Crystallography Open Database
Search results
Result : There are 84 entries in the selection
You can download the COD numbers of the selection as a text file
You can download all files as a single ZIP archive
Searching journal of publication like 'CrystEngComm' volume of publication is 6
| COD ID: 7204766 | |
| CIF file | Formula: - C16 H28 O4 - Comments: Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L. Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif CrystEngComm 6(3) (2004) 5 Space group: P 1 21/c 1 Cell volume: 1616.5 Cell parameters: 7.198; 12.957; 18.653; 90; 111.69; 90; |
| COD ID: 7204767 | |
| CIF file | Formula: - C20 H28 O4 - Comments: Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L. Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif CrystEngComm 6(3) (2004) 5 Space group: C 1 2/c 1 Cell volume: 3644 Cell parameters: 10.596; 9.766; 35.351; 90; 94.96; 90; |
| COD ID: 7204768 | |
| CIF file | Formula: - C16 H30 O3 - Comments: Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L. Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif CrystEngComm 6(3) (2004) 5 Space group: P 1 21/c 1 Cell volume: 1683.5 Cell parameters: 6.89; 13.261; 18.879; 90; 102.58; 90; |
| COD ID: 7204777 | |
| CIF file | Formula: - C35 H26 F2 O3 - Comments: Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R. Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals CrystEngComm 6(2) (2004) 1 Space group: P -1 Cell volume: 1329.29 Cell parameters: 8.7846; 12.3272; 13.4594; 70.08; 76.153; 83.096; |
| COD ID: 7204778 | |
| CIF file | Formula: - C31 H20 Cl2 F2 O2 - Comments: Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R. Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals CrystEngComm 6(2) (2004) 1 Space group: P 1 21/n 1 Cell volume: 2509.47 Cell parameters: 9.0486; 19.3364; 14.4056; 90; 95.365; 90; |
| COD ID: 7204779 | |
| CIF file | Formula: - C30 H18 F2 O2 - Comments: Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R. Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals CrystEngComm 6(2) (2004) 1 Space group: P -1 Cell volume: 3266.4 Cell parameters: 12.8638; 15.8214; 16.1334; 88.14; 88.037; 84.747; |
| COD ID: 7204786 | |
| CIF file | Formula: - C42 H33 Ag3 Cr3 N9 O27 - Comments: Consuelo Yuste Vivas; Fernando S. Delgado; Catalina Ruiz-Pérez; Miguel Julve Preparation and crystal structure of the oxalato-bridged CrIII‒AgI two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa = 2,2'-dipyridylamine) CrystEngComm 6(4) (2004) 11-18 Space group: P -1 Cell volume: 2521.6 Cell parameters: 9.486; 11.381; 23.904; 94.779; 101.094; 91.342; |
| COD ID: 7204790 | |
| CIF file | Formula: - C32 H16 Bi F15 N2 O S3 - Comments: Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J. Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands CrystEngComm 6(7) (2004) 29 Space group: P 1 21/n 1 Cell volume: 3343.6 Cell parameters: 9.4389; 18.206; 19.514; 90; 94.385; 90; |
| COD ID: 7204791 | |
| CIF file | Formula: - C33 H19 Bi F15 N3 O S3 - Comments: Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J. Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands CrystEngComm 6(7) (2004) 29 Space group: P 1 21/n 1 Cell volume: 3658.9 Cell parameters: 8.968; 16.616; 24.746; 90; 97.14; 90; |
| COD ID: 7204792 | |
| CIF file | Formula: - C38 H26 Bi F15 N2 O2 S3 - Comments: Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J. Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands CrystEngComm 6(7) (2004) 29 Space group: P -1 Cell volume: 2010 Cell parameters: 9.0368; 13.0086; 18.53; 76.225; 82.026; 72.273; |
