Crystallography Open Database
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Searching year of publication is 2004
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100111 | CIF | B12 H12 N2 O12 | P 1 21/n 1 | 7.13566; 10.3924; 9.24771 90; 92.9905; 90 | 684.85 | Daniel J. Stasko; Kevin J. Perzynski; Mark A. Wasil; Julia K. Brodbeck; Kristin Kirschbaum; Yong Wah Kim; Cora Lind An Addition to the Oxoacid Family: H2B12(OH)12 Inorganic Chemistry, 2004, 43, 3786-3788 |
| 1100119 | CIF | C6 H24 Al2 F10 N4 O | P -1 | 7.6996; 8.838; 12.197 105.87; 97.74; 106.317 | 745.8 | K. Adil; M. Leblanc; V. Maisonneuve [H~4~tren].(Al~2~F~10~).H~2~O Acta Crystallographica, Section E, 2004, 60, m1379-m1381 |
| 1100139 | CIF | C27 H37 Au Br4 N12 O9 | P -1 | 11.3215; 11.908; 16.4596 71.538; 71.675; 78.681 | 1986.6 | Esther R. Acuna-Cueva; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros Structural Chemistry, 2004, 15, 159-163 |
| 1100152 | CIF | C22 H20 Cl2 Cu N16 O10 | C 1 2/c 1 | 19.666; 11.7586; 13.4808 90; 103.69; 90 | 3028.8 | Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one Journal of Chemical Crystallography, 2004, 34, 549-552 |
| 1100156 | CIF | C22 H22 N4 Ni O6 | P -1 | 9.17; 10.936; 12.717 106.91; 110.208; 90.172 | 1137.4 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100157 | CIF | C37 H34 N6 Ni O6 | P 1 21/n 1 | 9.2191; 29.972; 12.5644 90; 94.428; 90 | 3461.3 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100158 | CIF | C7 H10 Cu N2 O6 | P -1 | 5.528; 7.267; 13.626 75.045; 85.826; 75.613 | 512.2 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100159 | CIF | C9 H14 Cu N2 O6 | P 1 21/c 1 | 5.422; 13.436; 17 90; 92.324; 90 | 1237.4 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100160 | CIF | C11 H18 Cu N2 O6 | P 1 21/n 1 | 9.6623; 17.63; 9.7978 90; 118.748; 90 | 1463.3 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100161 | CIF | C12 H19 N4 O6.5 Zn | P b c n | 20.4557; 10.4408; 15.0918 90; 90; 90 | 3223.2 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100162 | CIF | C14 H22 N4 O6 Zn | P 43 21 2 | 10.7634; 10.7634; 16.442 90; 90; 90 | 1904.8 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100163 | CIF | C46 H46 N12 O6 Zn | P 1 21/c 1 | 12.9507; 9.0191; 22.209 90; 119.763; 90 | 2251.9 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100164 | CIF | C14 H22 N4 Ni O6 | C 1 2/c 1 | 19.392; 8.477; 11.412 90; 111.795; 90 | 1741.9 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
| 1100165 | CIF | C10 H18 N8 O8 Zn | P b c a | 7.543; 13.1384; 17.2599 90; 90; 90 | 1710.5 | Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron, 2004, 23, 743-747 |
| 1100166 | CIF | C44.75 H32 Ag O2 P2 | C 1 2/c 1 | 17.417; 21.402; 11.298 90; 117.15; 90 | 3747.4 | Norie Momiyama; Hisashi Yamamoto Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity Journal of the American Chemical Society, 2004, 126, 5360-5361 |
| 1100169 | CIF | C20 H20 N16 O8 Pd2 | C 2 2 21 | 12.864; 14.634; 30.703 90; 90; 90 | 5779.7 | Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron, 2004, 23, 2373-2379 |
| 1100170 | CIF | C34 H30 N14 O12 Pd2 | C 1 2/c 1 | 19.688; 14.219; 14.448 90; 110.02; 90 | 3800 | Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron, 2004, 23, 2373-2379 |
| 1100171 | CIF | C22 H40 N14 O11 Pd2 | P 1 21/c 1 | 10.2842; 18.92; 18.45 90; 104.117; 90 | 3481.5 | Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Polyhedron, 2004, 23, 2373-2379 |
