Crystallography Open Database
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COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 7054164 | CIF | C Fe N2 | P 63/m m c | 3.2689; 3.2689; 9.4008 90; 90; 120 | 86.996 | Herlitschke, M.; Tchougréeff, A. L.; Soudackov, A. V.; Klobes, B.; Stork, L.; Dronskowski, R.; Hermann, R. P. Magnetism and lattice dynamics of FeNCN compared to FeO New J. Chem., 2014, 38, 4670 |
| 7061268 | CIF | Cu H2 O5 S | P -1 | 5.0281; 5.1502; 7.5607 108.592; 108.382; 91.359 | 174.41 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 1008258 | CIF | Co La O4 Sr | I 4/m m m | 3.796; 3.796; 12.447 90; 90; 90 | 179.4 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008259 | CIF | Co La O4 Sr | I 4/m m m | 3.799; 3.799; 12.454 90; 90; 90 | 179.7 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008260 | CIF | Co La O4 Sr | I 4/m m m | 3.806; 3.806; 12.5 90; 90; 90 | 181.1 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008261 | CIF | Co La O4 Sr | I 4/m m m | 3.807; 3.807; 12.52 90; 90; 90 | 181.5 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008262 | CIF | Co La O4 Sr | I 4/m m m | 3.811; 3.811; 12.554 90; 90; 90 | 182.3 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008263 | CIF | Co La O4 Sr | I 4/m m m | 3.817; 3.817; 12.6 90; 90; 90 | 183.6 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 1008264 | CIF | Co La O4 Sr | I 4/m m m | 3.824; 3.824; 12.659 90; 90; 90 | 185.1 | Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent Nouveau Journal de Chimie, 1979, 3, 171-174 |
| 7058489 | CIF | Bi Na2 S4 Sb | F m -3 m | 5.7603; 5.7603; 5.7603 90; 90; 90 | 191.13 | Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy New Journal of Chemistry, 2019, 43, 10814 |
| 7052608 | CIF | C2 H2 Br Cu N | P -1 | 3.9006; 6.928; 7.7307 107.693; 99.426; 94.527 | 194.49 | Pospisil, Jiri; Jess, Inke; Näther, Christian; Necas, Marek; Taborsky, Petr Luminescence properties of “double-stranded staircase” copper(i) halide coordination polymers with N-containing ligands New Journal of Chemistry, 2011, 35, 861 |
| 7054719 | CIF | C4 H4 O2 | P 1 21 1 | 3.8248; 7.0987; 7.7801 90; 101.058; 90 | 207.32 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054714 | CIF | C4 H4 O2 | P -1 | 5.0156; 6.9262; 7.0836 112.956; 97.227; 107.388 | 207.85 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054720 | CIF | C4 H4 O2 | P 1 21 1 | 3.8518; 7.0956; 7.7924 90; 100.862; 90 | 209.16 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7062967 | CIF | B4 H16 Hf | P -4 3 m | 5.946; 5.946; 5.946 90; 90; 90 | 210.2 | Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures New Journal of Chemistry, 2024, 48, 2743-2754 |
| 7054715 | CIF | C4 H4 O2 | P -1 | 5.0359; 6.9758; 7.1152 112.963; 97.033; 107.706 | 210.8 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7062966 | CIF | B4 H16 Zr | P -4 3 m | 5.955; 5.955; 5.955 90; 90; 90 | 211.2 | Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures New Journal of Chemistry, 2024, 48, 2743-2754 |
| 7058490 | CIF | Bi Na2 Sb Se4 | F m -3 m | 5.9648; 5.9648; 5.9648 90; 90; 90 | 212.22 | Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy New Journal of Chemistry, 2019, 43, 10814 |
| 7054721 | CIF | C4 H4 O2 | P 1 21 1 | 3.8856; 7.1138; 7.8353 90; 100.93; 90 | 212.65 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054716 | CIF | C4 H4 O2 | P -1 | 5.058; 7.0169; 7.1325 112.92; 96.962; 108.002 | 213.14 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054722 | CIF | C4 H4 O2 | P 1 21 1 | 3.8912; 7.1141; 7.8453 90; 100.8; 90 | 213.33 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054723 | CIF | C4 H4 O2 | P 1 21 1 | 3.9127; 7.1074; 7.8489 90; 100.422; 90 | 214.67 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054717 | CIF | C4 H4 O2 | P -1 | 5.0673; 7.0638; 7.163 113.064; 96.689; 108.347 | 215.3 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054718 | CIF | C4 H4 O2 | P 1 21 1 | 3.9158; 7.1104; 7.871 90; 100.59; 90 | 215.42 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054724 | CIF | C4 H4 O2 | P 1 21 1 | 3.9417; 7.1096; 7.878 90; 100.25; 90 | 217.25 | Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K. Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs? New J. Chem., 2015, 39, 3345 |
| 7054634 | CIF | Dy0.5 Mn O3 Yb0.5 | P n m a | 5.8352; 7.3473; 5.2561 90; 90; 90 | 225.34 | Zhang, Yingnan; Liu, Fuyang; Zheng, Tong; Zhang, Ziqing; Liu, Wei; Zhao, Xudong; Liu, Xiaoyang Synthesis of perovskite-type manganites Yb1−xDyxMnO3(0.1 ≤ x ≤ 0.5) via solid-state reaction and high-pressure flux methods followed by structural characterization and magnetic property studies New J. Chem., 2015, 39, 2596 |
| 7051493 | CIF | C H6 N2 O2 S | P -1 | 5.427; 5.828; 7.649 91.97; 95.84; 107.41 | 229.1 | Structure and Vibrational Spectroscopy of Methanesulfonic Acid Hydrazide: an Experimental and Theoretical Study New Journal of Chemistry, 1999 |
| 7058714 | CIF | Co2 Li3 O6 Sb | C 1 2/m 1 | 5.24111; 9.0391; 5.18179 90; 110.049; 90 | 230.61 | Stratan, Mikhail I.; Shukaev, Igor L.; Vasilchikova, Tatyana M.; Vasiliev, Alexander N.; Korshunov, Artem N.; Kurbakov, Alexander I.; Nalbandyan, Vladimir B.; Zvereva, Elena A. Synthesis, structure and magnetic properties of honeycomb-layered Li3Co2SbO6 with new data on its sodium precursor, Na3Co2SbO6 New Journal of Chemistry, 2019, 43, 13545 |
| 7060604 | CIF | C4 H10 N10 O2 | P 1 | 3.7934; 7.4317; 8.7328 105.198; 100.874; 92.381 | 232.24 | Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density New Journal of Chemistry, 2021, 45, 9358-9367 |
| 7057771 | CIF | Ba Cl Cu H3 O3 | P 1 21/m 1 | 4.1335; 6.674; 9.1613 90; 100.43; 90 | 248.56 | Wang, Ming-Qing; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao BaCu(OH)3Cl: a new one-dimensional Mott insulator with a CuO2 chessboard layer New Journal of Chemistry, 2018, 42, 18077 |
| 7058491 | CIF | Bi Na2 Sb Te4 | F m -3 m | 6.3315; 6.3315; 6.3315 90; 90; 90 | 253.82 | Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy New Journal of Chemistry, 2019, 43, 10814 |
| 7060620 | CIF | C4 H6 N4 | P 1 21 1 | 4.9091; 6.622; 8.103 90; 99.75; 90 | 259.61 | Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles New Journal of Chemistry, 2021, 45, 11042-11050 |
