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 |
---|---|---|---|---|---|---|
7115132 | CIF | C24 H24 B Bi F4 | P 1 21/a 1 | 17.863; 13.7651; 19.835 90; 98.235; 90 | 4826.9 | Matano, Yoshihiro First synthesis of alkynyltriphenylbismuthonium salts and their dual reaction modes in sulfonylation Chemical Communications, 2000, 2233 |
7115179 | CIF | C24 H40 B17 P S | P 1 21/a 1 | 13.7139; 21.8452; 22.0843 90; 98.321; 90 | 6546.43 | Jelínek, Tomáš; Kilner, Colin A.; Barrett, Simon A.; Thornton-Pett, Mark; Kennedy, John D. Macropolyhedral boron-containing cluster chemistry. The [SB17H19]− anion: a nido-ten-vertex : arachno-ten-vertex cluster architecture and the first single-sulfur macropolyhedral thiaborane Chemical Communications, 1999, 1905 |
7115563 | CIF | C27 H31 Br2 N O4 S Si | P 1 21/a 1 | 18.9903; 12.146; 26.2415 90; 108.147; 90 | 5751.7 | Tomoya Miura; Takayuki Nakamuro; Kentaro Hiraga; Masahiro Murakami The stereoselective synthesis of alpha-amino aldols starting from terminal alkynes Chem.Commun., 2014, 50, 10474 |
7116974 | CIF | C43 H54 O5 S2 | P 1 21/a 1 | 13.3707; 18.8446; 16.9728 90; 107.545; 90 | 4077.62 | Michal Hucko; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak 2,14-Dithiacalix[4]arene and its homooxa analogues: synthesis and dynamic NMR study of conformational behaviour Chem.Commun., 2015, 51, 7051 |
7117085 | CIF | C26 H24 N2 Si | P 1 21/a 1 | 14.1331; 7.8144; 18.4958 90; 102.186; 90 | 1996.68 | Takayuki Tanaka; Atsuhiro Osuka Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state Chem.Commun., 2015, 51, 8123 |
7117197 | CIF | C90 H106 Cl4 N10 O92.75 V16 | P 1 21/a 1 | 21.2958; 21.33; 21.9581 90; 105.868; 90 | 9594.2 | Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko A new family of anionic organic-inorganic hybrid doughnut-like nanostructures Chem.Commun., 2015, 51, 9223 |
7117434 | CIF | Li O8 Sb3 | P 1 21/a 1 | 10.2578; 4.7063; 5.6017 90; 96.467; 90 | 268.708 | Lopes, M.E.; Kirk, C.A.; Blake, S.M.; Marr, J.; West, A.R. Li Sb3 O8: the first tetrarutile structure Chemical Communications, 2000, 2000, 1951-1952 |
7117580 | CIF | C9 H9 B F4 N2 | P 1 21/a 1 | 13.372; 6.2221; 13.8278 90; 112.232; 90 | 1065 | Leblanc, Nicolas; Sproules, Stephen; Pasquier, Claude; Auban-Senzier, Pascale; Raffy, Helene; Powell, Annie K. Approaching the limit of Cu(II)/Cu(I) mixed valency in a Cu(I)Br2-N-methylquinoxalinium hybrid compound. Chemical communications (Cambridge, England), 2015, 51, 12740-12743 |
7118069 | CIF | C32 H31 Au N2 | P 1 21/a 1 | 8.404; 13.1184; 23.6 90; 90; 90 | 2601.83 | Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes Chem.Commun., 2015, 51, 16629 |
7118148 | CIF | C21 H21 N5 O3 | P 1 21/a 1 | 9.516; 16.738; 12.25 90; 107.8; 90 | 1857.8 | Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations. Chemical communications (Cambridge, England), 2015, 51, 17572-17575 |
7118614 | CIF | C168 H118 N10 O31 Zn8 | P 1 21/a 1 | 15.4739; 57.1814; 24.7469 90; 94.602; 90 | 21825.9 | Bag, Partha Pratim; Wang, Dong; Chen, Zhuo; Cao, Rong Outstanding drug loading capacity by water stable microporous MOF: a potential drug carrier. Chemical communications (Cambridge, England), 2016, 52, 3669-3672 |
7118755 | CIF | C13 H15 Cl N4 O2 | P 1 21/a 1 | 7.4885; 10.5846; 17.5033 90; 98.615; 90 | 1371.71 | Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana Triggering autocatalytic reaction by host-guest interactions. Chemical communications (Cambridge, England), 2016, 52, 4191-4194 |