| COD ID: 7204793 | |
| CIF file | Formula: - C36 H12 Bi F15 N6 S3 - Comments: Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J. Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands CrystEngComm 6(7) (2004) 29 Space group: P -1 Cell volume: 1770.8 Cell parameters: 7.5887; 14.181; 17.931; 73.275; 78.66; 75.19; |
| COD ID: 7204794 | |
| CIF file | Formula: - C36 H12 Bi F15 N6 S3 - Comments: Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J. Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands CrystEngComm 6(7) (2004) 29 Space group: P -1 Cell volume: 1767 Cell parameters: 9.034; 11.372; 17.894; 75.17; 84.39; 86.23; |
| COD ID: 7204795 | |
| CIF file | Formula: - C22 H19 N5 O8 - Comments: Christer B. Aakeröy; John Desper; Brian A. Helfrich Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals CrystEngComm 6(5) (2004) 19-24 Space group: P -1 Cell volume: 1063.66 Cell parameters: 7.0051; 8.6187; 18.5866; 101.186; 97.114; 101.401; |
| COD ID: 7204796 | |
| CIF file | Formula: - C13 H11 N3 O5 - Comments: Christer B. Aakeröy; John Desper; Brian A. Helfrich Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals CrystEngComm 6(5) (2004) 19-24 Space group: P -1 Cell volume: 629.54 Cell parameters: 5.9827; 9.1713; 12.1893; 84.149; 77.407; 74.927; |
| COD ID: 7204797 | |
| CIF file | Formula: - C13 H11 F N2 O3 - Comments: Christer B. Aakeröy; John Desper; Brian A. Helfrich Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals CrystEngComm 6(5) (2004) 19-24 Space group: C 1 2/c 1 Cell volume: 2460 Cell parameters: 22.725; 5.231; 20.785; 90; 95.402; 90; |
| COD ID: 7204798 | |
| CIF file | Formula: - C16 H16 N4 O7 - Comments: Christer B. Aakeröy; John Desper; Brian A. Helfrich Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals CrystEngComm 6(5) (2004) 19-24 Space group: P -1 Cell volume: 831.5 Cell parameters: 8.0266; 8.5974; 12.514; 84.563; 89.934; 75.345; |
| COD ID: 7204799 | |
| CIF file | Formula: - C16 H16 N2 O6 - Comments: Christer B. Aakeröy; John Desper; Brian A. Helfrich Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals CrystEngComm 6(5) (2004) 19-24 Space group: P -1 Cell volume: 761 Cell parameters: 7.1538; 7.9978; 14.315; 91.111; 91.483; 111.582; |
| COD ID: 7204800 | |
| CIF file | Formula: - C12 H11 N5 O4 - Comments: Christer B. Aakeröy; John Desper; Brian A. Helfrich Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals CrystEngComm 6(5) (2004) 19-24 Space group: P -1 Cell volume: 1255.1 Cell parameters: 7.6155; 7.698; 21.587; 95.59; 94.719; 90.268; |
| COD ID: 7204809 | |
| CIF file | Formula: - C38 H29 N O2 - Comments: Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin pH control of guest selectivity by inclusion CrystEngComm 6(12) (2004) 54 Space group: P 1 21/n 1 Cell volume: 2844 Cell parameters: 10.375; 12.404; 22.1; 90; 90.46; 90; |
| COD ID: 7204810 | |
| CIF file | Formula: - C53 H49 N3 O2 - Comments: Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin pH control of guest selectivity by inclusion CrystEngComm 6(12) (2004) 54 Space group: I -4 Cell volume: 8483 Cell parameters: 22.524; 22.524; 16.721; 90; 90; 90; |
| COD ID: 7204815 | |
| CIF file | Formula: - C38.5 H33.11 O4.06 - Comments: Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests CrystEngComm 6(14) (2004) 60-69 Space group: R -3 :H Cell volume: 13475 Cell parameters: 35.283; 35.283; 12.499; 90; 90; 120; |
| COD ID: 7204816 | |
| CIF file | Formula: - C39 H33.39 O3.72 - Comments: Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests CrystEngComm 6(14) (2004) 60-69 Space group: R -3 :H Cell volume: 13443 Cell parameters: 35.329; 35.329; 12.437; 90; 90; 120; |
