Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7050370 | CIF | C18 H44 N3 O21 P4 Sm | C 1 2/c 1 | 9.63; 21.727; 17.275 90; 96.69; 90 | 3589.9 | Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G. Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates New Journal of Chemistry, 2004, 28, 1457 |
| 7050371 | CIF | C18 H44 La N3 O21 P4 | P 1 21/c 1 | 8.8205; 20.0885; 20.63 90; 91.716; 90 | 3653.8 | Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G. Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates New Journal of Chemistry, 2004, 28, 1457 |
| 7050382 | CIF | C7 H15 N O2 S | P 1 21/c 1 | 5.3858; 13.3905; 13.4835 90; 96.434; 90 | 966.29 | Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen Hydrogen bonds in “push-pull” enamines New J. Chem., 2004, 28, 1562-1567 |
| 7050383 | CIF | C9 H17 N O2 S | P 1 21 1 | 5.764; 16.888; 6.447 90; 115.2; 90 | 567.8 | Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen Hydrogen bonds in “push-pull” enamines New J. Chem., 2004, 28, 1562-1567 |
| 7050384 | CIF | C35 H58 Cl12 N4 Si Ti3 | P 1 21/c 1 | 20.7206; 20.5047; 11.9981 90; 93.101; 90 | 5090.2 | Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B. Ambiphilic ligands from the 1,4-benzenebis(amidine) framework New Journal of Chemistry, 2004, 28, 1195-1197 |
| 7050385 | CIF | C44 H36 N2 Ni O5 | P -1 | 7.2878; 14.4364; 17.4246 72.557; 85.278; 82.046 | 1730.49 | Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures New J. Chem., 2004, 28, 1615-1621 |
| 7050386 | CIF | C28 H25 N3 Ni O5 | C 1 2/c 1 | 23.2759; 8.4381; 25.9355 90; 96.476; 90 | 5061.34 | Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures New J. Chem., 2004, 28, 1615-1621 |
| 7050387 | CIF | C37 H39 N3 Ni O8 | P 1 21 1 | 21.8152; 7.5781; 22.956 90; 114.209; 90 | 3461.28 | Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures New J. Chem., 2004, 28, 1615-1621 |
| 7050392 | CIF | C H5 B9 Br5 Cs | P 4/n m m :2 | 8.3873; 8.3873; 10.5853 90; 90; 90 | 744.64 | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] New J. Chem., 2004, 28, 1499-1505 |
| 7050393 | CIF | C H6 B11 Br6 Cs | P 1 2/c 1 | 15.0967; 9.246; 12.5568 90; 97.112; 90 | 1739.24 | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] New J. Chem., 2004, 28, 1499-1505 |
| 7050395 | CIF | C228 H218 O13 | C 1 2/c 1 | 35.96; 24.41; 25.89 90; 126.99; 90 | 18152 | Nicola Armaroli; Gianluca Accorsi; Yannick Rio; Paola Ceroni; Veronica Vicinelli; Richard Welter; Tao Gu; Mohamed Saddik; Michel Holler; Jean-François Nierengarten Electronic properties of oligophenylenevinylene and oligophenyleneethynylene arrays constructed on the upper rim of a calix[4]arene core New J. Chem., 2004, 28, 1627-1637 |
| 7052502 | CIF | C56 H44 Co2 O8 P4 | P -1 | 9.0167; 10.6153; 14.1165 80.777; 72.91; 89.329 | 1273.91 | Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D. Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/ New Journal of Chemistry, 2004, 28, 527 |
| 7052503 | CIF | C28 H18 Co4 O14 | P -1 | 7.9541; 8.0955; 12.4315 86.127; 85.621; 77.462 | 778.05 | Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D. Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/ New Journal of Chemistry, 2004, 28, 527 |
| 7052504 | CIF | C22 H28 Cl Fe N4 O8 | C 1 2/c 1 | 13.084; 18.5298; 10.169 90; 97.236; 90 | 2445.8 | Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix New J. Chem., 2004, 28, 535-541 |