| 7061627 | CIF | C32 Cl0.29 O24 | P m -3 m | 6.3959; 6.3959; 6.3959 90; 90; 90 | 261.64 | You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties New Journal of Chemistry, 2022, 46, 14404-14409 |
| 7050838 | CIF | C2 H5 O4 P Zn | P m n 21 | 5.6805; 9.8101; 4.7988 90; 90; 90 | 267.419 | Menaa, Bouzid; Kariuki, Benson M.; Shannon, Ian J. Preparation using metal oxide precursors and crystal structures of the copper and zinc vinylphosphonate materials M(O3PC2H3)·H2O (M = Cu, Zn)Electronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/nj/b2/b200438k/ New Journal of Chemistry, 2002, 26, 906 |
| 7061269 | CIF | Cu O4 S | P n m a | 8.3958; 6.676; 4.827 90; 90; 90 | 270.56 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 7050634 | CIF | C6 H4 F4 I2 N2 | P -1 | 6.2536; 6.4403; 7.5067 106.843; 107.535; 93.925 | 271.87 | Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br) New Journal of Chemistry, 2003, 27, 1522 |
| 7062019 | CIF | Na Sc Se2 | R -3 m :H | 3.9191; 3.9191; 20.708 90; 90; 120 | 275.45 | Panigrahi, Gopabandhu; Yadav, Sweta; Jana, Subhendu; Ghosh, Arghya; Niranjan, Manish K.; Prakash, Jai Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te) New Journal of Chemistry, 2022, 46, 22076-22087 |
| 7061628 | CIF | C14 O4 Re | P -4 2 m | 6.8907; 6.8907; 5.8523 90; 90; 90 | 277.88 | You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties New Journal of Chemistry, 2022, 46, 14404-14409 |
| 7052848 | CIF | C7 H6 N2 | P 1 21 1 | 7.4285; 5.748; 7.6305 90; 118.462; 90 | 286.43 | González, J. J. L.; Ureña, F. P.; Moreno, J. R. A.; Mata, I.; Molins, E.; Claramunt, R. M.; López, C.; Alkorta, I.; Elguero, J. The chiral structure of 1H-indazoles in the solid state: a crystallographic, vibrational circular dichroism and computational study New Journal of Chemistry, 2012, 36, 749 |
| 7051298 | CIF | C6 H8 N2 | P 1 21/n 1 | 5.7021; 5.048; 10.664 90; 104.549; 90 | 297.12 | New Journal of Chemistry, 2000 |
| 7060341 | CIF | C4 H10 N12 O6 | P -1 | 6.672; 6.9096; 6.992 73.521; 89.005; 75.832 | 299.22 | Zhu, Jiaping; Xu, Jielai; Yao, Chaojian; Zhan, Tong; Liu, Weibing; Tan, Hua A new 3D Ag(i)-based high-energy metal organic frameworks (HE-MOFs): synthesis, crystal structure and explosive performance New Journal of Chemistry, 2021, 45, 3552-3558 |
| 7058776 | CIF | C3 H6 F2 N2 O3 | P -1 | 5.5333; 6.1726; 9.2437 91.249; 106.658; 92.337 | 302.03 | Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts New Journal of Chemistry, 2019, 43, 15115 |
| 7057578 | CIF | C14 H10 O10 | P -1 | 4.60137; 7.6252; 9.3955 101.958; 96.9215; 103.461 | 308.669 | Tokutomi, Hisashi; Wu, JianYun; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Phase transition and molecular assembly structure of ellagic acid ester derivatives New Journal of Chemistry, 2018, 42, 14700 |
| 7061653 | CIF | C4 H4 N4 O4 | P -1 | 5.0887; 7.8054; 7.906 89.639; 80.847; 89.131 | 309.98 | Zhang, Qi; He, Chunlin; Pang, Siping Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation New Journal of Chemistry, 2022, 46, 14324-14327 |
| 7056611 | CIF | C6 H4 F2 N4 O12 | P -1 | 6.1749; 6.3972; 9.0143 78.006; 80.204; 63.912 | 311.56 | Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges New J. Chem., 2017 |
| 7053549 | CIF | C14 H15 N O5 | P 1 | 5.3583; 5.8497; 10.4352 88.144; 75.461; 82.331 | 313.78 | Leong, Wei Lee; Vittal, Jagadese J. Alkali metal ion directed self-assembled Ni(ii) molecular clusters New Journal of Chemistry, 2010, 34, 2145 |
| 7051495 | CIF | C5 H5 Cl2 N | P 1 21/m 1 | 4.5137; 7.925; 8.898 90; 99.173; 90 | 314.24 | Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides New Journal of Chemistry, 1999 |
| 7052662 | CIF | C8 H22 N4 O4 | P -1 | 5.1642; 7.4945; 8.4337 94.823; 96.022; 101.486 | 316.26 | Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M. Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes New Journal of Chemistry, 2011, 35, 1515 |
| 7052009 | CIF | C6 H8 N2 O2 | P -1 | 3.9193; 5.754; 14.366 100.027; 96.109; 92.374 | 316.6 | Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The observed and energetically feasible crystal structures of 5-substituted uracils New Journal of Chemistry, 2008, 32, 1761 |
| 7052257 | CIF | C7 H5 Cl O2 | P -1 | 14.21; 6.072; 3.747 87.68; 100.32; 93 | 317.48 | Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman Temperature dependence of proton transfer in 4-chlorobenzoic acid New Journal of Chemistry, 2006, 30, 979 |
| 7056343 | CIF | C3 H4 Li N7 O | P -1 | 3.4344; 9.898; 10.611 115.93; 92.17; 98.473 | 318.72 | Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings New J. Chem., 2017 |
| 7052258 | CIF | C7 H5 Cl O2 | P -1 | 14.22; 6.087; 3.766 87.91; 100.22; 92.97 | 320.25 | Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman Temperature dependence of proton transfer in 4-chlorobenzoic acid New Journal of Chemistry, 2006, 30, 979 |
| 7059681 | CIF | C4 H6 Ni O6 | P 1 21/n 1 | 5.1225; 7.518; 8.6621 90; 105.242; 90 | 321.85 | Nakane, Tomohiro; Aoyagi, Shinobu; Fujita, Wataru Magnetic and thermal studies of a coordination polymer: bis(glycolato)nickel(ii) New Journal of Chemistry, 2020, 44, 10519-10524 |
| 7052259 | CIF | C7 H5 Cl O2 | P -1 | 14.209; 6.12; 3.794 88.31; 100.19; 93.03 | 324.2 | Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman Temperature dependence of proton transfer in 4-chlorobenzoic acid New Journal of Chemistry, 2006, 30, 979 |
| 7057774 | CIF | C12 H12 Cu N2 O6 | P -1 | 5.114; 7.55; 9.106 75.934; 85.21; 72.06 | 324.5 | Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S. Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand New Journal of Chemistry, 2018, 42, 17185 |
| 7050552 | CIF | C4 H10 N4 O2 | P 1 21/n 1 | 4.8552; 5.1714; 13.2126 90; 100.205; 90 | 326.5 | Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen Hydrogen bond patterns in aromatic and aliphatic dioximes New J. Chem., 2003, 27, 1084-1094 |
| 7052256 | CIF | C7 H5 Cl O2 | P -1 | 14.368; 6.132; 3.778 87.46; 100.5; 92.94 | 326.6 | Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman Temperature dependence of proton transfer in 4-chlorobenzoic acid New Journal of Chemistry, 2006, 30, 979 |