| COD ID: 7204817 | |
| CIF file | Formula: - C39.33 H34 O3.56 - Comments: Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests CrystEngComm 6(14) (2004) 60-69 Space group: R -3 :H Cell volume: 13598 Cell parameters: 35.346; 35.346; 12.568; 90; 90; 120; |
| COD ID: 7204818 | |
| CIF file | Formula: - C39.22 H34.5 O3.61 - Comments: Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests CrystEngComm 6(14) (2004) 60-69 Space group: R -3 :H Cell volume: 13457.1 Cell parameters: 35.248; 35.248; 12.507; 90; 90; 120; |
| COD ID: 7204819 | |
| CIF file | Formula: - C39.39 H33.78 O3.22 - Comments: Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests CrystEngComm 6(14) (2004) 60-69 Space group: R -3 :H Cell volume: 13496.4 Cell parameters: 35.267; 35.267; 12.53; 90; 90; 120; |
| COD ID: 7204820 | |
| CIF file | Formula: - C22 H10 F8 - Comments: Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1. CrystEngComm 6(6) (2004) 25 Space group: P 1 21/n 1 Cell volume: 847.27 Cell parameters: 7.3564; 6.2253; 18.6804; 90; 97.946; 90; |
| COD ID: 7204821 | |
| CIF file | Formula: - C22 H8 F8 - Comments: Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1. CrystEngComm 6(6) (2004) 25 Space group: P -1 Cell volume: 410.17 Cell parameters: 6.446; 7.142; 9.751; 74.46; 71.53; 85.97; |
| COD ID: 7204822 | |
| CIF file | Formula: - C52 H54 Cu F12 N4 O P2 S4 - Comments: Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J. Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2 CrystEngComm 6(13) (2004) 56 Space group: P 1 2/c 1 Cell volume: 2789.8 Cell parameters: 15.37; 8.7969; 20.914; 90; 99.398; 90; |
| COD ID: 7204823 | |
| CIF file | Formula: - C48 H44 Cu F12 N4 P2 S4 - Comments: Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J. Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2 CrystEngComm 6(13) (2004) 56 Space group: P -1 Cell volume: 1245.66 Cell parameters: 8.8849; 10.8557; 13.312; 91.398; 103.569; 92.897; |
| COD ID: 7204824 | |
| CIF file | Formula: - C48 H44 Cu F12 N4 P2 S4 - Comments: Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J. Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2 CrystEngComm 6(13) (2004) 56 Space group: P 1 21/n 1 Cell volume: 5043 Cell parameters: 14.3809; 19.8714; 18.1471; 90; 103.481; 90; |
| COD ID: 7204825 | |
| CIF file | Formula: - C18 H18 Cl2 N2 S2 - Comments: Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J. The preparation and crystal structures of derivatised sulfimidium salts CrystEngComm 6(8) (2004) 34 Space group: P b c a Cell volume: 3650.4 Cell parameters: 9.1712; 18.3898; 21.6441; 90; 90; 90; |
| COD ID: 7204826 | |
| CIF file | Formula: - C12 H12 Cl N O S - Comments: Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J. The preparation and crystal structures of derivatised sulfimidium salts CrystEngComm 6(8) (2004) 34 Space group: P b c a Cell volume: 2440.22 Cell parameters: 9.0907; 9.8349; 27.2937; 90; 90; 90; |
| COD ID: 7204827 | |
| CIF file | Formula: - C12 H12 Cl N O S - Comments: Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J. The preparation and crystal structures of derivatised sulfimidium salts CrystEngComm 6(8) (2004) 34 Space group: P 1 21/c 1 Cell volume: 1194.6 Cell parameters: 13.5552; 5.6845; 15.508; 90; 91.335; 90; |
| COD ID: 7204831 | |
| CIF file | Formula: - C32 H24 N2 O8.98 Rh2 - Comments: Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo Structural determination of a 1-D metal?organic framework with adsorbed oxygen molecules at 10 K: possibility of surface motion transfer of confined guest CrystEngComm 6(9) (2004) 39 Space group: C 1 2/c 1 Cell volume: 3246.8 Cell parameters: 17.485; 9.5925; 19.611; 90; 99.219; 90; |