| 7052508 | CIF | C H7 N2 O5 P | P b c a | 7.472; 8.9926; 17.5962 90; 90; 90 | 1182.34 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7052509 | CIF | C H7 N2 O5 P | P b c a | 7.4858; 9.0041; 17.6597 90; 90; 90 | 1190.31 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7052510 | CIF | C H7 N2 O5 P | P b c a | 7.4904; 9.0176; 17.7254 90; 90; 90 | 1197.27 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7052511 | CIF | C7 H9 Co N O7 | P -1 | 7.1111; 7.8561; 9.031 75.614; 68.57; 76.107 | 448.63 | Zhou, You-Fu; Yuan, Da-Qiang; Wu, Ben-Lai; Wang, Rui-Hu; Hong, Mao-Chun Design of metal-organic NLO materials: complexes derived from pyridine-3,4-dicarboxylate New Journal of Chemistry, 2004, 28, 1590 |
| 7052512 | CIF | C H6 B11 Cl6 Cs | P 1 2/c 1 | 14.5462; 8.8913; 12.2784 90; 97.01; 90 | 1576.15 | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] New J. Chem., 2004, 28, 1499-1505 |
| 7053689 | CIF | C30 H24 O3 | R -3 :H | 21.7465; 21.7465; 16.8412 90; 90; 120 | 6897.4 | Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P. Interpenetration of distinct 2D and 3D organic networks in the crystal structure of 1,3,5-tris(4-methylbenzoyl)benzene New Journal of Chemistry, 2004, 28, 1192 |
| 7209303 | CIF | Ag Al4 In Se8 | F d -3 m :1 | 10.69; 10.69; 10.69 90; 90; 90 | 1221.61 | Range, K.J.; Huebner, H.J. Hochdrucjphasen des Cu In Al4 Se8 und Ag In Al4 Se8 mit Spinellstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 355-357 |
| 7221163 | CIF | Li Sn | P 1 2/m 1 | 5.17; 3.18; 7.74 90; 104.5; 90 | 123.197 | Mueller, W.; Schaefer, H. Die Kristallstruktur der Phase Li Sn Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 246-248 |
| 7222847 | CIF | Li6 O6 U | R -3 m :H | 8.338; 8.338; 7.352 90; 90; 120 | 442.649 | Hauck, J. Zur Kristallstruktur des alpha-Li6 U O6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 215-216 |
| 7222898 | CIF | Al21.32 S31.98 | F d -3 m :1 | 9.94; 9.94; 9.94 90; 90; 90 | 982.108 | Range, K.J.; Huebner, H.J. Kubische Hochdruckphasen des Al2 S3 und Al2 Se3 mit Defekt - Spinellstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 353-355 |
| 7222899 | CIF | Al21.32 Se31.98 | F d -3 m :1 | 10.45; 10.45; 10.45 90; 90; 90 | 1141.17 | Range, K.J.; Huebner, H.J. Kubische Hochdruckphasen des Al2 S3 Und Al2 Se3 mit Defekt - Spinellstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 353-355 |
| 7222934 | CIF | Ba2 Ge | P n m a | 8.38; 5.48; 10.04 90; 90; 90 | 461.061 | Turban, K.; Schaefer, H. Darstellung und Kristallstruktur des Ba2 Ge Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 220-222 |
| 7251080 | CIF | C10 H3 F5 S | P -1 | 6.4378; 7.2041; 19.8873 94.374; 90.518; 94.324 | 916.94 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm, 2026, 28, 390-395 |
| 7251081 | CIF | C19 H23 F5 S Si | P 1 21/n 1 | 8.5617; 19.8126; 11.6723 90; 94.529; 90 | 1973.78 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm, 2026, 28, 390-395 |
| 7251082 | CIF | C13 H11 F5 S Si | P c a 21 | 30.7633; 6.8541; 13.4097 90; 90; 90 | 2827.5 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm, 2026, 28, 390-395 |
| 7251083 | CIF | C16 H17 F5 S Si | P -1 | 7.453; 7.5747; 17.1723 85.62; 80.227; 61.642 | 840.72 | Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm, 2026, 28, 390-395 |
