Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7052970 | CIF | C8 H20 N2 O12 | P 1 21/c 1 | 4.8685; 17.2207; 17.2062 90; 91.668; 90 | 1441.94 | Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid New Journal of Chemistry, 2013, 37, 97 |
7052971 | CIF | C5 N O7 | P 1 21 1 | 14.3723; 6.2614; 9.1815 90; 92.112; 90 | 825.69 | Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid New Journal of Chemistry, 2013, 37, 97 |
7052972 | CIF | C8 H20 N2 O12 | P 1 21 1 | 4.8832; 11.9276; 12.4798 90; 92.018; 90 | 726.43 | Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid New Journal of Chemistry, 2013, 37, 97 |
7052973 | CIF | C8 N2 O12 | P 1 21 1 | 12.5711; 11.2144; 5.2079 90; 100.529; 90 | 721.83 | Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid New Journal of Chemistry, 2013, 37, 97 |
7052974 | CIF | C21 H30 F12 N6 P2 Ru S3 | P -1 | 11.7238; 11.7563; 13.1508 109.956; 94.499; 110.922 | 1549.4 | Todd, Adam M.; Swinburne, Adam N.; Goeta, Andrés E.; Steed, Jonathan W. Anion receptor coordination tripods capped by [9]ane-S3 New Journal of Chemistry, 2013, 37, 89 |
7052975 | CIF | C22 H32 N2 O10 Si2 | P 1 21/n 1 | 7.7341; 8.1924; 20.4587 90; 98.448; 90 | 1282.22 | Pfeifer, Stefan; Schwarzer, Anke; Schmidt, Dana; Brendler, Erica; Veith, Michael; Kroke, Edwin Precursors for pyromellit-bridged silica sol‒gel hybrid materials New Journal of Chemistry, 2013, 37, 169 |
7052976 | CIF | C24 H36 N2 O10 Si2 | P 1 21/c 1 | 14.2971; 7.7793; 25.6231 90; 99.546; 90 | 2810.38 | Pfeifer, Stefan; Schwarzer, Anke; Schmidt, Dana; Brendler, Erica; Veith, Michael; Kroke, Edwin Precursors for pyromellit-bridged silica sol‒gel hybrid materials New Journal of Chemistry, 2013, 37, 169 |
7052977 | CIF | C31 H26 O | P -1 | 7.8416; 10.779; 13.485 95.885; 98.485; 103.936 | 1082.8 | Moorthy, Jarugu Narasimha; Mandal, Susovan; Kumar, Amrit Photochromism of novel chromenes constrained to be part of [2.2]paracyclophane: remarkable ‘phane’ effects on the colored o-quinonoid intermediates New Journal of Chemistry, 2013, 37, 82 |
7052978 | CIF | C121 H151 La2 N21 O33 | P -1 | 18.2537; 18.39; 20.7899 74.209; 89.492; 87.577 | 6709.5 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052979 | CIF | C126 H159 Er N18 O23 | P -1 | 21.31; 21.575; 25.924 82.036; 86.57; 84.975 | 11744.8 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052980 | CIF | C120 H145 N21 O32 Yb2 | P -1 | 17.6026; 17.8227; 20.5821 81.527; 81.654; 88.492 | 6318.9 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052981 | CIF | C133 H169 N18 O22.5 Yb | P 21 3 | 23.7722; 23.7722; 23.7722 90; 90; 90 | 13434.1 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052982 | CIF | C139 H175 F9 N15 O18 S3 Yb | P -1 | 14.8807; 20.2373; 24.8721 95.009; 101.027; 107.138 | 6942.5 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052983 | CIF | C95 H105 F9 N15 O13 S3 Yb | C 1 c 1 | 24.8539; 13.987; 28.8206 90; 104.791; 90 | 9687 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052984 | CIF | C111 H83 F9 N21 O13 S3 Yb | P -1 | 13.6476; 16.3938; 23.0054 88.036; 89.204; 82.558 | 5100.5 | Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J. 1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems New Journal of Chemistry, 2013, 37, 119 |
7052985 | CIF | C46 H52 Cl4 Co2 N8 O2 | C 1 2/m 1 | 17.232; 15.471; 9.473 90; 114.15; 90 | 2304.4 | Jacobs, Tia; Barbour, Leonard J. Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion New Journal of Chemistry, 2013, 37, 71 |
7052986 | CIF | C44 H44 Cl4 Co2 N8 | C 1 2/c 1 | 20.02; 14.595; 17.102 90; 118.62; 90 | 4386.5 | Jacobs, Tia; Barbour, Leonard J. Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion New Journal of Chemistry, 2013, 37, 71 |
7052987 | CIF | C46 H52 Cl4 N8 O2 Zn2 | C 1 2/m 1 | 17.36; 15.483; 9.44 90; 113.97; 90 | 2319 | Jacobs, Tia; Barbour, Leonard J. Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion New Journal of Chemistry, 2013, 37, 71 |
