .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1995, (18) :1885-1886

[6] A GENERAL SYNTHETIC ROUTE TO FULLY N-ALKYLATED AZAMACROCYCLES, AND AN UNCOMMON GEOMETRY FOR A 6-COORDINATE NICKEL(II) COMPLEX OF 1,4,8,11-TETRAPROPYL-1,4,8,11-TETRAAZACYCLOTETRADECANE (L1) - CRYSTAL-STRUCTURE OF TRANS-(R,S,R,S)-[NI(L1)(NCS)2] [J].

ALCOCK, NW ;

BENNISTON, AC ;

GRANT, SJ ;

OMAR, HAA ;

MOORE, P .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1991, (21) :1573-1575

[7]

Allen F.H., 1993, CHEM AUTOMAT NEWS, V8, P31

[8] THE DEVELOPMENT OF VERSION-3 AND VERSION-4 OF THE CAMBRIDGE STRUCTURAL DATABASE SYSTEM [J].

ALLEN, FH ;

DAVIES, JE ;

GALLOY, JJ ;

JOHNSON, O ;

KENNARD, O ;

MACRAE, CF ;

MITCHELL, EM ;

MITCHELL, GF ;

SMITH, JM ;

WATSON, DG .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (02) :187-204

[9] CHARACTERIZATION OF 2,2'-BI-(1,4,8,11-TETRA-AZACYCLOTETRADECANE) - X-RAY STRUCTURE AND PROPERTIES OF THE DINUCLEAR COMPLEX [NI2(C20H46N8)][C1O4]4 [J].

BAREFIELD, EK ;

CHUENG, D ;

VANDERVEER, DG .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1981, (06) :302-304

[10] ELECTROCHEMICAL AND STRUCTURAL STUDIES OF NICKEL(II) COMPLEXES OF N-ALKYLATED CYCLAM LIGANDS - X-RAY STRUCTURES OF TRANS-[NI(C14H32N4)(OH2)2]CL2.2H2O AND [NI(C14H32N4)](O3SCF3)2 [J].

BAREFIELD, EK ;

FREEMAN, GM ;

VANDERVEER, DG .

INORGANIC CHEMISTRY, 1986, 25 (04) :552-558

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