| 7059680 | CIF | C4 H6 Ni O6 | P 1 21/n 1 | 5.1389; 7.65; 8.618 90; 105.413; 90 | 326.61 | Nakane, Tomohiro; Aoyagi, Shinobu; Fujita, Wataru Magnetic and thermal studies of a coordination polymer: bis(glycolato)nickel(ii) New Journal of Chemistry, 2020, 44, 10519-10524 |
| 7052260 | CIF | C7 H5 Cl O2 | P -1 | 14.272; 6.141; 3.813 88.53; 100.11; 93.18 | 328.4 | Wilson, Chick C.; Xu, Xuelian; Florence, Alastair J.; Shankland, Norman Temperature dependence of proton transfer in 4-chlorobenzoic acid New Journal of Chemistry, 2006, 30, 979 |
| 7062826 | CIF | C15 H20 O4 | P 1 | 7.0181; 7.1477; 7.1912 73.654; 72.829; 83.609 | 330.57 | Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies New Journal of Chemistry, 2023, 47, 20890-20899 |
| 7060272 | CIF | C3 H6 N4 O4 | P 1 21/m 1 | 5.7481; 5.842; 9.9504 90; 91.39; 90 | 334.04 | Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin Methyl sydnone imine and its energetic salts New Journal of Chemistry, 2021, 45, 2228-2236 |
| 7058330 | CIF | C16 H8 F4 O2 | P -1 | 6.6927; 7.6784; 7.7214 106.506; 105.114; 107.889 | 334.68 | Sharada, Durgam; Saha, Arijit; Saha, Binoy K. Charge transfer complexes as colour changing and disappearing‒reappearing colour materials New Journal of Chemistry, 2019, 43, 7562 |
| 7059362 | CIF | Cs0.36 F7 K2.64 Si | P 4/m b m | 7.768; 7.768; 5.56 90; 90; 90 | 335.5 | Huang, Shuzhao; Gao, Le; Yu, Feng K2.64Cs0.36SiF7: a new fluorosilicate with a trans-perovskite structure New Journal of Chemistry, 2020, 44, 2727-2732 |
| 7055713 | CIF | B Gd3 O3 S3 | P -1 | 3.9725; 7.5945; 11.1824 91.402; 91.093; 90.206 | 337.2 | Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd) New J. Chem., 2016, 40, 6720 |
| 7051359 | CIF | C10 H24 N4 O4 | P -1 | 7.559; 4.997; 10.293 116.96; 91.55; 100.31 | 338.3 | Laurent Frémond; Enrique Espinosa; Michel Meyer; Franck Denat; Roger Guilard; Volker Huch; Michael Veith Synthesis, characterization and X-ray crystal structures of cyclam derivatives. Part IV. 1,4,8,11-Tetraazacyclotetradecane-5,12-dione and its diprotonated forms New J. Chem., 2000, 24, 959-966 |
| 7058317 | CIF | C14 H20 N2 O2 | P -1 | 5.0286; 7.66; 9.751 105.952; 95.479; 106.19 | 340.7 | Teotia, Meenu; Tarannum, Nazia; Chauhan, Mohit; Soni, Rakesh Kumar Structure-based rational design, synthesis, crystal structure, DFT and molecular docking of 1,4-benzene dicarboxamide isomers with application as hardeners New Journal of Chemistry, 2019, 43, 7972 |
| 7056954 | CIF | C12 H8 F4 N2 O6 Zn | P -1 | 6.5421; 6.9212; 8.7493 97.521; 101.906; 114.749 | 341.35 | Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study New Journal of Chemistry, 2018 |
| 7051496 | CIF | C5 H5 Br2 N | P 1 21/m 1 | 4.4705; 8.253; 9.398 90; 98.945; 90 | 342.49 | Freytag, Matthias; Jones, Peter G.; Ahrens, Birte; Fischer, Axel Hydrogen bonding and halogen...halogen contacts in 4-halopyridinium halides New Journal of Chemistry, 1999 |
| 7059402 | CIF | Li Mg O P | P 1 21/m 1 | 4.5941; 8.419; 8.95 90; 98.307; 90 | 342.53 | Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges New Journal of Chemistry, 2020, 44, 6771-6777 |
| 7062548 | CIF | Bi0.75 O1.75 V0.25 | P -1 | 5.7337; 7.1029; 9.298 80.334; 78.576; 68.557 | 343.58 | Shvanskaya, Larisa; Krikunova, Polina; Nikolaeva, Irina; Lyssenko, Konstantin; Pokryshkin, Nikolay; Timoshenko, Victor Novel bismuth oxosalts, β-Bi3O3(VO4) and KBi5O5(PO4)2: synthesis and effect of hydrothermal pressure on the crystal structure New Journal of Chemistry, 2023, 47, 13911-13917 |
| 7055970 | CIF | C6 H8 N10 O10 | P -1 | 6.7135; 6.7702; 8.1378 80.267; 76.307; 74.335 | 343.82 | Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials New J. Chem., 2017, 41, 1918 |
| 7058318 | CIF | C14 H18 N2 O2 | P -1 | 5.0619; 5.1565; 13.593 100.634; 96.239; 95.839 | 343.94 | Teotia, Meenu; Tarannum, Nazia; Chauhan, Mohit; Soni, Rakesh Kumar Structure-based rational design, synthesis, crystal structure, DFT and molecular docking of 1,4-benzene dicarboxamide isomers with application as hardeners New Journal of Chemistry, 2019, 43, 7972 |
| 7055443 | CIF | Al4.68 B8 La2 O22 | P -6 2 m | 4.6149; 4.6149; 18.72 90; 90; 120 | 345.27 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge New J. Chem., 2016, 40, 4870 |
| 7059604 | CIF | C3 H3 N7 O3 | P -1 | 5.1255; 7.7153; 9.3101 99.722; 96.581; 103.924 | 347.55 | Yang, Rui; Dong, Zhen; Ye, Zhiwen Exploration of low-melting energetic compounds: influence of substituents on melting points New Journal of Chemistry, 2020, 44, 13576-13583 |
| 7062020 | CIF | Na Sc Te2 | R -3 m :H | 4.2217; 4.2217; 22.5344 90; 90; 120 | 347.82 | Panigrahi, Gopabandhu; Yadav, Sweta; Jana, Subhendu; Ghosh, Arghya; Niranjan, Manish K.; Prakash, Jai Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te) New Journal of Chemistry, 2022, 46, 22076-22087 |
| 7062526 | CIF | Ba O17 U4 | P -1 | 4.232; 8.199; 10.649 87.4; 78.53; 75.01 | 349.79 | Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Plášil, Jakub; Karatchevtseva, Inna; Zheng, Rongkun Investigation of uranium oxide hydrates with barium(ii) ions: structural diversity, uranium valences and implications New Journal of Chemistry, 2023, 47, 13286-13296 |
| 7055094 | CIF | F2 Mg5 O8 Si2 | P 1 21/c 1 | 7.774; 4.6585; 10.254 90; 109.516; 90 | 350.02 | Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2 New J. Chem., 2015, 39, 8866 |
| 7052012 | CIF | C5 H6 F N3 O3 | P 1 21/m 1 | 6.827; 6.111; 8.424 90; 90.313; 90 | 351.4 | Barnett, Sarah A.; Hulme, Ashley T.; Issa, Nizar; Lewis, Thomas C.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The observed and energetically feasible crystal structures of 5-substituted uracils New Journal of Chemistry, 2008, 32, 1761 |
| 7051677 | CIF | C4 H16 N16 O4 | P -1 | 4.563; 7.362; 11.334 105.125; 90.933; 102.871 | 357.19 | Klapötke, Thomas M.; Sabaté, Carles Miró New energetic compounds based on the nitrogen-rich 5,5′-azotetrazolate anion ([C2N10]2−) New Journal of Chemistry, 2009, 33, 1605 |
| 7057339 | CIF | H16 N4 Ni O16 Pt | P 1 | 5.9377; 7.7854; 8.7147 110.031; 104.303; 96.242 | 358.39 | Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V. Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides New Journal of Chemistry, 2018, 42, 8843 |