7052988 | CIF | C44 H44 Cl4 N8 Zn2 | C 1 2/c 1 | 20.01; 14.658; 17.146 90; 118.325; 90 | 4426.9 | Jacobs, Tia; Barbour, Leonard J. Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion New Journal of Chemistry, 2013, 37, 71 |
7052989 | CIF | C68 H116 Ce2 O3 S | P 1 21/c 1 | 20.6275; 10.5366; 30.6641 90; 99.59; 90 | 6571.5 | Werkema, Evan L.; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A. Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study New Journal of Chemistry, 2013, 37, 132 |
7052990 | CIF | C35 H58 Ce F3 O3 S | P 1 21/n 1 | 10.5673; 21.532; 16.3041 90; 98.267; 90 | 3671.2 | Werkema, Evan L.; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A. Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study New Journal of Chemistry, 2013, 37, 132 |
7052991 | CIF | C16 H18 N8 O7 Zn2 | C 1 2/c 1 | 17.083; 11.2862; 11.2092 90; 106.755; 90 | 2069.4 | Lou, Benyong; He, Fengdan Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids New Journal of Chemistry, 2013, 37, 309 |
7052992 | CIF | C21 H20 N8 O7 Zn2 | C 1 2/c 1 | 16.023; 13.4229; 11.4932 90; 103.331; 90 | 2405.3 | Lou, Benyong; He, Fengdan Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids New Journal of Chemistry, 2013, 37, 309 |
7052993 | CIF | C13 H11 N5 O4 Zn | P b c a | 11.8565; 11.048; 20.2252 90; 90; 90 | 2649.3 | Lou, Benyong; He, Fengdan Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids New Journal of Chemistry, 2013, 37, 309 |
7052994 | CIF | C138.5 H131 Cl N14 O23 Zn2 | P -1 | 13.5277; 15.3111; 17.7296 86.083; 67.796; 77.863 | 3323.7 | Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais Zinc‒ and palladium‒porphyrin based turnstiles New Journal of Chemistry, 2013, 37, 112 |
7052995 | CIF | C148 H156 N14 O23 Pd2 | P -1 | 14.8196; 17.1292; 17.1532 63.953; 84.648; 64.883 | 3518.9 | Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais Zinc‒ and palladium‒porphyrin based turnstiles New Journal of Chemistry, 2013, 37, 112 |
7052996 | CIF | C19 H26 B N O5 | P 1 21/n 1 | 13.1083; 9.45522; 15.1358 90; 99.016; 90 | 1852.78 | Adamczyk-Woźniak, Agnieszka; Borys, Krzysztof M.; Madura, Izabela D.; Pawełko, Alicja; Tomecka, Ewelina; Żukowski, Kamil Lewis acidity and sugar receptor activity of 3-amino-substituted benzoxaboroles and their ortho-aminomethylphenylboronic acid analogues New Journal of Chemistry, 2013, 37, 188 |
7052997 | CIF | C25 H8 Cl2 F10 N4 S | C 1 2/c 1 | 35.577; 6.4458; 12.9791 90; 109.18; 90 | 2811.2 | Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties New Journal of Chemistry, 2013, 37, 409 |
7052998 | CIF | C24 H6 F10 N4 O | C 1 2/c 1 | 36.916; 6.298; 9.662 90; 101.03; 90 | 2204.9 | Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties New Journal of Chemistry, 2013, 37, 409 |
7052999 | CIF | C18 H22 Mg O13 Zn | P n m a | 22.017; 16.2879; 13.7909 90; 90; 90 | 4945.6 | Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands New Journal of Chemistry, 2013, 37, 380 |
7053000 | CIF | C18 H14 O9 Zn2 | P 1 21/c 1 | 12.0711; 12.2504; 13.3746 90; 101.194; 90 | 1940.15 | Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands New Journal of Chemistry, 2013, 37, 380 |
7053001 | CIF | C24 H26 O10 Zn3 | P -1 | 8.0667; 12.2547; 12.591 95.846; 93.184; 95.283 | 1230.3 | Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands New Journal of Chemistry, 2013, 37, 380 |
7053002 | CIF | C30 H36 Ba O14 Zn2 | C 1 m 1 | 18.14; 31.2496; 6.8627 90; 106.35; 90 | 3732.9 | Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands New Journal of Chemistry, 2013, 37, 380 |
7053003 | CIF | C21 H17 N3 O3 | R -3 :H | 34.465; 34.465; 7.825 90; 90; 120 | 8050 | Xu, Huajie; Liu, Zhaodi; Sheng, Liangquan; Chen, Mingming; Huang, Deqian; Zhang, Hong; Song, Chongfu; Chen, Shuisheng A novel “turn-on” fluorescent probe for Fe3+ in aqueous media based on CN isomerization New Journal of Chemistry, 2013, 37, 274 |
