Crystallography Open Database
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Searching space group like 'P 1 21/a 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7215170 | CIF | C11 H8 Hg I3 N3 O | P 1 21/a 1 | 14.3544; 7.8891; 14.744 90; 99.842; 90 | 1645.1 | Khavasi, Hamid Reza; Tahrani, Alireza Azhdari The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures CrystEngComm, 2013, 15, 5799 |
7215259 | CIF | C54 H42 F6 N8 O15 Re2 S2 | P 1 21/a 1 | 12.1162; 27.444; 19.0654 90; 99.666; 90 | 6249.6 | Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A. An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation CrystEngComm, 2014, 16, 4641 |
7215260 | CIF | C12 H9 Br N2 O | P 1 21/a 1 | 12.8722; 4.9256; 17.571 90; 104.327; 90 | 1079.41 | Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A. An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation CrystEngComm, 2014, 16, 4641 |
7215294 | CIF | C30 H14 N4 O8 S Zn | P 1 21/a 1 | 17.615; 16.644; 19.66 90; 91.89; 90 | 5761 | Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism CrystEngComm, 2011, 13, 3360 |
7215460 | CIF | C16 H14 N4 S4 | P 1 21/a 1 | 11.0637; 7.2056; 22.927 90; 101.564; 90 | 1790.7 | Biet, Thomas; Avarvari, Narcis Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry CrystEngComm, 2014, 16, 6612 |
7215498 | CIF | C38 H42 Cl2 Cu2 N10 O15 | P 1 21/a 1 | 15.0633; 14.5216; 21.9097 90; 95.005; 90 | 4774.32 | Kolotilov, Sergey V.; Cador, Olivier; Pointillart, Fabrice; Golhen, Stéphane; Le Gal, Yann; Gavrilenko, Konstantin S.; Ouahab, Lahcène A new approach towards ferromagnetic conducting materials based on TTF-containing polynuclear complexes Journal of Materials Chemistry, 2010, 20, 9505 |
7215907 | CIF | C9 H10 N O3 Pd0.5 S2 | P 1 21/a 1 | 8.3977; 11.2186; 12.207 90; 108.288; 90 | 1091.9 | Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes CrystEngComm, 2014, 16, 7124 |
7215910 | CIF | C20 H20 N6 O6 Pd | P 1 21/a 1 | 9.67234; 14.37138; 8.18547 90; 92.7327; 90 | 1136.53 | Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes CrystEngComm, 2014, 16, 7124 |
7216072 | CIF | C4 H9 N3 O5 S Zn | P 1 21/a 1 | 9.194; 11.037; 9.283 90; 107.528; 90 | 898.25 | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J. The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate CrystEngComm, 2005, 7, 388 |
7216188 | CIF | C28 H16 Cl2 O2 S | P 1 21/a 1 | 13.991; 10.2442; 15.5461 90; 99.564; 90 | 2197.2 | Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross 2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects CrystEngComm, 2004, 6, 326 |
7216194 | CIF | C38 H40 Cl4 Cu2 N6 O7 | P 1 21/a 1 | 11.766; 24.48; 14.315 90; 100.78; 90 | 4050.4 | Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines CrystEngComm, 2004, 6, 627-632 |
7216312 | CIF | C15 H14 Cl N3 O4 S3 | P 1 21/a 1 | 10.726; 9.0275; 18.333 90; 97.24; 90 | 1761 | Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug CrystEngComm, 2003, 5, 487 |
7216582 | CIF | C2 H8 N6 Ni S2 | P 1 21/a 1 | 6.057; 6.941; 9.381 90; 94.5; 90 | 393.18 | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J. Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes CrystEngComm, 2002, 4, 539 |
7216874 | CIF | C11 H9 Cl3 O2 | P 1 21/a 1 | 9.751; 18.486; 14.7287 90; 115.759; 90 | 2391.1 | Yokoyama, Ryuji; Ito, Shunji; Watanabe, Masataka; Harada, Nobuyuki; Kabuto, Chizuko; Morita, Noboru [2 + 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene Journal of the Chemical Society, Perkin Transactions 1, 2001, 2257 |
7216890 | CIF | C21 H22 I6 O7 | P 1 21/a 1 | 13.818; 16.4; 14.252 90; 106.1; 90 | 3103 | Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl Journal of the Chemical Society, Perkin Transactions 1, 2001, 1175 |
7216950 | CIF | C7 H7 N O | P 1 21/a 1 | 6.629; 12.996; 7.373 90; 109.78; 90 | 597.7 | Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H. Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/ Journal of the Chemical Society, Perkin Transactions 2, 2001, 2195 |