| 7251220 | CIF | C27 H26 N2 O | P 43 | 13.5803; 13.5803; 11.6172 90; 90; 90 | 2142.5 | Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K. Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids Green Chemistry, 2026, 28, 365-374 |
| 7251221 | CIF | C26 H24 N2 O2 | P 1 21 1 | 12.203; 7.0304; 12.614 90; 103.755; 90 | 1051.1 | Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K. Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids Green Chemistry, 2026, 28, 365-374 |
| 7251222 | CIF | C28 H26 N2 | P 1 21/n 1 | 10.2031; 18.048; 12.5014 90; 109.1; 90 | 2175.3 | Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K. Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids Green Chemistry, 2026, 28, 365-374 |
| 7251223 | CIF | C28 H26 N2 O2 | P 1 21/c 1 | 9.1088; 10.6818; 23.1277 90; 95.527; 90 | 2239.83 | Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K. Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids Green Chemistry, 2026, 28, 365-374 |
| 7251224 | CIF | C26 H19 N O | P 1 21/n 1 | 9.8144; 8.2022; 22.949 90; 100.027; 90 | 1819.2 | Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides Green Chemistry, 2026, 28, 343-350 |
| 7251225 | CIF | C27 H26 N2 O2 | C 1 2/c 1 | 23.3054; 9.0717; 21.5229 90; 111.995; 90 | 4219.2 | Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides Green Chemistry, 2026, 28, 343-350 |
| 7251226 | CIF | C22 H23 Br N2 O2 | P 1 21/c 1 | 10.7771; 15.1534; 12.5418 90; 105.628; 90 | 1972.48 | Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides Green Chemistry, 2026, 28, 343-350 |
| 7251227 | CIF | C20 H19 N O | P 1 21/c 1 | 18.0371; 10.3994; 17.8291 90; 117.232; 90 | 2973.62 | Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides Green Chemistry, 2026, 28, 343-350 |
| 7251237 | CIF | C16 H25 N19 O14 | P -1 | 4.8568; 7.9049; 18.9454 79.632; 87.383; 77.432 | 698.33 | Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua Synthesis of energetic materials derived from hydroxynitropyrazine CrystEngComm, 2026, 28, 163-168 |
| 7251238 | CIF | C4 H9 Li N4 Na O11 | P -1 | 7.8258; 8.446; 10.152 90.324; 100.963; 116.811 | 584.7 | Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua Synthesis of energetic materials derived from hydroxynitropyrazine CrystEngComm, 2026, 28, 163-168 |
| 7251239 | CIF | C20 H15 K9 N20 O38 | P -1 | 8.3085; 16.2606; 18.1267 73.099; 88.41; 86.483 | 2338.63 | Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua Synthesis of energetic materials derived from hydroxynitropyrazine CrystEngComm, 2026, 28, 163-168 |
| 7251248 | CIF | Ca8.61 Cd0.69 La0.82 O28 P7 | R 3 c :H | 10.4631; 10.4631; 37.42078 90; 90; 120 | 3547.84 | Sipina, Elena V.; Zhukovskaya, Evgeniya S.; Morozov, Vladimir A.; Stefanovich, Sergey Yu.; Grebenev, Vadim V.; Belik, Alexei A.; Lazoryak, Bogdan I.; Deyneko, Dina V. β-Ca3(PO4)2-related structure and dielectric properties of Ca8CdLa(PO4)7 CrystEngComm, 2026, 28, 143-151 |