| COD ID: 7204832 | |
| CIF file | Formula: - C36 H42 Cu N4 O13 P2 - Comments: Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan Supramolecular bidentate amine derivatives of copper(ii) organophosphonates CrystEngComm 6(10) (2004) 42 Space group: P -1 Cell volume: 2003.3 Cell parameters: 10.891; 13.357; 14.642; 84.15; 74.79; 77.36; |
| COD ID: 7204833 | |
| CIF file | Formula: - C38 H34 Cu N4 O11.5 P2 - Comments: Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan Supramolecular bidentate amine derivatives of copper(ii) organophosphonates CrystEngComm 6(10) (2004) 42 Space group: C 1 2/c 1 Cell volume: 7961 Cell parameters: 33.209; 10.097; 27.247; 90; 119.38; 90; |
| COD ID: 7204844 | |
| CIF file | Formula: - C14 H20 Cl4 Co N2 - Comments: Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates CrystEngComm 6(19) (2004) 87-95 Space group: P 1 21 1 Cell volume: 908.76 Cell parameters: 7.381; 14.5798; 8.6905; 90; 103.661; 90; |
| COD ID: 7204845 | |
| CIF file | Formula: - C10 H12 Cl4 Co N2 - Comments: Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates CrystEngComm 6(19) (2004) 87-95 Space group: P -1 Cell volume: 737.02 Cell parameters: 7.5802; 7.9849; 12.4508; 89.026; 83.51; 79.833; |
| COD ID: 7204846 | |
| CIF file | Formula: - C165 H180 N10 Ni2 O18 - Comments: Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto A 24 � 24 � square ladder CrystEngComm 6(11) (2004) 51 Space group: P 1 Cell volume: 3595.8 Cell parameters: 14.62; 16.079; 16.193; 78.201; 80.798; 76.345; |
| COD ID: 7204847 | |
| CIF file | Formula: - C70 H80 N5 Ni O10 - Comments: Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto A 24 � 24 � square ladder CrystEngComm 6(11) (2004) 51 Space group: P -1 Cell volume: 3159.6 Cell parameters: 14.332; 15.179; 16.165; 79.406; 69.285; 74.921; |
| COD ID: 7204848 | |
| CIF file | Formula: - C13 H26 B2 Cu F8 N10 O5 - Comments: Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures CrystEngComm 6(15) (2004) 70 Space group: P -1 Cell volume: 1228.74 Cell parameters: 10.7999; 11.3654; 11.8496; 116.093; 92.31; 106.55; |
| COD ID: 7204849 | |
| CIF file | Formula: - C16 H28 B2 Cu F8 N14 O4 - Comments: Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures CrystEngComm 6(15) (2004) 70 Space group: P -1 Cell volume: 1402.4 Cell parameters: 7.182; 12.055; 16.888; 95.19; 99.573; 101.294; |
| COD ID: 7204850 | |
| CIF file | Formula: - C14 H8 Cl2 - Comments: Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene CrystEngComm 6(18) (2004) 83 Space group: P -1 Cell volume: 533.4 Cell parameters: 3.9004; 8.7632; 16.508; 105.33; 90.09; 100.97; |
| COD ID: 7204851 | |
| CIF file | Formula: - C14 H8 Br0.5 Cl1.5 - Comments: Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene CrystEngComm 6(18) (2004) 83 Space group: P -1 Cell volume: 528.5 Cell parameters: 3.8629; 8.743; 16.515; 105.203; 90.179; 100.495; |
| COD ID: 7204852 | |
| CIF file | Formula: - C27 H15 Cl3 O3 - Comments: Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P. Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene CrystEngComm 6(21) (2004) 102 Space group: P c a 21 Cell volume: 4523.6 Cell parameters: 10.4381; 9.0183; 48.0553; 90; 90; 90; |
| COD ID: 7204853 | |
| CIF file | Formula: - C27 H15 Cl3 O3 - Comments: Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P. Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene CrystEngComm 6(21) (2004) 102 Space group: P -1 Cell volume: 1122.99 Cell parameters: 8.6385; 11.1276; 12.4701; 95.955; 97.735; 106.98; |