7216960 | CIF | C33 H41 F O2 S2 | P 1 21/a 1 | 18.3159; 8.4338; 20.4494 90; 104.829; 90 | 3053.66 | Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko Preparation and structural properties of dithia[3.3.1]metacyclophanes Journal of the Chemical Society, Perkin Transactions 2, 2001, 2084 |
7217114 | CIF | C16 H31 F6 N2 P | P 1 21/a 1 | 9.175; 9.849; 22.197 90; 94.13; 90 | 2000.6 | Gordon, Charles M.; Holbrey, John D.; Kennedy, Alan R.; Seddon, Kenneth R. Ionic liquid crystals: hexafluorophosphate salts Journal of Materials Chemistry, 1998, 8, 2627 |
7218388 | CIF | C10 H16 N3 O P | P 1 21/a 1 | 8.9605; 10.9173; 12.2318 90; 102.135; 90 | 1169.83 | Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study CrystEngComm, 2014, 16, 10870 |
7218389 | CIF | C12 H20 N3 O P | P 1 21/a 1 | 9.3055; 10.8856; 12.9523 90; 93.386; 90 | 1309.73 | Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study CrystEngComm, 2014, 16, 10870 |
7218748 | CIF | C26 H30 N2 O2 | P 1 21/a 1 | 8.8404; 8.9886; 13.346 90; 94.802; 90 | 1056.79 | Ravat, Prince; Baumgarten, Martin "Tschitschibabin type biradicals": benzenoid or quinoid? Physical chemistry chemical physics : PCCP, 2015, 17, 983-991 |
7218750 | CIF | C10 H13 N O | P 1 21/a 1 | 8.6143; 9.1073; 11.3382 90; 101.959; 90 | 870.21 | Ravat, Prince; Baumgarten, Martin "Tschitschibabin type biradicals": benzenoid or quinoid? Physical chemistry chemical physics : PCCP, 2015, 17, 983-991 |
7220453 | CIF | C77 H67 Cl2 N5 Zn | P 1 21/a 1 | 17.737; 18.295; 19.069 90; 92.168; 90 | 6183.4 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
7220454 | CIF | C71 H76 N4 O5 Zn | P 1 21/a 1 | 19.126; 17.2247; 19.215 90; 93.303; 90 | 6319.7 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
7220534 | CIF | C8 H2 Cd Cl2 O4 | P 1 21/a 1 | 7.882; 7.035; 16.863 90; 97.547; 90 | 927 | Neto, Brenno A. D.; Silva, Gabriel C.O.; Corrêa, José; Rodrigues, marcelo Oliveira; Alvim, Haline G. O.; Guido, Bruna C.; Gatto, Claudia C.; Wanderley, Kaline; Fioramonte, Mariana; Gozzo, Fabio Cesar; de Souza, Rodrigo Octavio M. A. The Biginelli Reaction under Batch and Continuous Flow Conditions: Catalysis, Mechanism and Antitumoral Activity RSC Adv., 2015 |
7220859 | CIF | C25 H32 Ga N S2 | P 1 21/a 1 | 8.0157; 25.291; 11.9431 90; 92.129; 90 | 2419.5 | Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki High HOMO levels and narrow energy band gaps of dithienogalloles RSC Adv., 2015, 5, 55406 |
7221663 | CIF | C26 H29 N3 | P 1 21/a 1 | 13.2115; 9.4084; 18.0693 90; 107.007; 90 | 2147.78 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
7221672 | CIF | C29 H21 B F2 N2 O | P 1 21/a 1 | 15.823; 9.588; 17.462 90; 114.623; 90 | 2408 | Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye CrystEngComm, 2015, 17, 6674 |
7222012 | CIF | C36 H27 N2 O3 P Pd | P 1 21/a 1 | 8.8683; 21.5484; 15.2026 90; 96.079; 90 | 2888.8 | ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds RSC Adv., 2015 |
7222295 | CIF | C13 H13 N3 O2 S | P 1 21/a 1 | 7.4145; 16.0955; 11.8314 90; 105.632; 90 | 1359.7 | Arshad, Muhammad Nadeem; Rahman, Mohammed M.; Asiri, Abdullah M.; Sobahi, Tariq R.; Yu, Shu-Hong Development of Hg2+sensor based on N′-[1-(pyridin-2-yl)ethylidene]benzenesulfono-hydrazide (PEBSH) fabricated silver electrode for environmental remediation RSC Adv., 2015, 5, 81275 |
7222367 | CIF | C92.5 H134.25 F8.25 N O17.75 | P 1 21/a 1 | 22.59; 16.93; 25.77 90; 92.54; 90 | 9846 | Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening CrystEngComm, 2015, 17, 7915 |
7222937 | CIF | As7 Cs3 H3 N | P 1 21/a 1 | 27.59; 7.441; 7.515 90; 90.16; 90 | 1542.8 | Somer, M.; Hoenle, W.; von Schnering, H. G. Darstellung, Kristallstruktur und Schwingungsspektren von Cs3As7 und Cs3(NH3)As7 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 296-306 |
7222956 | CIF | Cs2 O12 U2 V2 | P 1 21/a 1 | 10.521; 8.4369; 7.308 90; 106.08; 90 | 623.312 | Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Patat, S.; Hull, S.; Powell, A.V. Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5 Journal of Materials Chemistry, 1992, 2, 161-166 |