7119000 | CIF | C37 H33 N5 Ni | P 1 21/a 1 | 7.0843; 25.1223; 8.2327 90; 103.844; 90 | 1422.65 | Ryo Nozawa; Keitaro Yamamoto; Ichiro Hisaki; Ji-Young Shin; Hiroshi Shinokubo Ni^II^ tetrahydronorcorroles: antiaromatic porphyrinoids with saturated pyrrole units Chem.Commun., 2016, 52, 7106 |
7119501 | CIF | C83 H29 Cl2 N2.36 O4.5 | P 1 21/a 1 | 19.9364; 11.5274; 22.498 90; 104.908; 90 | 4996.4 | Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro Unprecedented photochemical rearrangement of an open-cage C60 derivative. Chemical communications (Cambridge, England), 2017, 53, 1712-1714 |
7119807 | CIF | C44 H26 Dy F9 N2 O6 S10 | P 1 21/a 1 | 11.9987; 26.1502; 18.4103 90; 92.8746; 90 | 5769 | Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L. Isotopically enriched polymorphs of dysprosium single molecule magnets. Chemical communications (Cambridge, England), 2017, 53, 3575-3578 |
7119808 | CIF | C44 H26 F9 N2 O6 S10 Y | P 1 21/a 1 | 11.819; 26.13; 18.549 90; 93.28; 90 | 5719 | Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L. Isotopically enriched polymorphs of dysprosium single molecule magnets. Chemical communications (Cambridge, England), 2017, 53, 3575-3578 |
7119858 | CIF | C27 H25 B F2 N2 O2 | P 1 21/a 1 | 8.153; 17.336; 17.063 90; 103.317; 90 | 2346.8 | Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries. Chemical communications (Cambridge, England), 2017, 53, 3834-3837 |
7120226 | CIF | C29 H26 F3 O4 P S | P 1 21/a 1 | 17.1568; 31.6078; 19.9304 90; 96.761; 90 | 10732.9 | Morita, Kenta; Ohta, Reiya; Aoyama, Hiroshi; Yahata, Kenzo; Arisawa, Mitsuhiro; Fujioka, Hiromichi Concise synthesis of oxacyclic compounds using highly discriminative two-way transformations of α,β-unsaturated esters in the presence of enones Chem. Commun., 2017 |
7120395 | CIF | C47 H30 Ag2 Cl2 F6 N4 O6 S2 | P 1 21/a 1 | 14.8841; 14.9687; 21.4518 90; 102.663; 90 | 4663.1 | Gon, Masayuki; Morisaki, Yasuhiro; Chujo, Yoshiki A silver(i)-induced higher-ordered structure based on planar chiral tetrasubstituted [2.2]paracyclophane Chem. Commun., 2017 |
7120439 | CIF | C135.6 H150.4 B2 Cl19 Fe2 N13.4 O9.3 | P 1 21/a 1 | 19.972; 35.165; 21.803 90; 103.419; 90 | 14895 | Sekino, Mio; Furutachi, Hideki; Tojo, Rina; Hishi, Ayumi; Kajikawa, Hanako; Suzuki, Takatoshi; Suzuki, Kaito; Fujinami, Shuhei; Akine, Shigehisa; Sakata, Yoko; Ohta, Takehiro; Hayami, Shinya; Suzuki, Masatatsu New mechanistic insight into intramolecular aromatic ligand hydroxylation and benzyl alcohol oxidation initiated by well-defined (μ-peroxo)diiron(III) complex Chem. Commun., 2017 |
7120547 | CIF | C126 H65 Cl2 N3 O6 S18 | P 1 21/a 1 | 16.902; 26.87; 21.474 90; 92.102; 90 | 9746 | Bähring, Steffen; Larsen, Karina Risom; Supur, Mustafa; Nielsen, Kent A.; Poulsen, Thomas; Ohkubo, Kei; Marlatt, Craig W.; Miyazaki, Eigo; Takimiya, Kazuo; Flood, Amar H.; Fukuzumi, Shunichi; Jeppesen, Jan Oskar Oskar Ionic manipulation of the charge-transfer characteristics and photo-dynamics in a complex of an electronically-tuned monopyrrolo-tetrathiafulvalene cage confining [60]fullerene Chem. Commun., 2017 |