| 7061270 | CIF | Cu H10 O9 S | P -1 | 5.9676; 6.0957; 10.6366 77.224; 82.387; 72.434 | 358.85 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 7057340 | CIF | Co H16 N4 O16 Pt | P 1 | 5.9125; 7.8201; 8.7149 110.076; 103.908; 96.272 | 359.15 | Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V. Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides New Journal of Chemistry, 2018, 42, 8843 |
| 7050579 | CIF | B2 H4 O4 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.37 | Baber, R. Angharad; Norman, Nicholas C.; Orpen, A. Guy; Rossi, Jean The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 773 |
| 9016429 | CIF | B H2 O2 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.371 | Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J. The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 772-775 |
| 7058327 | CIF | C16 H14 F4 O2 | P -1 | 6.6907; 6.9985; 8.7933 110.856; 105.889; 96.533 | 359.7 | Sharada, Durgam; Saha, Arijit; Saha, Binoy K. Charge transfer complexes as colour changing and disappearing‒reappearing colour materials New Journal of Chemistry, 2019, 43, 7562 |
| 7061910 | CIF | C5 H4 Br N3 O2 | P 1 21 1 | 4.26356; 5.3334; 15.8471 90; 93.394; 90 | 359.72 | Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour New Journal of Chemistry, 2022, 46, 18824-18831 |
| 7057341 | CIF | H16 N4 Ni O16 Pd | P 1 | 5.9834; 7.8788; 8.6406 110.211; 105.344; 95.988 | 359.9 | Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V. Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides New Journal of Chemistry, 2018, 42, 8843 |
| 7051360 | CIF | C10 H22 Br2 N4 O2 | P -1 | 5.2851; 8.0718; 9.5424 109.126; 104.189; 97.989 | 362.03 | Laurent Frémond; Enrique Espinosa; Michel Meyer; Franck Denat; Roger Guilard; Volker Huch; Michael Veith Synthesis, characterization and X-ray crystal structures of cyclam derivatives. Part IV. 1,4,8,11-Tetraazacyclotetradecane-5,12-dione and its diprotonated forms New J. Chem., 2000, 24, 959-966 |
| 7060242 | CIF | C4 H17 N5 O12 Zn | P -1 | 7.0956; 7.2718; 7.8386 64.685; 84.284; 86.291 | 363.69 | Lemes, Maykon Alves; do Nascimento Neto, José Antônio; Fernandes Guimarães, Freddy; Maia, Lauro June Queiroz; de Santana, Ricardo Costa; Terra Martins, Felipe Secondary ligands and the intramolecular hydrogen bonds drive photoluminescence quantum yields from aminopyrazine coordination polymers New Journal of Chemistry, 2020, 44, 20259-20266 |
| 7050422 | CIF | C10 H5 F | P 1 21/c 1 | 3.878; 5.947; 15.8 90; 93.46; 90 | 363.72 | Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B. Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/ New Journal of Chemistry, 2003, 27, 140 |
| 7057342 | CIF | Co H16 N4 O16 Pd | P 1 | 6.0051; 7.8865; 8.6872 110.055; 105.1; 96.203 | 364.18 | Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V. Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides New Journal of Chemistry, 2018, 42, 8843 |
| 7050462 | CIF | C7 H5 N O5 | P -1 | 5.201; 8.8753; 9.2841 62.449; 75.388; 81.657 | 367.47 | Senthil Kumar, V. S.; Nangia, Ashwini; Kirchner, Michael T.; Boese, Roland Supramolecular synthesis of brick wall and honeycomb networks from the T-shaped molecule 5-nitrosalicylic acid New Journal of Chemistry, 2003, 27, 224 |
| 7050423 | CIF | C10 H4 F2 | P 1 21/c 1 | 3.8535; 5.906; 16.221 90; 95.23; 90 | 367.63 | Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B. Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/ New Journal of Chemistry, 2003, 27, 140 |
| 7055524 | CIF | C12 H12 N2 O8 U | P -1 | 5.6911; 7.4024; 9.8667 106.561; 105.897; 99.948 | 368.73 | Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption New J. Chem., 2016, 40, 6077 |
| 7052072 | CIF | C7 H6 B F O3 | P -1 | 7.2136; 7.6191; 8.101 102.96; 106.797; 111.387 | 368.76 | Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles New Journal of Chemistry, 2007, 31, 144 |
| 7061152 | CIF | C5 H7 N3 O4 | P -1 | 4.8238; 7.3029; 11.0533 76.643; 78.988; 87.455 | 371.87 | Zhang, Qi; Zhao, Cheng; Zhang, Xun; He, Chunlin; Pang, Siping Oxidation of o-dioxime by (diacetoxyiodo)benzene: green and mild access to furoxans New Journal of Chemistry, 2022, 46, 1489-1493 |
| 7058294 | CIF | C10 H22 Cu2 N2 O6 | P -1 | 4.6397; 8.8879; 10.1789 114.963; 97.981; 92.26 | 374.6 | Ahamad, M. Naqi; Shahid, M.; Ansari, Azaj; Kumar, Manjeet; Khan, Ishaat M.; Ahmad, Musheer; Rahisuddin, Rahisuddin; Arif, Rizwan A combined experimental and theoretical approach to investigate the structure, magnetic properties and DNA binding affinity of a homodinuclear Cu(ii) complex New Journal of Chemistry, 2019, 43, 7511 |
| 7055885 | CIF | C14 H10 N4 O6 Zn | P -1 | 5.019; 6.4793; 12.6014 91.545; 99.276; 110.23 | 377.97 | Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study New J. Chem., 2017, 41, 735 |
| 7052107 | CIF | C5 H9 N3 O4 | P 1 21/m 1 | 3.696; 18.824; 5.496 90; 94.76; 90 | 381.1 | Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates New Journal of Chemistry, 2007, 31, 287 |
| 7056845 | CIF | C2 H3 N3 O2 | C 1 c 1 | 9.386; 3.5384; 12.154 90; 109.139; 90 | 381.34 | Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon 3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials New Journal of Chemistry, 2018, 42, 1840 |
| 7059794 | CIF | C5 H6 Cu I N2 O | P -1 | 4.1928; 8.2514; 11.4846 84.065; 89.98; 76.69 | 384.47 | Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives New Journal of Chemistry, 2020, 44, 14103-14107 |
| 7062804 | CIF | C9 H7 F N2 O | P -1 | 4.2581; 8.4237; 10.9697 94.118; 98.142; 94.746 | 386.776 | Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes New Journal of Chemistry, 2023, 47, 20642-20652 |
| 7051608 | CIF | C14 H4 N6 S4 | P -1 | 6.0656; 7.8452; 8.6868 86.475; 75.29; 75.507 | 387.1 | Rosokha, Sergiy V.; Lu, Jianjiang; Han, Bing; Kochi, Jay K. Unusual structural effects of intermolecular π-bonding in the tetracyanopyrazine (ion-radical) dimer New Journal of Chemistry, 2009, 33, 545 |
| 7051805 | CIF | C3 H5 N7 O5 | P 1 21 1 | 7.6156; 4.9837; 10.3119 90; 95.53; 90 | 389.55 | Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M. Dense energetic salts of N,N′-dinitrourea (DNU) New Journal of Chemistry, 2008, 32, 317 |
| 7051226 | CIF | C6 O6 Rb2 | C 1 2/m 1 | 12.522; 8.354; 3.761 90; 96.93; 90 | 390.6 | Braga, Dario; Cojazzi, Gianna; Maini, Lucia; Grepioni, Fabrizia Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62‒ (aromatic or non-aromatic?) New Journal of Chemistry, 2001, 25, 1221 |