| 7251437 | CIF | C14 H8 N2 O8 | P -1 | 5.074; 5.261; 12.385 90.1; 97.94; 95.82 | 325.71 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251438 | CIF | C18.33 H19.09 Mn N3.44 O10.94 | C 1 2/c 1 | 31.934; 4.75; 29.072 90; 99.72; 90 | 4346.5 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251439 | CIF | C20 H20 Ca N4 O10 | P 1 21/c 1 | 13.425; 17.687; 9.629 90; 91.03; 90 | 2286 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251440 | CIF | C16 H14 N2 O9 | C 1 2 1 | 20.7529; 5.6389; 16.0661 90; 118.704; 90 | 1649.07 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251441 | CIF | C18 H16 N2 O8 | P -1 | 5.7316; 6.1988; 12.473 85.726; 80.66; 81.607 | 432.01 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251442 | CIF | C18.45 H19.38 N3.48 O10.98 Zn | C 1 2/c 1 | 32.04; 4.74; 29.17 90; 99.52; 90 | 4369 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251443 | CIF | C38 H34 Co2 N6 O18 | P 1 21 1 | 8.635; 20.581; 12.07 90; 101.8; 90 | 2099.7 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251444 | CIF | C20 H20 Mn N4 O10 | P -1 | 9.88; 10.14; 13.57 84.31; 71.44; 63.63 | 1153.2 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251445 | CIF | C20 H20 Co N4 O10 | P -1 | 9.6362; 10.1021; 13.5166 84.244; 71.817; 63.4 | 1116.56 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251446 | CIF | C17 H13 Cd N3 O9 | P 21 21 21 | 4.79; 15.013; 25.31 90; 90; 90 | 1820.1 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251447 | CIF | C20 H20 Cd N4 O10 | P -1 | 4.973; 9.0826; 12.8166 91.128; 92.195; 94.386 | 576.63 | Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm, 2026, 28, 736-747 |
| 7251448 | CIF | C208 H258 Ag6 N16 O28 S16 Ti6 | P -1 | 21.765; 21.8911; 26.7368 70.548; 77.185; 87.923 | 11702.9 | Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction CrystEngComm, 2026, 28, 806-811 |
| 7251449 | CIF | C76 H104 N4 O12 S4 Ti2 | P 1 21/n 1 | 12.8614; 13.3481; 23.7581 90; 91.259; 90 | 4077.7 | Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction CrystEngComm, 2026, 28, 806-811 |
| 7251456 | CIF | C73 H76 Br2 O10 | C 1 c 1 | 11.3658; 25.1078; 22.8023 90; 104.364; 90 | 6303.7 | Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm, 2026, 28, 1331-1338 |
| 7251457 | CIF | C71 H72 Br2 O10 | C 1 2/c 1 | 11.1392; 25.2833; 22.6009 90; 103.461; 90 | 6190.4 | Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm, 2026, 28, 1331-1338 |
| 7251458 | CIF | C106 H128 Br4 O12 | C 1 2/c 1 | 39.404; 10.6754; 24.3659 90; 107.392; 90 | 9781 | Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm, 2026, 28, 1331-1338 |
| 7251459 | CIF | C102 H120 Br4 O12 | C 1 2/c 1 | 38.7491; 10.4816; 23.9295 90; 107.054; 90 | 9291.7 | Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm, 2026, 28, 1331-1338 |
| 7251460 | CIF | C22 H34 Cl2 N4 O | P 1 21/c 1 | 7.3871; 17.4215; 18.6866 90; 100.156; 90 | 2367.18 | Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm, 2026, 28, 990-999 |
| 7251461 | CIF | C36 H40 N4 O4 | P -1 | 10.9536; 12.2674; 12.3465 92.853; 98.138; 105.889 | 1572.7 | Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm, 2026, 28, 990-999 |
| 7251462 | CIF | C30 H36 N4 O4 | P n n a | 9.4959; 17.181; 23.879 90; 90; 90 | 3895.8 | Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm, 2026, 28, 990-999 |
| 7251463 | CIF | C74 H80 N8 O8 | P b c n | 30.0803; 26.6383; 26.8475 90; 90; 90 | 21512.6 | Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm, 2026, 28, 990-999 |
| 7251464 | CIF | C101 H100 N8 O16 | I 41/a :2 | 22.70732; 22.70732; 17.5665 90; 90; 90 | 9057.68 | Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm, 2026, 28, 990-999 |