7121519 | CIF | C28 H48 B2 N2 | P 1 21/a 1 | 13.356; 10.8079; 18.731 90; 102.739; 90 | 2637.3 | Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto Dimerization of boryl- and amino-substituted acetylenes by B<sub>2</sub>C<sub>2</sub> four-membered ring formation. Chemical communications (Cambridge, England), 2018, 54, 5819-5822 |
7123545 | CIF | C20 H19 N3 O8 S | P 1 21/a 1 | 14.4218; 10.7034; 15.0974 90; 118.257; 90 | 2052.8 | Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions Chemical Communications, 2019 |
7123546 | CIF | C20 H19 Br N2 O6 S | P 1 21/a 1 | 10.7343; 12.8521; 15.5222 90; 95.998; 90 | 2129.7 | Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions Chemical Communications, 2019 |
7123718 | CIF | C16 H20 B10 O2 | P 1 21/a 1 | 6.9997; 25.3248; 10.7346 90; 94.777; 90 | 1896.27 | Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B. Chemical Communications, 2019 |
7123838 | CIF | C56 H38 | P 1 21/a 1 | 20.704; 9.6416; 20.416 90; 111.978; 90 | 3779.3 | Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties Chemical Communications, 2019 |
7124657 | CIF | C21 H19 B O2 | P 1 21/a 1 | 14.9097; 6.6345; 16.6553 90; 92.822; 90 | 1645.52 | Wang, Taisheng; Zhang, Na; Zhang, Ke; Dai, Jingwen; Bai, Wei; Bai, Ruke Pyrene boronic acid cyclic ester: a new fast self-recovering mechanoluminescent material at room temperature. Chemical communications (Cambridge, England), 2016, 52, 9679-9682 |
7125362 | CIF | C92 H90 N8 O16 | P 1 21/a 1 | 13.051; 18.73; 19.67 90; 90.889; 90 | 4808 | Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation. Chemical communications (Cambridge, England), 2019, 55, 2992-2995 |
7125537 | CIF | C24 H32 N4 | P 1 21/a 1 | 16.123; 8.683; 16.789 90; 118.319; 90 | 2069.1 | Tripier, Raphaël; Lagrange, Jean-Marie; Espinosa, Enrique; Denat, Franck; Guilard, Roger From new tricyclic bisaminal derivatives to trans-N,N′-disubstituted cyclams Chemical Communications, 2001, 2728 |
7125583 | CIF | C48 H64 Mg N8 Na2 | P 1 21/a 1 | 15.83; 16.8625; 17.9095 90; 91.237; 90 | 4779.53 | Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E. Structurally-defined direct C-magnesiation and C-zincation of N-heterocyclic aromatic compounds using alkali-metal-mediated metallation. Chemical communications (Cambridge, England), 2007, 2864-2866 |
7129453 | CIF | C22 H18 F2 O4 | P 1 21/a 1 | 7.7331; 20.6428; 12.1338 90; 94.067; 90 | 1932.1 | Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Agarwal, Vishal; Sharada, Duddu Savaraiah Ester directed orthogonal dual C-H activation and ortho aryl C-H alkenylation via distal weak coordination Chemical Communications, 2022 |
7130045 | CIF | C16 H13 Br N2 O | P 1 21/a 1 | 11.589; 12.259; 11.867 90; 110.793; 90 | 1576.1 | Leleu, Ludovic; Martzel, Thomas; Fall, Arona; Sanselme, Morgane; Levacher, Vincent; Oudeyer, Sylvain; Brière, Jean-François Diastereoselective addition of redox active esters to azomethine imines by electrosynthesis Chemical Communications, 2022 |
7130770 | CIF | C15 H14 F N O4 | P 1 21/a 1 | 12.5797; 8.1298; 13.6651 90; 104.883; 90 | 1350.7 | Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes Chemical Communications, 2022 |
7131514 | CIF | C12 H19 Co N8 O | P 1 21/a 1 | 14.497; 8.5378; 14.317 90; 108.12; 90 | 1684.2 | Moskwa, Marcin; Sobieszczyk, Paweł; Mikurenda, Julia W.; Zieliński, Piotr; Rok, Magdalena Improper ferroelastic phase transition in a hydrogen-bonded metallocyanide-based (azetidinium)<sub>2</sub>(H<sub>3</sub>O)[Co(CN)<sub>6</sub>] framework. Chemical communications (Cambridge, England), 2023, 59, 5535-5538 |