7053004 | CIF | C38 H34 F2 N4 O8 Zn | P -1 | 9.1543; 9.4031; 20.9383 77.882; 79.291; 83.454 | 1726.21 | Tarushi, Alketa; Kljun, Jakob; Turel, Iztok; Pantazaki, Anastasia A.; Psomas, George; Kessissoglou, Dimitris P. Zinc(II) complexes with the quinolone antibacterial drug flumequine: structure, DNA- and albumin-binding New Journal of Chemistry, 2013, 37, 342 |
7053005 | CIF | C24 H19 Cl F N3 O3 Zn | P -1 | 7.8443; 9.2261; 15.1286 100.316; 100.686; 96.171 | 1047.24 | Tarushi, Alketa; Kljun, Jakob; Turel, Iztok; Pantazaki, Anastasia A.; Psomas, George; Kessissoglou, Dimitris P. Zinc(ii) complexes with the quinolone antibacterial drug flumequine: structure, DNA- and albumin-binding New Journal of Chemistry, 2013, 37, 342 |
7053006 | CIF | C93.64 H13.16 F54 | P -1 | 12.448; 13.931; 22.376 86.52; 80.65; 69.71 | 3591.1 | Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I. Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20 New Journal of Chemistry, 2013, 37, 299 |
7053007 | CIF | C93 H7 F60 | P 1 21/n 1 | 14.524; 21.689; 23.545 90; 99.168; 90 | 7322.2 | Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I. Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20 New Journal of Chemistry, 2013, 37, 299 |
7053008 | CIF | C100.5 H12 F60 | P -1 | 14.7468; 15.55; 18.135 78.495; 82.54; 71.023 | 3844.1 | Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I. Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20 New Journal of Chemistry, 2013, 37, 299 |
7053009 | CIF | C20 H10 O2 S | P 1 21/c 1 | 11.7261; 6.3804; 19.3742 90; 90.906; 90 | 1449.34 | Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics New Journal of Chemistry, 2013, 37, 601 |
7053010 | CIF | C16 H13 Br O2 | C 1 c 1 | 18.3586; 8.6988; 8.3214 90; 98.203; 90 | 1315.31 | Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics New Journal of Chemistry, 2013, 37, 601 |
7053011 | CIF | C36 H29 N O5 V | P 1 21/a 1 | 10.8327; 20.919; 13.3107 90; 104.117; 90 | 2925.2 | Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest VO⋯C interactions in crystal structures of oxovanadium-coordination compounds New Journal of Chemistry, 2013, 37, 619 |
7053012 | CIF | C42 H36 N2 O6 S V | P -1 | 10.333; 14.007; 14.251 77.356; 70.407; 77.535 | 1873.2 | Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest VO⋯C interactions in crystal structures of oxovanadium-coordination compounds New Journal of Chemistry, 2013, 37, 619 |
7053013 | CIF | C16 H20 N2 O | P 1 21/c 1 | 11.7951; 9.4577; 12.8525 90; 91.093; 90 | 1433.49 | Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols New Journal of Chemistry, 2013, 37, 563 |
7053014 | CIF | C13 H13 N O2 | P 1 21/c 1 | 8.489; 17.2434; 8.1339 90; 110.61; 90 | 1114.43 | Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols New Journal of Chemistry, 2013, 37, 563 |
7053015 | CIF | C14 H12 N2 O | P c a 21 | 10.6147; 11.5927; 9.2553 90; 90; 90 | 1138.89 | Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols New Journal of Chemistry, 2013, 37, 563 |
7053016 | CIF | C21 H20 O2 | P 21 21 21 | 5.9087; 12.77; 21.8373 90; 90; 90 | 1647.71 | Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols New Journal of Chemistry, 2013, 37, 563 |
7053017 | CIF | C21 H26 N4 O4 | R -3 :H | 32.989; 32.989; 7.098 90; 90; 120 | 6690 | Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly New Journal of Chemistry, 2013, 37, 663 |
7053018 | CIF | C18 H14 N4 O | P n a 21 | 22.003; 7.1308; 18.677 90; 90; 90 | 2930.4 | Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly New Journal of Chemistry, 2013, 37, 663 |
7053019 | CIF | C19 H14 N4 O | P 1 21/c 1 | 8.041; 19.459; 18.998 90; 94.696; 90 | 2962.6 | Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly New Journal of Chemistry, 2013, 37, 663 |
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