Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7204618 | CIF | C10 H6 N8 | P 1 21/c 1 | 12.968; 5.596; 6.813 90; 92.099; 90 | 494.08 | Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire The role of 1,2,4,5-tetrazine rings in π–π stacking interactions CrystEngComm, 2003, 5, 82 |
| 7204619 | CIF | C18 H22 Ag Cl N0 O4 S2 | P -1 | 10.0506; 10.3341; 11.1873 66.406; 89.958; 71.145 | 996.5 | Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W. Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions CrystEngComm, 2003, 5, 96 |
| 7204620 | CIF | C18 H22 Ag N O3 S2 | P 1 21/c 1 | 12.5416; 9.1826; 17.4612 90; 99.573; 90 | 1982.91 | Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W. Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions CrystEngComm, 2003, 5, 96 |
| 7204621 | CIF | C18 H54 B20 N2 O19 W5 | P -1 | 11.5428; 12.485; 18.4962 97.196; 106.027; 107.916 | 2372.42 | Macías, Ramón; Kennedy, John D.; Thornton-Pett, Mark; Román, Pascual The 'globule‒globule' hybrid dicarbaborane‒polyoxometallate salt, [C2B10H11CH2NHCH(CH3)2]4[W10O32][H2O]2[(CH3)2CO]4 CrystEngComm, 2003, 5, 93 |
| 7204622 | CIF | C29 H32 Cl2 Fe N6 Ni O16.5 | P 1 21/n 1 | 10.1635; 19.999; 20.833 90; 103.159; 90 | 4123.3 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204623 | CIF | C31 H40 Cl2 Fe N6 Ni O17 | C 1 2/c 1 | 10.4651; 18.6142; 20.3093 90; 102.868; 90 | 3856.9 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204624 | CIF | C30 H35 Cl2 Fe N7 Ni O18 | C 1 2/c 1 | 10.4799; 19.5611; 20.0708 90; 103.669; 90 | 3997.9 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204625 | CIF | C27 H17 Cl3 Fe N8 Ni O4 S2 | P 1 21/c 1 | 9.7081; 19.095; 18.094 90; 98.035; 90 | 3321.3 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204626 | CIF | C25 H23.5 Br Cl Fe N6 Ni O10.75 | I -4 | 14.9691; 14.9691; 30.3224 90; 90; 90 | 6794.5 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204627 | CIF | C79 H75 Cl19 Fe5 N18 O37 | P n n m | 32.323; 17.0606; 20.7616 90; 90; 90 | 11449 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204628 | CIF | C48 H43 Cl2 Fe N12 Ni2 O20.5 | P -1 | 8.9267; 12.2683; 13.3292 90.215; 101.813; 97.288 | 1416.63 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204629 | CIF | C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39 | P n n m | 32.999; 17.1473; 20.9802 90; 90; 90 | 11871.5 | Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties CrystEngComm, 2003, 5, 231 |
| 7204631 | CIF | C36 H36 N2 O4 | P b c a | 11.564; 16.393; 16.793 90; 90; 90 | 3183.4 | Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3. CrystEngComm, 2003, 5, 150 |
| 7204632 | CIF | C34 H34 O4 S2 | P b c a | 11.377; 15.982; 16.191 90; 90; 90 | 2944 | Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3. CrystEngComm, 2003, 5, 150 |
| 7204634 | CIF | C96 H98 N4 O62 | P 1 21/n 1 | 14.218; 41.861; 17.664 90; 106.29; 90 | 10091 | Almeida Paz, Filipe A.; Klinowski, Jacek Supramolecular architecture of a novel salt of trimesic acid and 1,2-bis(4-pyridyl)ethane CrystEngComm, 2003, 5, 238 |
| 7204640 | CIF | C18 H15 Cr N12 O4 S | I 41 | 12.8274; 12.8274; 14.2567 90; 90; 90 | 2345.8 | Krister Larsson; Lars Öhrström A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes CrystEngComm, 2003, 5, 222-225 |
| 7204642 | CIF | C15 H13 N5 O3 | C 1 2/c 1 | 26.361; 6.777; 15.553 90; 95.44; 90 | 2766 | Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R. Polymorphism in hydrogen bonded frameworks; cyanuric acid–bis(4-pyridyl)ethene adducts CrystEngComm, 2003, 5, 134 |
| 7204643 | CIF | C15 H13 N5 O3 | C 1 2/c 1 | 19.174; 6.7825; 32.748 90; 91.246; 90 | 4257.8 | Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R. Polymorphism in hydrogen bonded frameworks; cyanuric acid–bis(4-pyridyl)ethene adducts CrystEngComm, 2003, 5, 134 |