7131556 | CIF | C38 H14 F10 N4 | P 1 21/a 1 | 7.5781; 25.7071; 14.971 90; 104.588; 90 | 2822.49 | Kielesiński, Łukasz; Summa, Francesco F.; Conradie, Jeanet; Honig, Hilah C.; Friedman, Ariel; Monaco, Gugliemo; Elbaz, Lior; Ghosh, Abhik; Gryko, Daniel T. Nonaromatic naphthocorroles. Chemical communications (Cambridge, England), 2023, 59, 5439-5442 |
7150113 | CIF | C12 H18 Br4 | P 1 21/a 1 | 9.9321; 13.1468; 11.9463 90; 109.373; 90 | 1471.57 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
7150115 | CIF | C12 H18 Br2 | P 1 21/a 1 | 7.733; 15.842; 10.62 90; 102.83; 90 | 1268.53 | Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & biomolecular chemistry, 2005, 3, 1880-1892 |
7150184 | CIF | C30 H32 F6 N2 Ni O8 S2 | P 1 21/a 1 | 11.503; 15.7; 18.53 90; 92.82; 90 | 3342 | Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione. Organic & biomolecular chemistry, 2005, 3, 2910-2913 |
7150212 | CIF | C22 H26 N2 O2 | P 1 21/a 1 | 21.854; 10.992; 7.77 90; 90.01; 90 | 1867 | Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B. Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases. Organic & biomolecular chemistry, 2005, 3, 2832-2841 |
7150277 | CIF | C11 H10 O3 | P 1 21/a 1 | 8.72; 12.944; 8.918 90; 100.47; 90 | 989.8 | Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films. Organic & biomolecular chemistry, 2005, 3, 3757-3766 |
7150312 | CIF | C36 H27 N O2 | P 1 21/a 1 | 22.3209; 5.822; 22.4854 90; 116.634; 90 | 2611.97 | Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander On the reaction of diphenylketene with isocyanides. Organic & biomolecular chemistry, 2005, 3, 4246-4251 |
7150317 | CIF | C10 H17 N3 O | P 1 21/a 1 | 11.185; 8.1266; 12.711 90; 107.343; 90 | 1102.9 | Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles. Organic & biomolecular chemistry, 2004, 2, 246-256 |
7150540 | CIF | C19 H18 N2 O2 | P 1 21/a 1 | 8.2446; 17.2928; 11.6833 90; 107.177; 90 | 1591.42 | O'Leary, Jane; Wallis, John D. Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case Organic & Biomolecular Chemistry, 2009, 7, 225-228 |
7150726 | CIF | C49 H65 F3 O16 | P 1 21/a 1 | 16.2859; 18.576; 17.0941 90; 107.105; 90 | 4942.68 | Tanima, Daisuke; Imamura, Yoko; Kawabata, Takeo; Tsubaki, Kazunori Development of highly sensitive and selective molecules for detection of spermidine and spermine Organic & Biomolecular Chemistry, 2009, 7, 4689-4694 |
7150947 | CIF | C20 H15 Cl N2 O4 | P 1 21/a 1 | 8.5421; 26.3062; 8.6602 90; 111.132; 90 | 1815.2 | Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Domingo, Luis R.; Mongin, Florence Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones Organic & Biomolecular Chemistry, 2008, 6, 3144-3157 |
7150993 | CIF | C20 H25 N O2 | P 1 21/a 1 | 10.8392; 28.0222; 12.2118 90; 110.557; 90 | 3473 | Aciro, Caroline; Davies, Stephen G.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Ammonium-directed dihydroxylation: metal-free synthesis of the diastereoisomers of 3-aminocyclohexane-1,2-diol Organic & Biomolecular Chemistry, 2008, 6, 3762-3770 |
7151032 | CIF | C13 H22 O4 | P 1 21/a 1 | 11.8532; 7.1565; 16.0428 90; 102.421; 90 | 1329.02 | Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M. Directed epoxidation of cyclohexa-1,4-dienes‒stereoselective formation of up to six contiguous stereogenic centres Organic & Biomolecular Chemistry, 2008, 6, 4426-4434 |
