Crystallography Open Database
Search results
Result: there are 478 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'CrystEngComm' volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7203018 | CIF | C24 H22 Cl2.03 Cu N4 O2.79 | P -1 | 9.4866; 12.7984; 13.0868 98.379; 104.084; 91.693 | 1521.2 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203019 | CIF | C24 H22 Co N6 O6 | P -1 | 9.3562; 10.2179; 13.8837 101.079; 96.15; 110.015 | 1202.18 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203020 | CIF | C24 H23 Cu N7 O9 | P -1 | 8.0308; 8.6296; 20.091 93.94; 92.29; 116.16 | 1242.9 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203021 | CIF | C26 H30 Co N4 O6 S | P -1 | 10.6604; 10.7821; 11.5302 80.902; 84.283; 79.048 | 1281.48 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203022 | CIF | C24 H29 Cu N4 O8.25 S1.25 | P -1 | 9.4677; 10.179; 16.2431 79.789; 75.907; 71.378 | 1430.31 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203023 | CIF | C24 H22 Cl4 Cu2 N4 O2 | P 21 21 21 | 8.4675; 12.8704; 24.3518 90; 90; 90 | 2653.86 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203024 | CIF | C24.2 H22 Cl4 Cu2 N4 O0.2 | P 21 21 21 | 8.5212; 12.8596; 24.1208 90; 90; 90 | 2643.14 | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand CrystEngComm, 2007, 9, 997 |
| 7203025 | CIF | C23 H21 O7 S Y | P 42/n :2 | 22.2733; 22.2733; 8.9917 90; 90; 90 | 4460.8 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203026 | CIF | C23 H21 O7 S Tb | P 42/n :2 | 22.2964; 22.2964; 8.9633 90; 90; 90 | 4455.92 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203027 | CIF | C48 H48 N2 O16 Y2 | P 1 21/c 1 | 11.5806; 8.3012; 24.9731 90; 101.617; 90 | 2351.6 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203028 | CIF | C24 H21 O6 Y | P 21 21 21 | 8.0308; 13.9735; 19.0422 90; 90; 90 | 2136.88 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203029 | CIF | C54 H60 N2 O16 Y2 | C 1 2/c 1 | 27.125; 8.6116; 23.062 90; 105.1; 90 | 5201 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203030 | CIF | C56 H70 O18 S4 Y2 | P -1 | 8.5731; 12.059; 16.072 106.75; 96.04; 102.04 | 1531.6 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203031 | CIF | C56 H70 O18 S4 Y2 | P -1 | 8.5475; 13.4364; 14.1992 99.577; 106.649; 102.216 | 1481.45 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203032 | CIF | C24 H19 N4 O13 Y | P -1 | 8.2242; 13.0741; 13.1527 90.801; 105.04; 106.894 | 1300.72 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203033 | CIF | C24 H19 N4 O13 Tb | P -1 | 8.2095; 13.1346; 13.1596 91.09; 106.536; 104.418 | 1311.26 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203034 | CIF | C48 H46 N6 O29 S3 Y2 | P -1 | 10.4247; 16.1016; 18.7135 93.351; 101.038; 106.429 | 2935.9 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203035 | CIF | C60 H70 N12 O32 Tb2 | P 1 21/n 1 | 9.6946; 26.4487; 14.4156 90; 105.594; 90 | 3560.24 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203036 | CIF | C25 H28 N3 O16 S2 Y | P -1 | 9.9516; 10.5178; 15.9228 98.84; 96.54; 107.148 | 1551.09 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203037 | CIF | C25 H28 N3 O16 S2 Tb | P -1 | 9.9572; 10.5317; 15.9559 98.894; 96.585; 107.184 | 1556.36 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203038 | CIF | C54 H60 N2 O22 Y2 | P 1 21/c 1 | 8.3522; 24.8189; 14.2312 90; 106.889; 90 | 2822.8 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203039 | CIF | C53.91 H59.91 N1.91 O22 S0.09 Tb2 | P 1 21/c 1 | 8.3594; 24.7689; 14.2505 90; 106.805; 90 | 2824.6 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203040 | CIF | C52 H58 O22 S2 Tb2 | P 1 21/c 1 | 8.3013; 24.635; 14.0564 90; 105.388; 90 | 2771.52 | Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R. Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium CrystEngComm, 2007, 9, 1110 |
| 7203041 | CIF | C23 H40 N4 O4 | P 1 | 9.5399; 12.0328; 12.2882 101.156; 100.498; 99.211 | 1332.6 | Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A. The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines CrystEngComm, 2007, 9, 922 |
| 7203042 | CIF | C24 H42.24 N4 O4.12 | P 1 | 9.5544; 12.1536; 12.369 102.81; 105.373; 97.475 | 1322.91 | Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A. The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines CrystEngComm, 2007, 9, 922 |
| 7203043 | CIF | C24 H42 N4 O4 | P 1 | 9.5671; 12.091; 12.44 102.069; 101.335; 99.598 | 1346.9 | Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A. The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines CrystEngComm, 2007, 9, 922 |