| 7204644 | CIF | C190.5 H98.02 N10.66 Zn2 | P -1 | 13.3658; 19.5386; 24.7121 85.67; 84.58; 88.38 | 6404.9 | Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Coppens, Philip; Lyubovskaya, Rimma N. Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]�C60�5.34C7H8�0.66C6H5CNElectronic supplementary information (ESI) available: charaterisation for compound 1. See http://www.rsc.org/suppdata/ce/b3/b303415a/ CrystEngComm, 2003, 5, 137 |
| 7204645 | CIF | C44 H24 Br2 O2 | P -1 | 9.142; 9.6756; 19.9513 79.184; 83.998; 68.436 | 1610.88 | Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L. Novel photochromism of propargylallene in the solid state CrystEngComm, 2003, 5, 147 |
| 7204646 | CIF | C45 H25 Br2 Cl3 O2 | P -1 | 9.5423; 9.8723; 20.2727 83.159; 87.31; 76.521 | 1843.59 | Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L. Novel photochromism of propargylallene in the solid state CrystEngComm, 2003, 5, 147 |
| 7204650 | CIF | C4 H26 Fe N2 O14 P2 | P 1 21/c 1 | 6.317; 9.643; 12.877 90; 92.574; 90 | 783.6 | Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis CrystEngComm, 2003, 5, 180-189 |
| 7204651 | CIF | Fe2 H9 N O11 P2 | P 1 21/n 1 | 9.815; 9.7225; 9.877 90; 102.87; 90 | 918.8 | Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis CrystEngComm, 2003, 5, 180-189 |
| 7204652 | CIF | C4 H13 Fe3 N2 O17.25 P4 | P -1 | 6.3554; 9.166; 15.311 90.27; 91.338; 106.594 | 854.5 | Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysis CrystEngComm, 2003, 5, 180-189 |
| 7204653 | CIF | C15 H12 O3 | P b c 21 | 5.912; 8.043; 25.07 90; 90; 90 | 1192.1 | Kazuhiro Yoshizawa; Shinji Toyota; Fumio Toda; Ingeborg Csöregh Preparative and mechanistic studies of solvent-free Rap–Stoermer reactions Green Chem., 2003, 5, 353-356 |
| 7204659 | CIF | C46 H104 N14 O6 S6 | P -1 | 8.4989; 10.4456; 19.6071 102.094; 95.528; 99.56 | 1662.78 | Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K. Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds CrystEngComm, 2003, 5, 226 |
| 7204660 | CIF | C42 H86.66667 N6 O5.33333 S2 | P -1 | 8.581; 16.348; 27.262 103.653; 92.683; 101.473 | 3624.36 | Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K. Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds CrystEngComm, 2003, 5, 226 |
| 7204661 | CIF | C18 H44 Br N5 S2 | P b c a | 16.788; 17.06; 18.313 90; 90; 90 | 5244.9 | Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K. Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds CrystEngComm, 2003, 5, 226 |
| 7204662 | CIF | C13 H12 N2 O4 | P 1 21/n 1 | 6.0729; 9.4013; 20.6723 90; 95.287; 90 | 1175.23 | Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M. Supramolecular synthons in phenol?isonicotinamide adducts CrystEngComm, 2003, 5, 164 |
| 7204663 | CIF | C18 H18 N4 O4 | P -1 | 7.0307; 10.7052; 11.9562 87.755; 82.735; 73.835 | 857.36 | Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M. Supramolecular synthons in phenol?isonicotinamide adducts CrystEngComm, 2003, 5, 164 |
| 7204664 | CIF | C18 H22 N4 O7 | P -1 | 7.4967; 8.8748; 15.2793 95.1886; 97.479; 105.77 | 961.5 | Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M. Supramolecular synthons in phenol?isonicotinamide adducts CrystEngComm, 2003, 5, 164 |
| 7204665 | CIF | C9 H9 N2 O2 | P 1 21/c 1 | 14.2811; 5.4136; 11.911 90; 111.934; 90 | 854.21 | Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M. Supramolecular synthons in phenol?isonicotinamide adducts CrystEngComm, 2003, 5, 164 |
| 7204666 | CIF | C26 H28 Fe N4 O4 S | C 1 2/c 1 | 21.731; 10.588; 11.685 90; 110.5; 90 | 2518.3 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis CrystEngComm, 2003, 5, 190 |