7151060 | CIF | C17 H26 O3 | P 1 21/a 1 | 12.301; 11.053; 13.202 90; 112.715; 90 | 1655.76 | Takagi, Ryukichi; Miwa, Yukiko; Nerio, Takashi; Inoue, Yuta; Matsumura, Shuji; Ohkata, Katsuo Stereochemical investigation on the construction of poly-functionalized bicyclo[3.3.1]nonenones by successive Michael reactions of 2-cyclohexenones. Organic & biomolecular chemistry, 2007, 5, 286-300 |
7151147 | CIF | C22 H31 N O6 S | P 1 21/a 1 | 10.2895; 10.2232; 22.4956 90; 94.284; 90 | 2359.7 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151149 | CIF | C17 H23 N O4 S | P 1 21/a 1 | 6.1394; 21.563; 13.0265 90; 102.48; 90 | 1683.8 | Walker, Stephen M.; Williams, Jodi T.; Russell, Alexander G.; Kariuki, Benson M.; Snaith, John S. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & biomolecular chemistry, 2007, 5, 2925-2931 |
7151152 | CIF | C25 H24 O4 | P 1 21/a 1 | 13.9345; 8.792; 16.3108 90; 96.0142; 90 | 1987.27 | Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N. Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group Organic & Biomolecular Chemistry, 2007, 5, 2606 |
7151169 | CIF | C44 H56 N8 O8 | P 1 21/a 1 | 11.0274; 8.9869; 21.255 90; 91.304; 90 | 2105.87 | Wilson, Jennifer M.; Giordani, Federica; Farrugia, Louis J.; Barrett, Michael P.; Robins, David J.; Sutherland, Andrew Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles. Organic & biomolecular chemistry, 2007, 5, 3651-3656 |
7151291 | CIF | C34 H39 N O2 | P 1 21/a 1 | 9.471; 30.489; 10.734 90; 114.03; 90 | 2831 | Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization. Organic & biomolecular chemistry, 2006, 4, 3406-3409 |
7151296 | CIF | C21 H20 O5 | P 1 21/a 1 | 9.6549; 12.9703; 14.7696 90; 108.643; 90 | 1752.5 | Casadesus, Meritxell; Coogan, Michael P.; Ooi, Li-Ling Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies. Organic & biomolecular chemistry, 2006, 4, 3822-3830 |
7151297 | CIF | C44 H48 O10 S2 | P 1 21/a 1 | 20.617; 9.336; 20.742 90; 95.882; 90 | 3971.4 | Geertsema, Edzard M.; Schoevaars, Anne Marie; Meetsma, Auke; Feringa, Ben L. Bisthioxanthylidene biscrown ethers as potential stereodivergent chiral ligands Organic & Biomolecular Chemistry, 2006, 4, 4101 |
7151414 | CIF | C8 H17 F2 O5 P | P 1 21/a 1 | 6.751; 24.363; 8.091 90; 101.75; 90 | 1302.9 | Arnaud Henry-dit-Quesnel; Loic Toupet; Jean-Claude Pommelet; Thierry Lequeux A difluorosulfide as a Freon-free source of phosphonodifluoromethyl carbanion Org. Biomol. Chem., 2003, 1, 2486-2491 |
7151417 | CIF | C27 H34 O3 Si | P 1 21/a 1 | 12.9389; 11.7515; 16.957 90; 111.055; 90 | 2406.2 | Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L. An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/ Organic & Biomolecular Chemistry, 2003, 1, 1842 |
7151466 | CIF | C14 H11 Cl2 N O4 | P 1 21/a 1 | 7.4491; 13.6937; 13.8646 90; 91.317; 90 | 1413.9 | Easton, Christopher J.; Edwards, Alison J.; McNabb, Stephen B.; Merrett, Martin C.; O'Connell, Jenny L.; Simpson, Gregory W.; Simpson, Jamie S.; Willis, Anthony C. Allylic halogenation of unsaturated amino acidsElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 14?20 and 24?26. See http://www.rsc.org/suppdata/ob/b3/b303719c/ Organic & Biomolecular Chemistry, 2003, 1, 2492 |
