Topological relations between three-periodic nets. II. Binodal nets

被引：169

作者：

Blatov, Vladislav A. ^{[1
]}

Proserpio, Davide M. ^{[2
]}

机构：

[1] Samara State Univ, Samara 443011, Russia

[2] Univ Milan, DCSSI, I-20133 Milan, Italy

来源：

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2009年 / 65卷

关键词：

CAMBRIDGE STRUCTURAL DATABASE; HYDROGEN-BONDED FRAMEWORKS; INORGANIC 3D NETWORKS; CRYSTAL NETS; CRYSTALLOGRAPHIC NETS; RETICULAR CHEMISTRY; ORGANIC-CRYSTALS; SPHERE PACKINGS; PERIODIC NETS; MINIMAL NETS;

D O I：

10.1107/S0108767309006096

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The TOPOS program package was used to generate all subnets of 3- to 12-coordinated binodal nets taken from the Reticular Chemistry Structure Resource database. 38 304 binodal nets with novel topologies were revealed and stored in the TTD collection. A new invariant, the adjacency matrix of the shell graph of a node, is proposed to distinguish the node local topology. With this invariant, the first six examples of binodal-quasi-uninodal nets were discovered. 4604 organic and metal-organic frameworks were analyzed to find examples of the topologies generated. It was shown that many edge-transitive nets as well as unknown topologies occur in crystal structures. (c) 2009 International Union of Crystallography Printed in Singapore - all rights reserved

引用

收藏

页码：202 / 212

页数：11

相关论文

共 35 条

[1] Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part II. Analysis of the Inorganic Crystal Structure Database (ICSD) [J].

Baburin, IA ;

Blatov, VA ;

Carlucci, L ;

Ciani, G ;

Proserpio, DM .

JOURNAL OF SOLID STATE CHEMISTRY, 2005, 178 (08) :2452-2474

[2] Hydrogen-bonded frameworks in molecular metal-organic crystals: the network approach [J].

Baburin, Igor A. .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2008, 223 (06) :371-381

[3] Interpenetrated three-dimensional networks of hydrogen-bonded organic species: A systematic analysis of the Cambridge Structural Database [J].

Baburin, Igor A. ;

Blatov, Vladislav A. ;

Carlucci, Lucia ;

Ciani, Gianfranco ;

Proserpio, Davide M. .

CRYSTAL GROWTH & DESIGN, 2008, 8 (02) :519-539

[4] Three-dimensional hydrogen-bonded frameworks in organic crystals: a topological study [J].

Baburin, Igor A. ;

Blatov, Vladislav A. .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2007, 63 (791-802) :791-802

[5] Interpenetrated three-dimensional hydrogen-bonded networks from metal-organic molecular and one- or two-dimensional polymeric motifs [J].

Baburin, Igor A. ;

Blatov, Vladislav A. ;

Carlucci, Lucia ;

Ciani, Gianfranco ;

Proserpio, Davide M. .

CRYSTENGCOMM, 2008, 10 (12) :1822-1838

[6] CYCLE CLASSES AS TOPOLOGICAL INVARIANTS OF CRYSTAL-STRUCTURES [J].

BEUKEMANN, A ;

KLEE, WE .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1994, 209 (09) :709-713

[7] MINIMAL NETS [J].

BEUKEMANN, A ;

KLEE, WE .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1992, 201 (1-2) :37-51

[8] A comparative crystallochemical analysis of binary compounds and simple anhydrous salts containing pyramidal anions LO3 (L = S, Se, Te, Cl, Br, I) [J].

Blatov, VA ;

Peskov, MV .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2006, 62 :457-466

[9] Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part I. Analysis of the Cambridge structural database [J].

Blatov, VA ;

Carlucci, L ;

Ciani, G ;

Proserpio, DM .

CRYSTENGCOMM, 2004, 6 :377-395

[10] Topological relations between three-dimensional periodic nets. I. Uninodal nets [J].

Blatov, Vladislav A. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2007, 63 :329-343

← 1 2 3 4 →