| 7204667 | CIF | C12 H8 Cd N2 O4 S | P -4 21 m | 6.8307; 6.8307; 14.404 90; 90; 90 | 672.07 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis CrystEngComm, 2003, 5, 190 |
| 7204668 | CIF | C12 H18 Cu N2 O7 S | P -1 | 9.399; 9.496; 10.073 62.11; 89.18; 73 | 751.9 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis CrystEngComm, 2003, 5, 190 |
| 7204669 | CIF | C38 H44 Co2 N6 O10 S2 | C 1 2/c 1 | 23.35; 19.882; 13.644 90; 106.29; 90 | 6080 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis CrystEngComm, 2003, 5, 190 |
| 7204670 | CIF | C120 H152 N20 Ni6 O40 S6 | P 1 21/c 1 | 21.485; 27.235; 26.925 90; 90.24; 90 | 15755 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis CrystEngComm, 2003, 5, 190 |
| 7204671 | CIF | C8 H17 F N2 O | P 21 21 21 | 8.4317; 10.439; 11.313 90; 90; 90 | 995.8 | Swatloski, Richard P.; Holbrey, John D.; Rogers, Robin D. Ionic liquids are not always green: hydrolysis of 1-butyl-3-methylimidazolium hexafluorophosphate Green Chemistry, 2003, 5, 361 |
| 7204675 | CIF | C14 H18 Fe O2 | P 1 21/c 1 | 15.2583; 9.7626; 8.294 90; 97.46; 90 | 1225.02 | Michael Schmittel; Mukul Lal; Marc Schlosser; Hans-Jörg Deiseroth Unusual ladder-like supramolecular arrangement by cooperative effect of bifurcated O‒HO hydrogen bonding in crystals of racemic 4-ferrocenylbutan-1,2-diol CrystEngComm, 2003, 5, 294-299 |
| 7204676 | CIF | C46.5 H36 Cl3.5 N5 O3 | P -1 | 8.06; 15.039; 16.817 83.761; 77.324; 88.522 | 1976.99 | Vinodu, Mikki; Goldberg, Israel New assembly modes of porphyrin-based networks CrystEngComm, 2003, 5, 204 |
| 7204677 | CIF | C5 H8 Li N O4 | P 1 | 5.2961; 7.8521; 7.9506 90.03; 106.037; 95.972 | 315.89 | Wiesbrock, Frank; Schmidbaur, Hubert Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles CrystEngComm, 2003, 5, 262 |
| 7204678 | CIF | C8 H7 N | P n m a | 10.423; 7.033; 8.951 90; 90; 90 | 656.2 | Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R. Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines CrystEngComm, 2003, 5, 248 |
| 7204679 | CIF | C6 H5 Br N | P n m a | 8.594; 7.6166; 9.469 90; 90; 90 | 619.8 | Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R. Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines CrystEngComm, 2003, 5, 248 |
| 7204680 | CIF | C6 H6 I N | P 1 21 1 | 8.422; 4.965; 8.645 90; 109.79; 90 | 340.1 | Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R. Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines CrystEngComm, 2003, 5, 248 |
| 7204682 | CIF | C5 H6 Co N O5 | P 1 21/n 1 | 6.961; 14.442; 7.434 90; 92.02; 90 | 746.9 | Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine CrystEngComm, 2003, 5, 280-284 |
| 7204683 | CIF | C5 H6 N O5 Zn | P 1 21/n 1 | 6.9461; 14.269; 7.432 90; 92.232; 90 | 736.1 | Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine CrystEngComm, 2003, 5, 280-284 |
| 7204684 | CIF | C5 H6 Co N O5 | C 1 2 1 | 16.802; 6.8884; 7.4787 90; 115.119; 90 | 783.72 | Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine CrystEngComm, 2003, 5, 280-284 |
| 7204685 | CIF | C5 H6 N O5 Zn | C 1 2 1 | 16.546; 6.929; 7.4783 90; 113.472; 90 | 786.42 | Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine CrystEngComm, 2003, 5, 280-284 |
| 7204686 | CIF | C7 H11 Hg N S2 | P 1 21/n 1 | 7.481; 12.2434; 10.8863 90; 108.526; 90 | 945.44 | Sing Lai, Chian; Tiekink, Edward R. T. Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates CrystEngComm, 2003, 5, 253 |
| 7204687 | CIF | C7 H11 Hg N S2 | P 1 21/c 1 | 12.3186; 12.7707; 12.3438 90; 91.394; 90 | 1941.3 | Sing Lai, Chian; Tiekink, Edward R. T. Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates CrystEngComm, 2003, 5, 253 |
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