7222963 | CIF | N2 Pd S6 | P 1 21/a 1 | 7.14; 8.99; 12.165 90; 96.3; 90 | 776.139 | Weiss, J.; Neubert, H.S. Zur Kenntnis der Metall-Schwefelstickstoff-Verbindungen IV. Die Struktur von (Pd (N S3)2) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1966, 21, 286-287 |
7223301 | CIF | C36 H27 N O3 | P 1 21/a 1 | 18.295; 8.6639; 19.269 90; 115.79; 90 | 2750 | Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications RSC Adv., 2015 |
7223566 | CIF | C35 H30.5 Cd2 N6 O10.25 | P 1 21/a 1 | 16.095; 16.492; 16.308 90; 118.02; 90 | 3821.4 | Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands RSC Adv., 2015, 5, 107166 |
7223567 | CIF | C33 H24 Cd2 N8 O14 | P 1 21/a 1 | 15.964; 16.319; 16.578 90; 118.02; 90 | 3812.6 | Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands RSC Adv., 2015, 5, 107166 |
7223676 | CIF | Cl10 N6 S8 Se2 | P 1 21/a 1 | 8.175; 17.904; 8.432 90; 104.31; 90 | 1195.86 | Stammler, H.G.; Weiss, J. Synthese und Kristallstruktur von (S4N3)2Se2Cl10 , (S4N3)2Se2Cl6 und ((S4N3)SeCl5)n Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 1483-1487 |
7223912 | CIF | C21 H16 N2 O8 | P 1 21/a 1 | 24.5332; 5.2575; 22.0935 90; 112.626; 90 | 2630.37 | Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization. CrystEngComm, 2016 |
7224132 | CIF | C36 H50 O6 S2 | P 1 21/a 1 | 14.1458; 7.2193; 17.4712 90; 98.5591; 90 | 1764.34 | Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R. Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres. Physical chemistry chemical physics : PCCP, 2016, 18, 5981-5994 |
7224732 | CIF | C9 H9 N3 O2 S2 | P 1 21/a 1 | 15.488; 8.481; 17.387 90; 112.763; 90 | 2106 | Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E. Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam CrystEngComm, 2016, 18, 3289 |
7225216 | CIF | C54 H34 F6 Ir N3 O5 | P 1 21/a 1 | 19.19; 10.3544; 23.935 90; 101.528; 90 | 4660 | Okamura, Naoki; Nakamura, Taiyo; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Koseki, Shiro Novel bis- and tris-cyclometalated iridium(III) complexes bearing a benzoyl group on each fluorinated 2-phenylpyridinate ligand aimed at development of blue phosphorescent materials for OLED RSC Adv., 2016 |
7225690 | CIF | C13 H11 Cl2 N O4 | P 1 21/a 1 | 11.3192; 10.2762; 11.7534 90; 100.198; 90 | 1345.54 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
7225691 | CIF | C13 H11 Cl2 N O4 | P 1 21/a 1 | 11.3192; 10.2762; 11.7534 90; 100.198; 90 | 1345.54 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
7225868 | CIF | C12 H6 Cd N4 O3 | P 1 21/a 1 | 10.2092; 8.5034; 13.885 90; 98.655; 90 | 1191.7 | Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid CrystEngComm, 2016, 18, 6396 |
7226008 | CIF | C60 H36 S4 | P 1 21/a 1 | 9.6722; 26.7274; 11.2684 90; 106.882; 90 | 2787.5 | Yamada, Hiroko; Yamashita, Masataka; Hayashi, Hironobu; Suzuki, Mitsuharu; Kuzuhara, Daiki; Yuasa, Junpei; Kawai, Tsuyoshi; Aratani, Naoki Bisanthra-thianthrene: synthesis, structure and oxidation properties RSC Adv., 2016 |
7227050 | CIF | C24 H15 N6 O2 | P 1 21/a 1 | 7.3613; 37.7897; 7.9918 90; 115.71; 90 | 2003.08 | Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M. Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ CrystEngComm, 2016, 18, 8906 |
7227165 | CIF | C26 H29 Cl2 N5 O3 | P 1 21/a 1 | 24.1866; 8.1122; 13.0215 90; 91.868; 90 | 2553.55 | Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal Rationalization of the formation and stability of bosutinib solvated forms CrystEngComm, 2016, 18, 9260 |
7227254 | CIF | C26 H34 N4 O4 | P 1 21/a 1 | 8.6751; 11.2503; 13.3424 90; 94.681; 90 | 1297.84 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
7227255 | CIF | C22 H26 N4 O2 | P 1 21/a 1 | 8.829; 11.313; 10.403 90; 107.834; 90 | 989.1 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
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