| 7052926 | CIF | C2 H4 N12 | P 1 21/n 1 | 6.485; 5.583; 10.854 90; 90.786; 90 | 392.9 | Li, Fang; Cong, Xiaomin; Du, Zhiming; He, Chunlin; Zhao, Linshuang; Meng, Lingqiao 1,1′-Diamino-5,5′-azotetrazole: a nitrogen rich compound New Journal of Chemistry, 2012, 36, 1953 |
| 7060927 | CIF | Ba Cl N O3 | P n m a | 8.9108; 5.2991; 8.3414 90; 90; 90 | 393.87 | Chen, Zhen; Zeng, Hao; Han, Shujuan; Yang, Zhihua; Pan, Shilie From BaCl2 to Ba(NO3)Cl: significantly enhanced birefringence derived from π-conjugated [NO3] New Journal of Chemistry, 2021, 45, 17544-17550 |
| 7060198 | CIF | C5 H5 B N3 Na O | P -1 | 7.3884; 7.7824; 8.0923 82.094; 71.472; 63.968 | 396.426 | Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik Alkoxycyanoborates: metal salts and low-viscosity ionic liquids New Journal of Chemistry, 2021, 45, 14973-14987 |
| 7051329 | CIF | C4 H14 Br N3 | P -4 21 m | 8.6698; 8.6698; 5.2977 90; 90; 90 | 398.2 | New Journal of Chemistry, 2000 |
| 7050424 | CIF | C10 H2 F4 | P 1 21/a 1 | 5.7642; 11.4632; 6.112 90; 99.27; 90 | 398.58 | Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B. Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/ New Journal of Chemistry, 2003, 27, 140 |
| 7061414 | CIF | C4 H11 N3 O4 | P -1 | 6.3021; 7.696; 9.4542 68.842; 87.792; 70.083 | 400.18 | Liu, Tingting; Lan, Youshi; Liu, Qian; Ma, Fuqiu; Xue, Yun; Yang, Suliang; Tian, Guoxin Complexation of uranyl(vi) with succinimidedioxime in comparison with glutarimidedioxime New Journal of Chemistry, 2022, 46, 8053-8061 |
| 7057546 | CIF | B3 Ba Li O9 Zn3 | P 1 2/c 1 | 6.583; 4.933; 12.34 90; 90.968; 90 | 400.7 | Chen, Yanna; Zhang, Min; Pan, Shilie BaLiZn3(BO3)3: a new member of the KBe2BO3F2 family possessing dense BO3 triangles and the smallest interlayer distance New Journal of Chemistry, 2018, 42, 12365 |
| 7057460 | CIF | C6 H4 B F3 N2 Se | P -1 | 6.2428; 8.2197; 8.6827 98.535; 107.446; 103.743 | 401.12 | Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles New Journal of Chemistry, 2018, 42, 10555 |
| 7056615 | CIF | C12 H10.4 Fe N8 O1.2 Pt | P 1 2/m 1 | 7.2727; 7.4681; 7.4416 90; 95.939; 90 | 402.008 | Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework New J. Chem., 2017 |
| 7056616 | CIF | C12 H10.4 Fe N8 O1.2 Pd | P 1 2/m 1 | 7.28; 7.47; 7.4387 90; 95.88; 90 | 402.4 | Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework New J. Chem., 2017 |
| 7051604 | CIF | C H N5 O2 | P 1 21 1 | 5.3358; 9.4799; 8.319 90; 106.989; 90 | 402.44 | Klapötke, Thomas M.; Sabaté, Carles Miró; Stierstorfer, Jörg Neutral 5-nitrotetrazoles: easy initiation with low pollution New Journal of Chemistry, 2009, 33, 136 |
| 7051153 | CIF | C2 H2 Cl N3 | P c a 21 | 10.849; 3.7618; 9.863 90; 90; 90 | 402.5 | Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose The structure of halogeno-1,2,4-triazoles in the solid state and in solution. New Journal of Chemistry, 2001 |
| 1000191 | CIF | Ag0.5 Cr0.5 P S3 | P 1 2/a 1 | 5.892; 10.632; 6.745 90; 105.88; 90 | 406.4 | Colombet, P; Leblanc, A; Danot, M; Rouxel, J Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~ Nouveau Journal de Chimie, 1983, 7, 333-338 |
| 1000192 | CIF | Ag0.5 Cr0.5 P S3 | P 1 2/a 1 | 5.892; 10.632; 6.745 90; 105.88; 90 | 406.4 | Colombet, P; Leblanc, A; Danot, M; Rouxel, J Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~ Nouveau Journal de Chimie, 1983, 7, 333-338 |
| 7055154 | CIF | C8 H22 N8 Ni O10 | P -1 | 6.881; 7.283; 9.541 105.601; 102.526; 109.834 | 407.4 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7062806 | CIF | C9 H6 Cl F N2 | P -1 | 6.7276; 7.3697; 9.4118 72.213; 73.348; 69.557 | 407.8 | Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes New Journal of Chemistry, 2023, 47, 20642-20652 |
| 7061377 | CIF | C5 H6 N4 O7 | P 1 21 1 | 7.2036; 7.0213; 8.3381 90; 104.364; 90 | 408.55 | Wang, Qian; Lu, Ming Carbon skeleton: route to investigate high-performance insensitive energetic materials New Journal of Chemistry, 2022, 46, 6690-6693 |
| 7061376 | CIF | C5 H5 N3 O7 | C 1 2 1 | 7.259; 7.067; 8.126 90; 101.221; 90 | 408.9 | Wang, Qian; Lu, Ming Carbon skeleton: route to investigate high-performance insensitive energetic materials New Journal of Chemistry, 2022, 46, 6690-6693 |
| 7054445 | CIF | C8 H11 N O3 | P -1 | 6.2079; 7.7139; 8.6278 82.686; 88.718; 89.279 | 409.68 | Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J. Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy New J. Chem., 2014, 38, 5905 |
| 7061190 | CIF | C3 K0.5 N8 O Rb1.5 | P -1 | 4.4887; 7.571; 12.714 97.31; 92.74; 106.32 | 409.7 | Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry, 2022, 46, 4462-4469 |
| 7055155 | CIF | C8 H22 Co0.5 N8 Ni0.5 O10 | P -1 | 6.9096; 7.3355; 9.5299 105.577; 102.494; 110.156 | 410.52 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7053722 | CIF | C6 H5 Cl N6 | P 1 c 1 | 4.2896; 5.4645; 17.528 90; 91.449; 90 | 410.73 | Casarin, Maurizio; Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso An experimental and theoretical investigation of the molecular and electronic structure of 2-amino-4-chloro-6-pyrazolyl-[1,3,5]triazine, forming supramolecular linear tapes in the solid state New Journal of Chemistry, 2008, 32, 358 |
| 7055153 | CIF | C8 H22 Co N8 O10 | P -1 | 6.9244; 7.3583; 9.5353 105.537; 102.545; 110.219 | 412.65 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7054472 | CIF | C9 H8 N4 | P 1 21 1 | 7.3136; 4.5404; 12.823 90; 103.9; 90 | 413.34 | Goswami, Shyamaprosad; Chakraborty, Shampa; Adak, Monoj Kumar; Halder, Sandipan; Quah, Ching Kheng; Fun, Hoong-Kun; Pakhira, Bholanath; Sarkar, Sabyasachi A highly selective ratiometric chemosensor for Ni2+in a quinoxaline matrix New J. Chem., 2014, 38, 6230 |
| 7060196 | CIF | C4 H5 B N3 Na O2 | P -1 | 6.2298; 8.0256; 8.9101 105.478; 101.298; 97.248 | 413.44 | Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik Alkoxycyanoborates: metal salts and low-viscosity ionic liquids New Journal of Chemistry, 2021, 45, 14973-14987 |
| 7052664 | CIF | C12 H30 N4 O4 | P -1 | 5.1899; 7.4045; 11.2621 99.469; 96.754; 101.269 | 413.61 | Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M. Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes New Journal of Chemistry, 2011, 35, 1515 |