| COD ID: 7204855 | |
| CIF file | Formula: - C18 H16 Ag N3 O4 - Comments: Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard Novel dienone-based ligands for the synthesis of coordination polymers CrystEngComm 6(23) (2004) 112-115 Space group: P -1 Cell volume: 828.87 Cell parameters: 7.5132; 8.3575; 13.9439; 106.836; 95.865; 94.138; |
| COD ID: 7204856 | |
| CIF file | Formula: - C18 H16 N2 O - Comments: Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard Novel dienone-based ligands for the synthesis of coordination polymers CrystEngComm 6(23) (2004) 112-115 Space group: P -1 Cell volume: 698.01 Cell parameters: 9.0541; 9.3447; 9.7248; 81.711; 70.102; 64.45; |
| COD ID: 7204860 | |
| CIF file | Formula: - C14 H22 Cu N4 O8 S - Comments: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene] CrystEngComm 6(20) (2004) 96 Space group: P -1 Cell volume: 936.7 Cell parameters: 7.96; 10.122; 12.782; 67.234; 84.407; 80.782; |
| COD ID: 7204861 | |
| CIF file | Formula: - C28 H43 Cu N8 O11.5 S - Comments: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene] CrystEngComm 6(20) (2004) 96 Space group: C 1 2/c 1 Cell volume: 7027 Cell parameters: 23.548; 18.524; 16.469; 90; 102.008; 90; |
| COD ID: 7204864 | |
| CIF file | Formula: - C Cl N2 S2 - Comments: Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M. Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN CrystEngComm 6(17) (2004) 79 Space group: P -1 Cell volume: 885.74 Cell parameters: 8.3393; 9.4759; 11.9105; 102.8; 90.1883; 104.761; |
| COD ID: 7204865 | |
| CIF file | Formula: - C21 H27 Cl N2 O - Comments: Cole, Marcus L.; Junk, Peter C. Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) CrystEngComm 6(30) (2004) 173 Space group: P 1 21/c 1 Cell volume: 1976.3 Cell parameters: 8.3198; 15.4; 15.635; 90; 99.4; 90; |
| COD ID: 7204866 | |
| CIF file | Formula: - C24 H31 Cl N2 O - Comments: Cole, Marcus L.; Junk, Peter C. Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) CrystEngComm 6(30) (2004) 173 Space group: P -1 Cell volume: 1142.1 Cell parameters: 8.3676; 11.315; 13.246; 70.27; 80.1; 76.55; |
| COD ID: 7204867 | |
| CIF file | Formula: - C12 H18 O4 Si - Comments: Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid CrystEngComm 6(24) (2004) 116 Space group: P n a 21 Cell volume: 1417.47 Cell parameters: 22.5962; 8.1506; 7.6964; 90; 90; 90; |
| COD ID: 7204868 | |
| CIF file | Formula: - C3 H6 Co O6 - Comments: Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds CrystEngComm 6(22) (2004) 106-111 Space group: C 1 2/m 1 Cell volume: 590.6 Cell parameters: 12.646; 7.404; 7.297; 90; 120.18; 90; |
| COD ID: 7204869 | |
| CIF file | Formula: - C3 H6 Ni O6 - Comments: Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds CrystEngComm 6(22) (2004) 106-111 Space group: C 1 2/m 1 Cell volume: 578.41 Cell parameters: 12.5748; 7.3781; 7.2274; 90; 120.391; 90; |
| COD ID: 7204871 | |
| CIF file | Formula: - C25 H18 N2 O4 - Comments: Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R. Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/ CrystEngComm 6(25) (2004) 120 Space group: P 1 21/n 1 Cell volume: 1967.5 Cell parameters: 7.552; 16.296; 16.174; 90; 98.71; 90; |
| COD ID: 7204872 | |
| CIF file | Formula: - C75 H58 N6 O14 - Comments: Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R. Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/ CrystEngComm 6(25) (2004) 120 Space group: R -3 :H Cell volume: 9559 Cell parameters: 20.909; 20.909; 25.247; 90; 90; 120; |