| 1100172 | CIF | C8 H10 N2 O5 | P 1 21 1 | 10.432; 5.645; 16.783 90; 94.943; 90 | 984.65 | Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine D-Phenylglycinium nitrate Acta Crystallographica, Section E, 2004, 60, o272-o274 |
| 1100688 | CIF | C15 H16 N4 S | P m n 21 | 18.381; 6.1799; 6.1865 90; 90; 90 | 702.7 | Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione Bulletin of the Korean Chemical Society, 2004, 25, 1935-1936 |
| 1100690 | CIF | C8 H32 N4 O16 P4 | P -1 | 7.733; 10.511; 7.715 98.17; 109.89; 82.79 | 581.7 | Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O Analytical Sciences: X-ray Structure Analysis Online, 2004, 20, x1-x2 |
| 1100691 | CIF | C36 H48 Cd Cl2 N8 O8 S4 | P 1 21/n 1 | 11.082; 35.856; 12.135 90; 106.04; 90 | 4634 | Cherni, Saoussen Namouchi; Samba, Mohamadou; Dachraoui, Mohamed Crystal Structure of Tetrakis(N,N-dimethyl, N'-phenylthiourea-S) cadmium(II) diperchlorate [Cd((CH~3~)~2~NCSNHPh)~4~](ClO~4~)~2~ Analytical Sciences: X-ray Structure Analysis Online, 2004, 20, x3-x4 |
| 1100692 | CIF | Bi2 K6 O21 P6 | P 1 | 6.985; 9.045; 10.256 111.87; 104.25; 102 | 549.5 | Falah, Chiraz; Boughzala, Habib; Jouini, Tahar Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~ Analytical Sciences: X-ray Structure Analysis Online, 2004, 20, x17-x18 |
| 1100873 | CIF | C38 H42 O13 P Pt Ru5 | P -1 | 12.6218; 13.3776; 14.3654 92.678; 91.051; 109.958 | 2275.91 | Adams, Richard D.; Captain, Burjor; Zhu, Lei Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)] Journal of the American Chemical Society, 2004, 126, 3042-3043 |
| 1101169 | CIF | Al13 O82.1 V3 W5.98 | C 1 2/c 1 | 44.567; 25.766; 20.626 90; 104.526; 90 | 22928 | Jung-Ho Son; Young-Uk Kwon Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O Inorganic Chemistry, 2004, 43, 1929-1932 |
| 1501599 | CIF | C109 H180 N24 O20 | I -4 | 11.8715; 11.8715; 40.004 90; 90; 90 | 5637.9 | Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids Macromolecules, 2004, 37, 7351-7357 |
| 1501609 | CIF | C29 H16 N4 S4 | P 1 21/n 1 | 11.649; 11.4547; 20.5132 90; 95.89; 90 | 2722.74 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem., 2004, 82, 386-398 |
| 1501610 | CIF | C45 H56 N4 O10 | I -4 | 24.9135; 24.9135; 7.1597 90; 90; 90 | 4443.9 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem., 2004, 82, 386-398 |
| 1501611 | CIF | C44 H56 N4 O12 Si | P 42/n :2 | 17.7781; 17.7781; 7.1904 90; 90; 90 | 2272.6 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem., 2004, 82, 386-398 |
| 1501612 | CIF | C47 H64 N8 O8 | I 41 | 17.2392; 17.2392; 17.3495 90; 90; 90 | 5156.1 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem., 2004, 82, 386-398 |
| 1501613 | CIF | C55 H80 N4 O8 | I 41 | 17.7201; 17.7201; 16.0845 90; 90; 90 | 5050.6 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem., 2004, 82, 386-398 |
| 1501614 | CIF | C53 H80 N8 O16 y | P -4 21 c | 17.281; 17.281; 20.591 90; 90; 90 | 6149.2 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks Can. J. Chem., 2004, 82, 386-398 |
| 1506794 | CIF | C23 H30 O11 P2 | P 1 21/n 1 | 7.8919; 14.421; 23.706 90; 96.36; 90 | 2681.4 | Chen, Xiao-Lan; Qu, Ling-Bo; Zhang, Ting; Liu, Hong-Xia; Yu, Fei; Yu, Youzhu; Liao, Xincheng; Zhao, Yu-Fen The nature of phosphorylated chrysin-protein interactions involved in noncovalent complex formation by electrospray ionization mass spectroscopy. Analytical chemistry, 2004, 76, 211-217 |
| 1506795 | CIF | C14 H19 N O4 S | P 1 21 1 | 6.1115; 13.323; 8.8714 90; 93.246; 90 | 721.2 | Kawulka, Karen E.; Sprules, Tara; Diaper, Christopher M.; Whittal, Randy M.; McKay, Ryan T.; Mercier, Pascal; Zuber, Peter; Vederas, John C. Structure of subtilosin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives. Biochemistry, 2004, 43, 3385-3395 |