| 7055095 | CIF | F2 Mg3 O4 Si | P n m a | 10.268; 8.694; 4.65 90; 90; 90 | 415.1 | Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2 New J. Chem., 2015, 39, 8866 |
| 7059796 | CIF | C6 H8 Cu I N2 | P -1 | 7.749; 7.7769; 8.1453 72.597; 66.733; 70.721 | 417.52 | Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives New Journal of Chemistry, 2020, 44, 14103-14107 |
| 7062379 | CIF | B6 O12 Sr Zn2 | P -1 | 6.5206; 6.5408; 11.4026 79.29; 83.151; 61.048 | 417.89 | Long, Xiangyu; Lv, Yan; Wu, Xueyan Discovery of SrZn2B6O12 with an unprecedented quadruple-layered configuration New Journal of Chemistry, 2023, 47, 6041-6044 |
| 7054439 | CIF | C8 H13 N O3 | P -1 | 5.2735; 8.6164; 9.3766 97.6974; 93.5064; 95.8677 | 418.8 | Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J. Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy New J. Chem., 2014, 38, 5905 |
| 7050959 | CIF | C8 H14 O4 | P 1 21/n 1 | 5.687; 11.0509; 6.8521 90; 102.624; 90 | 420.22 | Chen, Wang; Lam, Yu-Lin; Wong, Ming Wah; Huang, Hsing Hua; Liang, Eping Gauche/trans equilibria of 2,2'-bi-1,3-dioxolanyl, 2,2'-dimethyl-2,2'-bi-1,3-dioxolanyl, 2,2'-bi-1,3-dithiolanyl and 2,2'-dimethyl-2,2'-bi-1,3-dithiolanyl in different media–theory and experiment New Journal of Chemistry, 2002, 26, 1686-1692 |
| 7061215 | CIF | C7 H6 N2 O S Se | P -1 | 6.6599; 7.4329; 8.7949 87.367; 75.419; 87.06 | 420.55 | Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V. New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts New Journal of Chemistry, 2022, 46, 3687-3696 |
| 7055518 | CIF | C4 H6 N6 O5 | P 1 21 1 | 6.761; 5.5064; 11.3925 90; 97.072; 90 | 420.9 | Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines New J. Chem., 2016, 40, 6059 |
| 7052196 | CIF | C6 H11 N3 O3 | P 3 c 1 | 8.25; 8.25; 7.15 90; 90; 120 | 421.45 | Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study New Journal of Chemistry, 2007, 31, 1935 |
| 7050083 | CIF | C3 H7 N O2 | P 21 21 21 | 5.942; 12.261; 5.785 90; 90; 90 | 421.5 | Wilson, Chick C.; Myles, Dean; Ghosh, Minakshi; Johnson, Louise N.; Wang, Wenging Neutron diffraction investigations of l- and d-alanine at different temperatures: the search for structural evidence for parity violation New Journal of Chemistry, 2005, 29, 1318 |
| 7062386 | CIF | H4 Li2 N O8 Rb S2 | P n a 21 | 8.751; 9.112; 5.291 90; 90; 90 | 421.9 | Xu, Junxin; Sha, Hongyuan; Shang, Yanran; Wang, Zujian; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe2BO3F2-like structure and disordered cations New Journal of Chemistry, 2023, 47, 7521-7526 |
| 7050084 | CIF | C3 H7 N O2 | P 21 21 21 | 5.94; 12.274; 5.806 90; 90; 90 | 423.3 | Wilson, Chick C.; Myles, Dean; Ghosh, Minakshi; Johnson, Louise N.; Wang, Wenging Neutron diffraction investigations of l- and d-alanine at different temperatures: the search for structural evidence for parity violation New Journal of Chemistry, 2005, 29, 1318 |
| 7050964 | CIF | C8 H24 F6 N7 Ni P | P -1 | 6.385; 8.841; 9.102 116.77; 91.86; 109.07 | 424 | Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia; Helen Stoeckli-Evans Four new NiII antiferromagnetic complexes with azido bridges New J. Chem., 2002, 26, 1601-1606 |
| 7054438 | CIF | B3 Cd4 O10 Yb | C 1 m 1 | 7.938; 15.794; 3.4414 90; 99.992; 90 | 424.9 | Zou, Guohong; Huang, Ling; Cai, Huaqiang; Wang, Shichao; Ye, Ning Synthesis and characterization of Cd4YbO(BO3)3‒ a congruent melting cadmium‒ytterbium oxyborate with large nonlinear optical properties New J. Chem., 2014, 38, 6186 |
| 7053286 | CIF | C6 H18 Mg N4 O12 S2 | P -1 | 7.0543; 7.7307; 8.6389 72.572; 74.37; 76.045 | 426.22 | Fernando, Isurika R.; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert Cation effect on the inorganic‒organic layered structure of pyrazole-4-sulfonate networks and inhibitory effects on copper corrosion New Journal of Chemistry, 2010, 34, 221 |
| 7060770 | CIF | Na4 S4 Sn | P -4 21 c | 7.8419; 7.8419; 6.9522 90; 90; 90 | 427.53 | Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors New Journal of Chemistry, 2021, 45, 12362-12366 |
| 7050550 | CIF | C8 H10 N4 O2 | P 1 21/c 1 | 8.401; 4.985; 10.714 90; 107.41; 90 | 428.1 | Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen Hydrogen bond patterns in aromatic and aliphatic dioximes New J. Chem., 2003, 27, 1084-1094 |
| 7052108 | CIF | C6 H13 N3 O4 | P -1 | 5.284; 8.501; 10.466 69.1; 77.91; 89.42 | 428.4 | Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates New Journal of Chemistry, 2007, 31, 287 |
| 7055511 | CIF | C4 H7 N7 O4 | P -1 | 6.3027; 6.8628; 10.6253 72.876; 87.968; 77.54 | 428.68 | Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines New J. Chem., 2016, 40, 6059 |
| 7050081 | CIF | C3 H7 N O2 | P 21 21 21 | 6.036; 12.342; 5.788 90; 90; 90 | 431.18 | C. Wilson; Minakshi Ghosh; L. Johnson; Dean Myles; Wenging Wang. Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation New J.Chem.(Nouv.J.Chim.), 2005 |
| 7050082 | CIF | C3 H7 N O2 | P 21 21 21 | 6.043; 12.337; 5.784 90; 90; 90 | 431.21 | C. Wilson; Minakshi Ghosh; L. Johnson; Dean Myles; Wenging Wang. Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation New J.Chem.(Nouv.J.Chim.), 2005 |
| 7062228 | CIF | C12 H20 Mg N2 O12 | P -1 | 7.5814; 7.6005; 7.6221 88.9529; 80.0769; 88.2066 | 432.38 | Balakrishnan, Prabha Devi; Arunadevi, Natarajan; Rath, Nigam P.; Kanchana, Ponnusamy; Premkumar, Thathan A one-pot solid-state synthesis of MgO nanoparticles and their catalytic, biological, and electrochemical sensor activities: hexaaquamagnesium(ii) bis(6-oxo-1,6-dihydropyridine-3-carboxylate) as a tool New Journal of Chemistry, 2023, 47, 3880-3891 |
| 7062433 | CIF | C10 H14 Cu3 N4 O14 | P -1 | 5.1649; 6.8991; 12.568 96.615; 94.583; 102.134 | 432.41 | Klongdee, Fatima; Sasada, Yuto; Nakano, Motohiro; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup Synthesis, X-ray structures, and magnetic properties of seven polynuclear Cu(ii) complexes containing pyrazole-3,5-dicarboxylate with various ancillary ligands New Journal of Chemistry, 2023, 47, 9669-9680 |
| 7062810 | CIF | B2 Mg3.17 Ni6.83 | R -3 m :H | 4.9496; 4.9496; 20.48 90; 90; 120 | 434.511 | Zhang, Weidong; Zhou, Juanfang; Zhang, Chao; Liu, Xinliang Aggregation-induced emission and reversible mechanoresponsive behavior of boryl substituted phenothiazine New Journal of Chemistry, 2023, 47, 20510-20516 |