| COD ID: 7204873 | |
| CIF file | Formula: - C78 H54 N6 O16 - Comments: Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R. Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/ CrystEngComm 6(25) (2004) 120 Space group: R -3 :H Cell volume: 9518 Cell parameters: 20.916; 20.916; 25.122; 90; 90; 120; |
| COD ID: 7204874 | |
| CIF file | Formula: - C29 H16 N4 - Comments: Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R. Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/ CrystEngComm 6(25) (2004) 120 Space group: P 1 21/n 1 Cell volume: 2334 Cell parameters: 9.782; 11.907; 20.242; 90; 98.13; 90; |
| COD ID: 7204875 | |
| CIF file | Formula: - C29 H16 N4 - Comments: Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R. Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/ CrystEngComm 6(25) (2004) 120 Space group: P b c a Cell volume: 5021.6 Cell parameters: 15.413; 17.607; 18.504; 90; 90; 90; |
| COD ID: 7204876 | |
| CIF file | Formula: - C42 H42 Fe N14 O8 - Comments: Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit CrystEngComm 6(26) (2004) 126 Space group: P 3 1 c Cell volume: 6168.8 Cell parameters: 19.3682; 19.3682; 18.9884; 90; 90; 120; |
| COD ID: 7204877 | |
| CIF file | Formula: - C9 H8 O - Comments: Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm 6(32) (2004) 184 Space group: P b c a Cell volume: 1464.4 Cell parameters: 14.027; 6.124; 17.047; 90; 90; 90; |
| COD ID: 7204878 | |
| CIF file | Formula: - C10 H8 O2 - Comments: Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm 6(32) (2004) 184 Space group: P b c a Cell volume: 1651.3 Cell parameters: 13.962; 6.052; 19.542; 90; 90; 90; |
| COD ID: 7204879 | |
| CIF file | Formula: - C9 H6 O - Comments: Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm 6(32) (2004) 184 Space group: P 21 21 21 Cell volume: 679.15 Cell parameters: 7.0501; 8.9204; 10.799; 90; 90; 90; |
| COD ID: 7204880 | |
| CIF file | Formula: - C9 H4 F4 O - Comments: Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm 6(32) (2004) 184 Space group: P 1 Cell volume: 199.37 Cell parameters: 4.0302; 6.24; 8.22; 104.97; 92.28; 91.73; |
| COD ID: 7204881 | |
| CIF file | Formula: - C9 H8 S - Comments: Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm 6(32) (2004) 184 Space group: P 21 21 21 Cell volume: 801.3 Cell parameters: 5.646; 7.268; 19.528; 90; 90; 90; |
| COD ID: 7204882 | |
| CIF file | Formula: - C9 H8 - Comments: Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon CrystEngComm 6(32) (2004) 184 Space group: P 1 21/n 1 Cell volume: 674.86 Cell parameters: 5.9008; 10.0652; 11.6577; 90; 102.919; 90; |
| COD ID: 7204883 | |
| CIF file | Formula: - C10 H17 Br2 Cu N5 O2 - Comments: Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides CrystEngComm 6(28) (2004) 159 Space group: P 1 21/c 1 Cell volume: 1518.68 Cell parameters: 8.6911; 13.1827; 13.275; 90; 93.128; 90; |
| COD ID: 7204884 | |
| CIF file | Formula: - C10 H15 Cl2 Cu N5 O - Comments: Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides CrystEngComm 6(28) (2004) 159 Space group: P 1 2/c 1 Cell volume: 1399.52 Cell parameters: 12.009; 8.5819; 13.9542; 90; 103.305; 90; |
| COD ID: 7204885 | |
| CIF file | Formula: - C10 H17 Cl2 Cu N5 O2 - Comments: Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides CrystEngComm 6(28) (2004) 159 Space group: P 1 21/n 1 Cell volume: 1515.7 Cell parameters: 11.81; 8.2394; 16.073; 90; 104.282; 90; |
| COD ID: 7204886 | |