| 1506796 | CIF | C21 H17 F12 N5 O2 P2 | P -1 | 13.4948; 13.8511; 23.133 93.354; 100.455; 119.018 | 3664 | Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A. DNA binding of an organic dppz-based intercalator. Biochemistry, 2004, 43, 13657-13665 |
| 1506797 | CIF | C19 H14 N4 O | P 1 21/n 1 | 4.5905; 12.887; 25.03 90; 95.149; 90 | 1474.7 | Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A. DNA binding of an organic dppz-based intercalator. Biochemistry, 2004, 43, 13657-13665 |
| 1506798 | CIF | C37 H57 Al N2 O2 | P 1 21/n 1 | 10.135; 17.391; 20.788 90; 98.25; 90 | 3626.1 | Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex Biomacromolecules, 2004, 5, 965 |
| 1506799 | CIF | C16 H14 N2 S | P -1 | 11.3899; 12.0714; 17.4959 87.675; 72.756; 65.371 | 2078.9 | Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry, 2004, 6, 928 |
| 1506800 | CIF | C13 H16 N2 O S | P 1 21/n 1 | 12.7346; 6.0351; 16.4 90; 99.31; 90 | 1243.8 | Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry, 2004, 6, 928 |
| 1506801 | CIF | C23 H18 N2 O | P 21 21 21 | 5.2746; 16.1821; 20.485 90; 90; 90 | 1748.48 | Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry, 2004, 6, 928 |
| 1506802 | CIF | C14 H12 N4 O4 S | P b c a | 8.11; 17.9243; 21.3183 90; 90; 90 | 3099 | Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels Journal of Combinatorial Chemistry, 2004, 6, 928 |
| 1506803 | CIF | C14 H12 O3 | P 1 21/c 1 | 4.3791; 9.2158; 26.681 90; 92.748; 90 | 1075.5 | Caruso, Francesco; Tanski, Joseph; Villegas-Estrada, Adriel; Rossi, Miriam Structural basis for antioxidant activity of trans-resveratrol: ab initio calculations and crystal and molecular structure. Journal of agricultural and food chemistry, 2004, 52, 7279-7285 |
| 1506804 | CIF | C19 H27 F N2 O3 | P 21 21 21 | 9.907; 10.077; 19.678 90; 90; 90 | 1964.51 | Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold. Journal of medicinal chemistry, 2004, 47, 6595-6602 |
| 1506805 | CIF | C18 H19 N O4 | P 1 21/c 1 | 9.0694; 22.47; 8.1591 90; 97.872; 90 | 1647.1 | Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives The Journal of Physical Chemistry B, 2004, 108, 1831 |
| 1506806 | CIF | C19 H21 N O4 | P 1 21/c 1 | 8.9277; 23.583; 8.1672 90; 98.186; 90 | 1702.02 | Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives The Journal of Physical Chemistry B, 2004, 108, 1831 |
| 1506807 | CIF | C8 H20 Cl Li O8 | C 1 2/c 1 | 13.147; 8.9501; 12.378 90; 108.09; 90 | 1384.5 | Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G. LiClO4Electrolyte Solvate Structures The Journal of Physical Chemistry A, 2004, 108, 225 |
| 1506808 | CIF | C12 H28 Cl Li O10 | P c c n | 31.229; 12.075; 15.127 90; 90; 90 | 5704.2 | Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G. LiClO4Electrolyte Solvate Structures The Journal of Physical Chemistry A, 2004, 108, 225 |
| 1506809 | CIF | C18 H19 N4 O2 | P c a 21 | 13.515; 11.858; 10.593 90; 90; 90 | 1697.6 | Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond. The journal of physical chemistry. B, 2004, 108, 6144-6151 |
| 1506810 | CIF | C46 H54 N14 Ni O8 | P -1 | 13.181; 13.563; 14.545 91.87; 96.19; 110.94 | 2407.3 | Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B, 2004, 108, 2173 |
| 1506811 | CIF | C48 H58 N14 Ni O8 | P 1 21/n 1 | 14.351; 22.677; 15.373 90; 103.05; 90 | 4873.7 | Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B, 2004, 108, 2173 |
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