| 7251474 | CIF | C6 H4 Ag2 N4 O6 S | I 1 2/a 1 | 7.201; 9.608; 15.507 90; 103.18; 90 | 1044.6 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251475 | CIF | C20 H14 Ag Cl N4 O5 Se2 | P -1 | 3.814; 10.3541; 14.2499 92.62; 95.335; 94.139 | 558.06 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251476 | CIF | C28 H22 Ag2 F12 N10 Sb2 Se4 | P 1 21/c 1 | 12.2862; 10.8853; 15.1578 90; 100.846; 90 | 1990.98 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251477 | CIF | C44 H30 Ag2 Cl2 N10 O8 S4 | P -1 | 7.4983; 9.4191; 16.203 91.584; 90.423; 104.261 | 1108.6 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251478 | CIF | C16 H16 Ag Cl N4 O4 Se2 | P -1 | 7.4239; 13.407; 20.291 107.42; 98.47; 93.08 | 1895.7 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251479 | CIF | C6 H4 Ag2 N4 O6 Se | I 1 2/a 1 | 7.1843; 9.6347; 15.7023 90; 102.367; 90 | 1061.67 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251480 | CIF | C10 H6 Ag N3 O3 Se | P 1 2/n 1 | 6.88; 12.017; 6.963 90; 117.27; 90 | 511.7 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251481 | CIF | C14 H11 Ag B F4 N5 Se2 | P -1 | 7.8775; 10.6277; 12.0636 68.86; 88.968; 69.456 | 875.25 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251482 | CIF | C12 H10 Ag B F4 N4 O S2 | P 1 21 1 | 6.9919; 11.3238; 10.4854 90; 106.456; 90 | 796.17 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251483 | CIF | C14 H12 Ag N5 O3 Se2 | P -1 | 7.3648; 9.9357; 11.3068 96.414; 91.408; 104.754 | 793.87 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251484 | CIF | C30 H18 Ag3 N9 O9 S3 | P 1 21/c 1 | 6.7953; 35.947; 13.5656 90; 101.474; 90 | 3247.5 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251485 | CIF | C8 H10 Ag N3 O4 Se | P b c a | 13.3558; 7.1039; 23.5974 90; 90; 90 | 2238.88 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251486 | CIF | C16 H16 Ag N5 O3 Se2 | P 1 21/n 1 | 7.0765; 14.922; 17.437 90; 98.577; 90 | 1820.7 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251487 | CIF | C28 H24 Ag2 N10 O6 Se4 | P 1 21/c 1 | 7.456; 21.169; 11.074 90; 109.36; 90 | 1649 | Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm, 2026, 28, 1206-1214 |
| 7251488 | CIF | C17 H21 N3 O S | P 1 21/n 1 | 12.7047; 8.0199; 16.4944 90; 105.648; 90 | 1618.33 | Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR. CrystEngComm, 2026, 28, 1339-1350 |
| 7251489 | CIF | C17 H21 N3 O S | C 1 c 1 | 13.9971; 16.3389; 7.7318 90; 114.482; 90 | 1609.26 | Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR. CrystEngComm, 2026, 28, 1339-1350 |
| 7251490 | CIF | C17 H21 N3 O S | P 21 21 21 | 7.325; 12.993; 16.832 90; 90; 90 | 1602 | Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR. CrystEngComm, 2026, 28, 1339-1350 |
| 7251491 | CIF | C12 H11 N9 O4 Zn2 | I 4/m | 12.8268; 12.8268; 25.8853 90; 90; 90 | 4258.8 | Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation CrystEngComm, 2026, 28, 1485-1488 |
| 7251492 | CIF | C8 H18 O13 Pb Re2 | P 1 21/c 1 | 7.9684; 28.1002; 7.9792 90; 100.755; 90 | 1755.27 | Charkin, Dmitri; Grishaev, Vasili; Kireev, Vadim; Volkov, Sergey; Arsent'ev, Maxim; Vorobiev, Stepan; Gosteva, Alevtina; Kompanchenko, Alena; Khasanov, Kirill; Krzhizhanovskaya, Maria; Aksenov, Sergey; Petříček, Václav The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D space CrystEngComm, 2026, 28, 1000-1007 |