| CIF file | Formula: - C9 H13 Cl2 Cu N5 O - Comments: Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides CrystEngComm 6(28) (2004) 159 Space group: P 1 21/n 1 Cell volume: 1289.8 Cell parameters: 11.4766; 8.7847; 13.5378; 90; 109.089; 90; |
| COD ID: 7204887 | |
| CIF file | Formula: - C36 H30 Ag B F4 N2 O2 - Comments: Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes CrystEngComm 6(31) (2004) 177 Space group: P -1 Cell volume: 1652.59 Cell parameters: 11.9013; 11.9578; 13.8143; 112.245; 112.224; 91.301; |
| COD ID: 7204888 | |
| CIF file | Formula: - C36 H30 Ag F6 N2 O2 P - Comments: Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes CrystEngComm 6(31) (2004) 177 Space group: P 1 21/c 1 Cell volume: 1669.98 Cell parameters: 12.4855; 8.6349; 15.6533; 90; 98.286; 90; |
| COD ID: 7216186 | |
| CIF file | Formula: - C32 H24 Cl2 O4 S - Comments: Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross 2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects CrystEngComm 6(58) (2004) 326 Space group: C 1 2/c 1 Cell volume: 5334.92 Cell parameters: 20.2438; 14.308; 19.1313; 90; 105.688; 90; |
| COD ID: 7216187 | |
| CIF file | Formula: - C31 H19 Cl2 O2 S - Comments: Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross 2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects CrystEngComm 6(58) (2004) 326 Space group: C 1 2/c 1 Cell volume: 4808.3 Cell parameters: 33.3796; 10.1112; 14.2492; 90; 91.117; 90; |
| COD ID: 7216188 | |
| CIF file | Formula: - C28 H16 Cl2 O2 S - Comments: Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross 2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects CrystEngComm 6(58) (2004) 326 Space group: P 1 21/a 1 Cell volume: 2197.2 Cell parameters: 13.991; 10.2442; 15.5461; 90; 99.564; 90; |
| COD ID: 7216189 | |
| CIF file | Formula: - C12 H10 Cd2 N16 - Comments: Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands CrystEngComm 6(89) (2004) 549 Space group: P -1 Cell volume: 470.76 Cell parameters: 6.622; 7.7322; 9.8897; 80.5127; 88.4579; 70.5583; |
| COD ID: 7216190 | |
| CIF file | Formula: - C26 H28 Cd2 Cl2 N16 O9 - Comments: Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands CrystEngComm 6(89) (2004) 549 Space group: P n a 21 Cell volume: 3821.59 Cell parameters: 10.7543; 15.5103; 22.9109; 90; 90; 90; |
| COD ID: 7216191 | |
| CIF file | Formula: - C12 H11 Cd2 N17 - Comments: Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands CrystEngComm 6(89) (2004) 549 Space group: C 1 2/c 1 Cell volume: 1937.04 Cell parameters: 13.3175; 12.4223; 13.3087; 90; 118.383; 90; |
| COD ID: 7216192 | |
| CIF file | Formula: - C12 H12 Cd2 N18 - Comments: Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands CrystEngComm 6(89) (2004) 549 Space group: C 1 2/c 1 Cell volume: 2022.04 Cell parameters: 12.9875; 12.8242; 13.6191; 90; 116.947; 90; |
| COD ID: 7216193 | |
| CIF file | Formula: - C14 H14 Cd2 N16 - Comments: Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands CrystEngComm 6(89) (2004) 549 Space group: P 1 21/c 1 Cell volume: 2060.5 Cell parameters: 12.733; 12.911; 13.92; 90; 115.79; 90; |
| COD ID: 7216194 | |
| CIF file | Formula: - C38 H40 Cl4 Cu2 N6 O7 - Comments: Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines CrystEngComm 6(102) (2004) 627-632 Space group: P 1 21/a 1 Cell volume: 4050.4 Cell parameters: 11.766; 24.48; 14.315; 90; 100.78; 90; |
| COD ID: 7216195 | |
| CIF file | Formula: - C18 H18 Cl Cu N3 O4 - Comments: Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines CrystEngComm 6(102) (2004) 627-632 Space group: P 1 Cell volume: 906.4 Cell parameters: 5.688; 7.57; 21.55; 85.59; 84.57; 79.43; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!