| 7058774 | CIF | C4 H6 F2 N4 O6 | P -1 | 5.7184; 8.2861; 9.6182 100.379; 103.018; 92.979 | 434.72 | Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts New Journal of Chemistry, 2019, 43, 15115 |
| 7061962 | CIF | C4 H12 N2 O6 S | P -1 | 5.7797; 6.3309; 12.8187 76.647; 78.32; 74.621 | 435.01 | Lesnikov, Vladislav K.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu. Piperazine-1,4-diol (PipzDiol): synthesis, stereodynamics and assembly of supramolecular hydrogen-bonded 2D networks New Journal of Chemistry, 2022, 46, 20386-20394 |
| 7062788 | CIF | C21 H25 N O3 | P 1 | 5.8887; 8.3187; 9.4843 108.948; 94.92; 93.497 | 435.86 | Shukla, Jyoti; Gangwar, Manoj Kumar; Koley, Dipankar Total synthesis of (−)-δ-lycorane New Journal of Chemistry, 2023, 47, 18900-18904 |
| 7058496 | CIF | C18 H18 N8 Pd | P -1 | 4.5732; 9.8193; 10.5527 71.2; 86.444; 76.934 | 436.95 | Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Starova, Viktoriia S.; Trachevsky, Volodymyr V.; Shova, Sergiu; Severynovska, Olga V.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.; Lampeka, Rostyslav D. New palladium(ii) complexes with 3-(2-pyridyl)-5-alkyl-1,2,4-triazole ligands as recyclable C‒C coupling catalysts New Journal of Chemistry, 2019, 43, 10973 |
| 7055972 | CIF | C10 H8 N14 O10 | P -1 | 7.6518; 7.7243; 9.0083 95.49; 106.941; 117.039 | 437.09 | Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials New J. Chem., 2017, 41, 1918 |
| 7062914 | CIF | C4 H3 N9 O5 | P 1 21 1 | 8.078; 6.215; 8.92 90; 102.188; 90 | 437.7 | Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin Towards improved comprehensive energetic properties by skeleton modification New Journal of Chemistry, 2024, 48, 1067-1070 |
| 7050458 | CIF | C Cl2 O S | P 1 21/c 1 | 6.034; 10.311; 7.226 90; 99.72; 90 | 443.1 | Romano, Rosana M.; Della Védova, Carlos O.; Downs, Anthony J.; Parsons, Simon; Smith, Caroline Structural and vibrational properties of ClC(O)SY compounds with Y = Cl and CH3 New Journal of Chemistry, 2003, 27, 514 |
| 7055225 | CIF | B3 Cd4 Nd O10 | C 1 m 1 | 8.0536; 15.872; 3.5364 90; 100.268; 90 | 444.81 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
| 7052294 | CIF | C14 H14 B2 N2 O12 Pt | P -1 | 3.659; 10.172; 12.576 103.24; 96.89; 98.1 | 445.42 | Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J. Pyridinium boronic acid salts in crystal synthesis New Journal of Chemistry, 2006, 30, 1461 |
| 7055831 | CIF | Eu S3 Zr | P n m a | 8.465; 3.8075; 13.823 90; 90; 90 | 445.5 | Guo, Sheng-Ping; Chi, Yang; Zou, Jian-Ping; Xue, Huai-Guo Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS3 New J. Chem., 2016, 40, 10219 |
| 7050316 | CIF | C7 H9 Co N O7 | P -1 | 7.1111; 7.8561; 9.031 75.614; 68.57; 76.107 | 448.63 | Jingyang Niu; Dong-jie Guo; Jingping Wang; Jun-wei Zhao Controlled assembly of polyoxometalate-based composite materials containing zero- and one-dimensional structures New J.Chem.(Nouv.J.Chim.), 2004, 28, 980-987 |
| 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 |
| 7052290 | CIF | C14 H14 B2 N2 O12 Pt | P -1 | 3.6754; 10.5135; 12.215 102.091; 96.403; 98.557 | 451.4 | Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J. Pyridinium boronic acid salts in crystal synthesis New Journal of Chemistry, 2006, 30, 1461 |
| 7061850 | CIF | C10 H6 Cl2 Cu I4 N2 | P -1 | 6.679; 8.508; 8.869 70.54; 72.42; 88.46 | 451.5 | Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H. Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies New Journal of Chemistry, 2022, 46, 19024-19035 |
| 7058577 | CIF | B4 H6 K2 O10 | P -1 | 7.1689; 7.8464; 8.9736 68.583; 88.338; 74.86 | 452.36 | Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks New Journal of Chemistry, 2019, 43, 11660 |
| 7059452 | CIF | C10 H8 N2 Se | P -1 | 5.7164; 8.4317; 10.384 105.276; 105.188; 98.713 | 452.69 | Chaudhari, K. R.; Kunwar, A.; Bhuvanesh, N.; Dey, S. Synthesis and anti-proliferative activities of amine capped Pd and Pt macrocycles of 4,4′-dipyridylselenides New Journal of Chemistry, 2020, 44, 7329-7337 |
| 7063166 | CIF | C8 H15 N3 O | P 1 21 1 | 4.9628; 12.4177; 7.5022 90; 100.98; 90 | 453.871 | Podjed, Nina; Košmrlj, Janez; Modec, Barbara Piperidine and piperazine analogs in action: zinc(II)-mediated formation of amidines New Journal of Chemistry, 2024 |
| 7061849 | CIF | C10 H6 Br2 Cu I4 N2 | P -1 | 6.6977; 8.5845; 8.6691 71.645; 74.675; 89.946 | 454.41 | Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H. Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies New Journal of Chemistry, 2022, 46, 19024-19035 |
| 7062337 | CIF | C4 H7 N5 Na2 O4 | P -1 | 6.845; 7.2316; 10.2686 71.886; 71.147; 82.079 | 456.79 | Xu, Ze; Jiang, Shuaijie; Hou, Tianyang; Zhang, Xiaopeng; Lu, Ming; Xu, Yuangang Why does the cyclic pentazolate anion fail to undergo N-oxidization in oxone solution? New Journal of Chemistry, 2023, 47, 5616-5620 |
| 7054106 | CIF | C12 H18 Mg N4 O14 | P -1 | 4.7079; 7.0524; 14.1691 94.124; 91.235; 102.963 | 456.92 | Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C. Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes New Journal of Chemistry, 2014, 38, 2135 |
| 7052618 | CIF | C20 H18 N4 Ni O6 | P -1 | 6.6139; 6.9872; 10.4414 79.736; 82.999; 75.092 | 457.35 | Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks New Journal of Chemistry, 2011, 35, 865 |
| 7060634 | CIF | C4 H6 Cu N10 | P -1 | 5.587; 6.9121; 13.09 96.426; 99.436; 110.441 | 459.38 | Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles New Journal of Chemistry, 2021, 45, 11042-11050 |
| 7061323 | CIF | C8 H9 Fe N O6 | P -1 | 7.394; 8.345; 8.843 62.78; 71.92; 80.61 | 461.1 | Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry, 2022, 46, 6060-6067 |
| 7052665 | CIF | C14 H34 N4 O4 | P -1 | 5.1986; 7.4194; 12.423 88.755; 79.063; 78.612 | 461.13 | Martí-Rujas, Javier; Kariuki, Benson M.; Hughes, Colan E.; Morte-Ródenas, Anabel; Guo, Fang; Glavcheva-Laleva, Zornitza; Taştemür, Kemal; Ooi, Li-ling; Yeo, Lily; Harris, Kenneth D. M. Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes New Journal of Chemistry, 2011, 35, 1515 |