| 7251493 | CIF | C13 H21 N2 O6 | P -1 | 7.8703; 9.391; 11.0106 72.161; 78.64; 84.085 | 758.69 | Zhang, Jing; Feng, Yi; Cao, Yun-Dong; Fan, Lin-Lin; Lv, Cai-Li; Cheng, Lei; Gao, Guang-Gang; Liu, Hong Solvated pyromellitic acid-modified separator for stable lithium metal anodes and high-performance Li–S batteries CrystEngComm, 2026, 28, 1135-1146 |
| 7251494 | CIF | C10 H11 F2 N O | P 21 21 21 | 5.1128; 6.7751; 27.331 90; 90; 90 | 946.7 | Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm, 2026, 28, 1494-1507 |
| 7251495 | CIF | C10 H11 F2 N O | P -1 | 5.1799; 9.618; 10.442 81.822; 80.772; 74.442 | 492 | Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm, 2026, 28, 1494-1507 |
| 7251496 | CIF | C10 H11 F2 N O | P c a 21 | 12.0624; 9.4612; 8.6588 90; 90; 90 | 988.18 | Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm, 2026, 28, 1494-1507 |
| 7251497 | CIF | C20 H22 F4 N2 O2 | P 1 21/n 1 | 9.51; 11.0959; 19.198 90; 102.991; 90 | 1974 | Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm, 2026, 28, 1494-1507 |
| 7251498 | CIF | C8 H13 N O6 S | P 21 21 21 | 6.8391; 11.2218; 13.7253 90; 90; 90 | 1053.38 | García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm, 2026, 28, 951-961 |
| 7251499 | CIF | C22 H34 Cl2 Cu N6 O8 | P -1 | 8.1875; 8.7569; 9.8704 94.856; 103.393; 103.024 | 663.7 | García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm, 2026, 28, 951-961 |
| 7251500 | CIF | C7.33 H11.33 Cl0.67 N2 O2.33 | C 1 2/c 1 | 51.723; 7.3982; 13.4262 90; 97.297; 90 | 5096 | García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm, 2026, 28, 951-961 |
| 7251501 | CIF | C12 H17 N3 O6 | P -1 | 7.0597; 8.8765; 11.2263 89.195; 88.506; 68.574 | 654.65 | García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm, 2026, 28, 951-961 |
| 7251502 | CIF | C10 H10 Br2 Cl5 I2 N2 Sb | P 1 21/n 1 | 14.9208; 7.0913; 20.9159 90; 97.395; 90 | 2194.66 | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm, 2026, 28, 1197-1205 |
| 7251503 | CIF | C10 H10 Cl7 I2 N2 Sb | P 1 21/n 1 | 14.5435; 7.1608; 20.82 90; 96.131; 90 | 2155.86 | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm, 2026, 28, 1197-1205 |
| 7251504 | CIF | C10 H10 Bi Br2 Cl5 I2 N2 | P 1 21/n 1 | 14.89; 7.1531; 20.9598 90; 98.109; 90 | 2210.1 | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm, 2026, 28, 1197-1205 |
| 7251505 | CIF | C10 H10 Bi Cl7 I2 N2 | P 1 21/n 1 | 14.5781; 7.2057; 20.8721 90; 97.312; 90 | 2174.69 | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm, 2026, 28, 1197-1205 |
| 7251506 | CIF | C19 H21 Cd2 Cl4 N5 O | P 1 21/n 1 | 14.665; 10.8323; 15.619 90; 105.691; 90 | 2388.7 | Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm, 2026, 28, 748-761 |
| 7251507 | CIF | C30 H24 Cd3 Cl6 N8 | P 1 21/c 1 | 10.201; 9.3121; 18.5118 90; 98.526; 90 | 1739.05 | Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm, 2026, 28, 748-761 |
| 7251508 | CIF | C19 H21 Cd N7 O7 | P 1 21/c 1 | 27.4056; 10.3739; 16.0893 90; 93.455; 90 | 4565.9 | Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm, 2026, 28, 748-761 |
| 7251509 | CIF | C18 H19 Cd N7 O7 | P b c a | 10.3394; 15.8855; 27.2314 90; 90; 90 | 4472.66 | Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm, 2026, 28, 748-761 |
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