Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is © The Royal Society of Chemistry 2016 Search Overview Search: search1 Date/Time done: Fri Aug 28 19:32:38 2015 Database(s): CSD version 5.36 updates (Nov 2014) CSD version 5.36 (November 2014) CSD version 5.36 (November 2014) CSD version 5.36 updates (Feb 2015) CSD version 5.36 updates (May 2015) Restriction Info: No refcode restrictions applied Filters: None Percentage Completed: 100% Number of Hits: 606 Single query used. Search found structures that: match Query 1 N N Query 1 N N Page 1 Search: search1 (Fri Aug 28 19:32:38 2015): Hits 1-4 BISCUD BISCUD01 Reference: Zi-Jian Li, Jia Yao, Qian Tao, Long Jiang, Tong-Bu Lu Reference: Zi-Jian Li, Jia Yao, Qian Tao, Long Jiang, Tong-Bu Lu (2013) Inorg.Chem. ,52,11694 (2013) Inorg.Chem. ,52,11694 Formula: (C H Cd N O S )n,n(C H O ),2n(C H Cl ),n(H O ) Formula: (C H Cd N O S )n,n(C H O ),2n(C H Cl ),n(H O ) 96 116 2 16 16 4 2 6 1 1 2 2 2 1 96 116 2 16 16 4 2 6 1 1 2 2 2 1 Compound Name: catena-[tetrakis((7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl) Compound Name: catena-[tetrakis((7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl) methanesulfonato)-tetrakis(µ-1,1'-(1,4-phenylenebis(methylene))bis(1H- methanesulfonato)-tetrakis(µ-1,1'-(1,4-phenylenebis(methylene))bis(1H- imidazole))-di-cadmium(ii) ethanol dichloromethane solvate imidazole))-di-cadmium(ii) ethanol dichloromethane solvate monohydrate] monohydrate] Space Group: P1 Cell: a 10.357(0) b 14.235(0) c 19.028(0) Space Group: P1 Cell: a 10.348(0) b 14.229(0) c 19.029(0) Space Group No.: 1 (Å,°) α 93.00(0) β 98.97(0) γ 107.74(0) Space Group No.: 1 (Å,°) α 93.07(0) β 98.92(0) γ 107.71(0) R-Factor (%): 5.31 Temperature(K): 150 Density(g/cm3): 1.479 R-Factor (%): 4.77 Temperature(K): 150 Density(g/cm3): 1.480 Cd Cd N N N N Et OH Et OH H3C CH3 H3C CH CH3 N O CH3 N O 3 CH CH O O 3 O O 3 N S N S S O O Cl CH2Cl S O Cl CH2Cl N N O N N O O O O O O N N N N N N Cd Cd Cd N CdN Cd N N O O N Cd N N O O N N N S O N N S O O O O O O O N S N S N CH3 O N CH3 O O CH3 O CH3 N N CH3 H2O CH3 H2O N CH3 N CH3 Cd Cd BISDAK BISDAK01 Reference: Zi-Jian Li, Jia Yao, Qian Tao, Long Jiang, Tong-Bu Lu Reference: Zi-Jian Li, Jia Yao, Qian Tao, Long Jiang, Tong-Bu Lu (2013) Inorg.Chem. ,52,11694 (2013) Inorg.Chem. ,52,11694 Formula: (C H Cd N O S )n,4n(C H O ) Formula: (C H Cd N O S )n,4n(C H O ) 96 116 2 16 16 4 8 10 1 96 116 2 16 16 4 8 10 1 Compound Name: catena-[tetrakis(µ-1,1'-(1,4-phenylenebis(methylene))bis(1H-imidazole))- Compound Name: catena-[tetrakis(µ-1,1'-(1,4-phenylenebis(methylene))bis(1H-imidazole))- tetrakis((7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonato)-di- tetrakis((7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonato)-di- cadmium(ii) 1-phenylethanol solvate] cadmium(ii) 1-phenylethanol solvate] Space Group: P1 Cell: a 10.688(0) b 18.327(0) c 18.437(0) Space Group: P1 Cell: a 10.704(0) b 18.323(0) c 18.424(0) Space Group No.: 1 (Å,°) α 63.64(0) β 88.78(0) γ 83.37(0) Space Group No.: 1 (Å,°) α 63.58(0) β 88.82(0) γ 83.35(0) R-Factor (%): 7.71 Temperature(K): 150 Density(g/cm3): 1.340 R-Factor (%): 8.23 Temperature(K): 150 Density(g/cm3): 1.340 Cd Cd Ph CH3 Ph CH3 N H3C N H3C N N H3C OH H3C OH O O O S Cd O S Cd O N N O N N O O N N N N N O N N N O Cd Cd N N O N N O CH O N S 3 N CH3 O O H3C O O O S H3C N N S N N S Cd O N O Cd N O N O N O O CH3 N Cd N CH N Cd N N 3 N N N CH3 O CH3 O CH3 O CH3 H3C S H3C S O O O O O Page 2 Search: search1 (Fri Aug 28 19:32:38 2015): Hits 5-8 BOSBOC DIQVUW Reference: B.K.Tripuramallu, P.Manna, S.K.Das (2014) Reference: Zhongping Cui, Ji Qi, Xinxin Xu (2013) CrystEngComm , Inorg.Chem.Commun. ,35,260 Formula: C H Cu N O 4+,Mo O 4-,4(H O ) Formula: (C H Cd N O )n,4n(H O ) 48 44 2 12 2 8 26 2 1 66 54 2 16 12 2 1 Compound Name: bis(µ -2,2'-(1,4-Phenylenebis(methylene-1H-imidazole-1,2-diyl)) Compound Name: catena-(bis(µ -2,2'-Bipyridine-3,3'-dicarboxylate 1,1'-dioxide)-tris(µ -1,4- dipyri2dine)-diaqua-di-copper(ii) bis(µ -oxo)-tetrakis(µ -oxo)-hexakis(µ - bis(imidazol-12-ylmethyl)benzene)-di-cadmium tetrahydrate) 2 oxo)-tetradeca-oxo-octa-molybdenum5 tetrahydrate 3 2 Space Group: C2/c Cell: a 25.471(2) b 15.388(1) c 17.151(1) Space Group: P21/c Cell: a 13.625(1) b 14.739(1) c 16.492(1) Space Group No.: 15 (Å,°) α 90.00 β 98.83(0) γ 90.00 Space Group No.: 14 (Å,°) α 90.00 β 95.70(0) γ 90.00 R-Factor (%): 5.13 Temperature(K): 293 Density(g/cm3): 1.560 3 R-Factor (%): 6.63 Temperature(K): 100 Density(g/cm ): 2.221 N H2O O O N + N - - - N O O Mo O O N N O N O O O Cd O O O O Cd 2+ N Cd O Cu N N O - O O Mo O Mo O O O + N N N N O Mo O N Cd N N N O O - O + N Mo O + N N N - N O Mo O Mo O O O O O O O N - - O Mo O N O Cd O O 2+ N Cu N Cd N N N H2O H2O H2O DOJNAT DOJNEX Reference: Feng Tian, Hong-Dan Wang, Ming-Yang He, Qun Chen, Reference: Feng Tian, Hong-Dan Wang, Ming-Yang He, Qun Chen, Sheng-Chun Chen (2014) Z.Naturforsch.,B:Chem.Sci. ,69,878 Sheng-Chun Chen (2014) Z.Naturforsch.,B:Chem.Sci. ,69,878 Formula: (C H F N O Zn )n Formula: (C H F N O Zn 2+)n,2n(N O 1-),3n(H O ) 18 16 4 4 4 1 42 30 12 14 6 2 1 3 2 1 Compound Name: catena-((µ -1,1'-((2,3,5,6-Tetrafluoro-1,4-phenylene)bis(methylene)) Compound Name: catena-(tris(µ -1,1'-((2,3,5,6-Tetrafluoro-1,4-phenylene)bis(methylene)) bis(1H-imid2azole))-bis(acetato-O)-zinc) bis(1H-imidaz2ole))-bis(nitrato-O)-di-zinc dinitrate trihydrate) Space Group: C2/c Cell: a 12.282(3) b 12.031(3) c 13.449(3) Space Group: P-1 Cell: a 9.887(0) b 11.246(1) c 13.870(1) Space Group No.: 15 (Å,°) α 90.00 β 99.76(0) γ 90.00 Space Group No.: 2 (Å,°) α 109.39(0) β 94.63(0) γ 105.81(0) R-Factor (%): 4.23 Temperature(K): 293 Density(g/cm3): 1.674 R-Factor (%): 4.89 Temperature(K): 296 Density(g/cm3): 1.647 Zn N N F F F F F N Zn F N N O N NO2 + Zn N N N N F F Me(CO)O N F N N F F Zn F N O N 2 + N Zn N O F F N F O(CO)Me F N N Zn - O NO2 H2O Page 3 Search: search1 (Fri Aug 28 19:32:38 2015): Hits 9-12 FODBOR FOFPOH Reference: Li-Hui Cao, Yong-Li Wei, Yang Yang, Hong Xu, Reference: Lei Wang, Wenqiang Wang, Dong Guo, Ao Zhang, Shuang-Quan Zang, Hong-Wei Hou, T.C.W.Mak (2014) Yaoguang Song, Yiheng Zhang, Keke Huang (2014) CrystEngComm , Cryst.Growth Des. ,14,1827 16,5437 2+ 4- Formula: (C H Cd N O )n,2n(H O ) Formula: 2(C H N ),C Cl Fe O 52 46 3 8 14 2 1 14 16 4 6 4 2 12 µ µ Compound Name: bis(1,1'-(1,4-Phenylenebis(methylene))bis-1H-imidazol-3-ium) (µ - Compound Name: catena-(bis( -5-((1-Carboxylatoethoxy)methyl)isophthalato)-bis( -1, 2 1'-(1,4-pheny5lenebis(methylene))bis(1H-imidazole))-tri-cadmium 2 oxalato)-tetrachloro-bis(oxalato)-di-iron dihydrate) Space Group: P-1 Cell: a 10.676(0) b 10.746(0) c 10.877(0) Space Group: C2 Cell: a 14.625(0) b 12.951(0) c 14.815(0) Space Group No.: 2 (Å,°) α 113.22(0) β 109.14(0) γ 99.29(0) Space Group No.: 5 (Å,°) α 90.00 β 108.62(0) γ 90.00 R-Factor (%): 4.98 Temperature(K): 293 Density(g/cm3): 1.624 3 R-Factor (%): 4.07 Temperature(K): 293 Density(g/cm ): 1.724 Cd N N - Cl + - Cd NH O O Cl Cd N O N Fe O N N N H3C O O O O O N O Cd O O O O O O Cd O O O O O N N O O O N Fe O N Cd Cd Cd - O O Cl O O H C + 3 O - NH Cl O O O O Cd Cd Cd H2O FOKWEJ GISTOT Reference: Xiao Wang, Quan-Guo Zhai, Xiang-Yang Hou, Shu-Ni Li, Reference: Liming Fan, Xiutang Zhang, Wei Zhang, Yuanshuai Ding, Yu-Cheng Jiang, Man-Cheng Hu (2014) Inorg.Chem.Commun.