| 7050457 | CIF | C2 H3 Cl O S | P n m a | 6.1174; 6.6674; 11.3145 90; 90; 90 | 461.49 | Romano, Rosana M.; Della Védova, Carlos O.; Downs, Anthony J.; Parsons, Simon; Smith, Caroline Structural and vibrational properties of ClC(O)SY compounds with Y = Cl and CH3 New Journal of Chemistry, 2003, 27, 514 |
| 7057719 | CIF | C5 H9 Br2 Cd N O3 | P 1 21 1 | 7.8799; 7.4837; 8.0522 90; 102.935; 90 | 462.8 | Boopathi, K.; Babu, S. Moorthy; Jagan, R.; Athimoolam, S.; Ramasamy, P. Synthesis, crystal growth, physio-chemical characterization and quantum chemical calculations of NLO active metal‒organic crystal: dibromo(4-hydroxy-l-proline)cadmium(ii) for non-linear optical applications New Journal of Chemistry, 2018, 42, 17464 |
| 7054158 | CIF | C10 H7 N O6 | P -1 | 7.189; 7.5; 9.557 82.788; 87.499; 64.972 | 463.2 | Loots, Leigh; Haynes, Delia A.; Roex, Tanya le Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions New Journal of Chemistry, 2014, 38, 2778 |
| 7055270 | CIF | C12 H20 Au F6 N4 Sb | P -1 | 7.45; 7.938; 8.481 89.041; 84.027; 68.263 | 463.2 | Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding New J. Chem., 2016, 40, 1944 |
| 7058949 | CIF | C2 H5 N5 | P 21 21 21 | 5.7191; 7.7483; 10.4586 90; 90; 90 | 463.46 | Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions New Journal of Chemistry, 2019 |
| 7056585 | CIF | C22 H14 N4 O4 | P -1 | 4.4715; 6.6057; 16.7243 101.339; 91.268; 105.658 | 464.89 | Farfán, Norberto; Santillan, Rosa; Garcia Ortega, Héctor; Guerrero, Tomas; Morales-Saavedra, O. G.; Lacroix, Pascal Georges Bis(4-nitroanilines) in interaction through a π-conjugated bridge: conformational effects and potential molecular switches New J. Chem., 2017 |
| 7057486 | CIF | C11 H11 N O3 | P -1 | 8.0084; 8.1626; 8.5962 63.646; 69.49; 73.138 | 465.51 | Kumar, K. Shiva; Ramulu, Meesa Siddi; Kumar, N. Praveen Unexpected C‒N bond formation via Smiles rearrangement: one pot synthesis of N-arylated coumarin/pyran derivatives New Journal of Chemistry, 2018, 42, 11276 |
| 7054789 | CIF | C3 H6 N8 O6 | P -1 | 6.4007; 7.6439; 10.1075 70.985; 87.798; 85.279 | 465.92 | Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia 3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties New J. Chem., 2015, 39, 5265 |
| 7057358 | CIF | C18 H14 F4 I2 N2 | P -1 | 6.2409; 8.4295; 9.1751 80.934; 84.467; 78.592 | 466.17 | Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering New Journal of Chemistry, 2018, 42, 10584 |
| 7053335 | CIF | C9 H14 O3 | P -1 | 7.5561; 8.1977; 8.3331 88.322; 79.154; 67.174 | 466.71 | Clausen, Henrik F.; Chevallier, Marie S.; Spackman, Mark A.; Iversen, Bo B. Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions New Journal of Chemistry, 2010, 34, 193 |
| 7054108 | CIF | C12 H18 Mg N4 O14 | P -1 | 6.1279; 8.1151; 9.4126 89.443; 86.609; 88.628 | 467.11 | Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C. Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes New Journal of Chemistry, 2014, 38, 2135 |
| 7052197 | CIF | C7 H13 N3 O3 | P 1 21 1 | 8.42266; 6.97215; 8.06305 90; 98.6845; 90 | 468.066 | Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study New Journal of Chemistry, 2007, 31, 1935 |
| 7051663 | CIF | C2 H8 Li2 N10 O3 | P -1 | 6.7522; 7.788; 10.0091 83.827; 75.925; 66.539 | 468.3 | Ebespächer, Moritz; Klapötke, Thomas M.; Miró Sabaté, Carles Nitrogen-rich alkali metal 5,5′-hydrazinebistetrazolate salts: environmentally friendly compounds in pyrotechnic mixtures New Journal of Chemistry, 2009, 33, 517 |
| 7057668 | CIF | C10 H12 N2 O2 | P 1 n 1 | 6.5125; 5.9722; 12.1029 90; 95.656; 90 | 468.438 | Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael Quenching of syn-bimane fluorescence by Na+ complexation New Journal of Chemistry, 2018, 42, 15541 |
| 7055022 | CIF | C2 H Ag N4 O2 | P 1 21/c 1 | 3.6019; 11.273; 11.6 90; 93.389; 90 | 470.19 | Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance New J. Chem., 2015, 39, 7849 |
| 7061749 | CIF | C4 H8 Cl2 N4 O4 | P 1 21/c 1 | 5.8212; 11.9073; 7.3664 90; 112.794; 90 | 470.72 | Gribov, Pavel S.; Suponitsky, Kyrill Yu.; Sheremetev, Aleksei B. Efficient synthesis of N-(chloromethyl)nitramines via TiCl4-catalyzed chlorodeacetoxylation New Journal of Chemistry, 2022, 46, 17548-17553 |
| 7062775 | CIF | C7 H6 Cu I N4 | P -1 | 7.8402; 8.1337; 9.0972 107.503; 101.344; 113.872 | 471.01 | Mishra, Shivendu; Pandey, Dilip; Mishra, Kulbhushan; Viau, Lydie; Raghuvanshi, Abhinav Copper(i) iodide coordination polymers with triazole substituted pyridine ligands: photophysical and electrical conductivity properties New Journal of Chemistry, 2023, 47, 19751-19759 |
| 7054187 | CIF | C6 H8 Cu N8 | P -1 | 6.9212; 8.2733; 9.9826 67.059; 72.775; 65.514 | 472.84 | Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide New Journal of Chemistry, 2014, 38, 3529 |
| 7050524 | CIF | C16 H20 Cu N14 | P -1 | 6.5873; 8.4512; 9.2834 67.977; 81.207; 84.901 | 473.19 | Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/ New Journal of Chemistry, 2003, 27, 983 |
| 7058636 | CIF | C12 H22 Co N8 O12 | P -1 | 7.594; 7.8777; 9.2102 98.868; 101.319; 114.712 | 473.22 | Parveen, Sheikdawood; Premkumar, Thathan; Nguyen, Hung Huy; Govindarajan, Subbiah Facile template synthesis of water-soluble triazine-based Schiff base ligand bridged-coordination polymers of Co(ii), Ni(ii), and Cu(ii): structure, biomolecular interactions, and cytotoxic activity New Journal of Chemistry, 2019, 43, 13371 |
| 7057110 | CIF | C14 H26 N4 Ni S4 | P -1 | 6.5759; 8.4895; 8.8346 84.185; 78.947; 80.038 | 475.57 | Gervas, Charles; Mlowe, Sixberth; Akerman, Matthew P.; Revaprasadu, Neerish Phase pure Ni3S2 and NiS from bis(N′-ethyl-N-piperazinylcarbodithioato-S,S′)‒nickel(ii) via solvent thermolysis and aerosol assisted chemical vapour deposition New Journal of Chemistry, 2018, 42, 6203 |
| 7053950 | CIF | C12 H8 Fe2 N6 O8 S2 | P -1 | 6.6056; 8.1991; 9.6416 75.649; 71.705; 78.569 | 476.19 | Sanina, N. A.; Krivenko, A. G.; Manzhos, R. A.; Emel'yanova, N. S.; Kozub, G. I.; Korchagin, D. V.; Shilov, G. V.; Kondrat'eva, T. A.; Ovanesyan, N. S.; Aldoshin, S. M. Influence of aromatic ligand on the redox activity of neutral binuclear tetranitrosyl iron complexes [Fe2(μ-SR)2(NO)4]: experiments and quantum-chemical modeling New Journal of Chemistry, 2014, 38, 292 |
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