| 7203044 | CIF | C24 H42.28 N4 O4.14 | P 1 21 1 | 9.5358; 23.642; 12.0899 90; 98.904; 90 | 2692.8 | Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A. The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines CrystEngComm, 2007, 9, 922 |
| 7203046 | CIF | C26 H28 N2 Ni O4 P2 S6 | P 1 21/c 1 | 14.3232; 18.5768; 12.4832 90; 111.061; 90 | 3099.6 | Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide CrystEngComm, 2007, 9, 873 |
| 7203047 | CIF | C28 H32 N2 Ni O4 P2 S7 | C 1 2/c 1 | 17.618; 8.0323; 25.068 90; 100.63; 90 | 3486.6 | Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide CrystEngComm, 2007, 9, 873 |
| 7203048 | CIF | C18 H28 N2 Ni O4 P2 S5 | P -1 | 8.1601; 9.4126; 17.9991 99.453; 99.986; 94.511 | 1334.85 | Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide CrystEngComm, 2007, 9, 873 |
| 7203049 | CIF | C14 H14 N4 O6 | C 1 2/c 1 | 11.6911; 9.9945; 12.1366 90; 102.743; 90 | 1383.2 | Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C. Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism CrystEngComm, 2007, 9, 743 |
| 7203050 | CIF | C14 H14 N4 O6 | P -1 | 3.6811; 7.5912; 12.455 85.638; 87.856; 84.221 | 345.11 | Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C. Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism CrystEngComm, 2007, 9, 743 |
| 7203051 | CIF | C150 H165.28 N8 O142.05 | P 1 | 15.067; 15.478; 23.36 101.02; 99.84; 105.1 | 5021 | Chatziefthimiou, Spyros D.; Yannakopoulou, Konstantina; Mavridis, Irene M. β-Cyclodextrin trimers enclosing an unusual organization of guest: The inclusion complex β-cyclodextrin/4-pyridinealdazine CrystEngComm, 2007, 9, 976 |
| 7203052 | CIF | C10 H16 Cs2 N4 Ni O14 | P -1 | 7.1982; 8.634; 9.2042 105.813; 99.892; 112.181 | 484.83 | Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes CrystEngComm, 2007, 9, 852 |
| 7203053 | CIF | C42 H84 N6 Ni O12 | P -1 | 12.1915; 12.3098; 16.4178 90.374; 96.009; 95.849 | 2437.24 | Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes CrystEngComm, 2007, 9, 852 |
| 7203054 | CIF | C H5 N3 O4 | P 1 21/c 1 | 7.9761; 8.2004; 7.3668 90; 103.414; 90 | 468.697 | Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu. NO3‒⋯NO3‒ and NO3‒⋯π interactions in the crystal of urea nitrate CrystEngComm, 2007, 9, 991 |
| 7203056 | CIF | C9 H8 O S | P b c a | 14.745; 5.7176; 20.659 90; 90; 90 | 1741.7 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203057 | CIF | C9 H8 O S | P 21 21 21 | 5.9369; 10.9023; 13.2907 90; 90; 90 | 860.25 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203058 | CIF | C9 H8 O2 S | P c a 21 | 22.1885; 5.6567; 14.0833 90; 90; 90 | 1767.6 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203059 | CIF | C9 H8 O2 S | P 1 21 1 | 6.0507; 9.6244; 7.9662 90; 109.273; 90 | 437.91 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203060 | CIF | C10 H10 O S | P -1 | 6.7881; 7.9542; 8.7386 94.048; 92.037; 95.872 | 467.75 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203061 | CIF | C10 H10 O2 S | P 1 21/n 1 | 10.5942; 7.9196; 11.5721 90; 98.59; 90 | 960.03 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203062 | CIF | C10 H10 O3 S | P 21 21 21 | 7.9083; 8.889; 14.4521 90; 90; 90 | 1015.94 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203063 | CIF | C9 H7 F O2 S | P -1 | 7.389; 8.134; 8.474 109.23; 98.6; 106.01 | 445.7 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203064 | CIF | C11 H12 O3 S | P 21 21 21 | 6.586; 10.1867; 16.9358 90; 90; 90 | 1136.22 | Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering CrystEngComm, 2007, 9, 1041 |
| 7203066 | CIF | C20 H13 N O2 S | P 21 21 21 | 5.8976; 16.381; 16.464 90; 90; 90 | 1590.6 | Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael Concomitant formation of chiral and racemic crystals of a diaryl sulfide CrystEngComm, 2007, 9, 856 |
| 7203067 | CIF | C20 H13 N O2 S | P 1 21/c 1 | 8.6557; 12.706; 14.439 90; 94.42; 90 | 1583.3 | Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael Concomitant formation of chiral and racemic crystals of a diaryl sulfide CrystEngComm, 2007, 9, 856 |
| 7203068 | CIF | C13 H9 Cu2 N3 O4 | P 1 c 1 | 10.864; 5.116; 12.282 90; 104.53; 90 | 660.8 | Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding CrystEngComm, 2007, 9, 987 |
| 7203069 | CIF | C54 H46 Fe N O13 S32 | P -1 | 9.5456; 11.1348; 37.703 82.05; 86.294; 66.254 | 3632.7 | Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth Metallic molecular crystals containing chiral or racemic guest molecules CrystEngComm, 2007, 9, 865 |
| 7203070 | CIF | C54 H46 Fe N O13 S32 | P 1 | 9.5293; 11.168; 37.6039 81.788; 86.147; 66.364 | 3628.4 | Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth Metallic molecular crystals containing chiral or racemic guest molecules CrystEngComm, 2007, 9, 865 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!