7151481 | CIF | C31 H57 Cl3 N2 P2 Pt S | P 1 21/a 1 | 11.0215; 21.108; 16.2925 90; 92.524; 90 | 3786.6 | Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene Organic & Biomolecular Chemistry, 2003, 1, 3054 |
7151497 | CIF | C11 H16 N4 O | P 1 21/a 1 | 10.483; 9.356; 12.297 90; 101.14; 90 | 1183.4 | Blake, Alexander J.; Clarke, David; Mares, Richard W.; McNab, Hamish Synthesis and chemistry of 3-tert-butyl-1,5-diaminopyrazole. Organic & biomolecular chemistry, 2003, 1, 4268-4274 |
7151507 | CIF | C112 H111 Cl3 N6 Si3 | P 1 21/a 1 | 32.9322; 8.629; 36.665 90; 99.019; 90 | 10290.3 | Krivokapic, Alexander; Anderson, Harry L. Synthesis and crystal structure of a meso-trialkynyl-[28]hexaphyrinThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory. Organic & Biomolecular Chemistry, 2003, 1, 3639 |
7151510 | CIF | C20 H23 N O4 | P 1 21/a 1 | 15.0086; 8.0675; 15.1036 90; 98.916; 90 | 1806.67 | John E. Moses; Jack E. Baldwin; Sébastien Brückner; Serena J. Eade; Robert M. Adlington Biomimetic studies on polyenes Org. Biomol. Chem., 2003, 1, 3670-3684 |
7151532 | CIF | C68 H48 Cl10 N4 O8 | P 1 21/a 1 | 14.02; 18.711; 14.289 90; 117.76; 90 | 3317 | Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/ Organic & Biomolecular Chemistry, 2003, 1, 3857 |
7151535 | CIF | C48 H18 Cl8 F12 N4 | P 1 21/a 1 | 14.995; 12.084; 15.045 90; 116.761; 90 | 2434.2 | Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/ Organic & Biomolecular Chemistry, 2003, 1, 3857 |
7151693 | CIF | C14 H12 N2 O4 S | P 1 21/a 1 | 13.483; 7.543; 14.765 90; 114.997; 90 | 1360.98 | Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J. On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines. Organic & biomolecular chemistry, 2011, 9, 1079-1084 |
7151696 | CIF | C38 H42 Cu2 N4 | P 1 21/a 1 | 14.2593; 12.1166; 19.4748 90; 101.738; 90 | 3294.38 | Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines. Organic & biomolecular chemistry, 2011, 9, 670-672 |
7151888 | CIF | C8 H7 N3 | P 1 21/a 1 | 11.299; 4.2309; 14.743 90; 90.229; 90 | 704.8 | Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides Organic & Biomolecular Chemistry, 2011, 9, 4671 |
7152085 | CIF | C22 H17 F3 N6 O | P 1 21/a 1 | 8.751; 10.6327; 21.676 90; 100.49; 90 | 1983.2 | Bergamaschi, Greta; Boiocchi, Massimo; Monzani, Enrico; Amendola, Valeria Pyridinium/urea-based anion receptor: methine formation in the presence of basic anions. Organic & biomolecular chemistry, 2011, 9, 8276-8283 |
7152179 | CIF | C7 H12 N2 S | P 1 21/a 1 | 5.135; 10.7533; 15.1732 90; 94.763; 90 | 834.94 | Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D. Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes. Organic & biomolecular chemistry, 2012, 10, 1093-1101 |
7152546 | CIF | C18 H25 N O2 | P 1 21/a 1 | 7.938; 23.823; 9.277 90; 104.96; 90 | 1694.9 | Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines. Organic & biomolecular chemistry, 2012, 10, 6866-6875 |
7152704 | CIF | C18 H11 Cl N2 O | P 1 21/a 1 | 11.0917; 17.5158; 16.208 90; 109.615; 90 | 2966.2 | Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes. Organic & biomolecular chemistry, 2012, 10, 8434-8444 |
7152937 | CIF | C16 H20 Cl2 N4 O | P 1 21/a 1 | 10.8452; 20.44; 8.5123 90; 106.969; 90 | 1804.8 | Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution. Organic & biomolecular chemistry, 2013, 11, 3692-3698 |
7153007 | CIF | C51 H76 N6 O11 | P 1 21/a 1 | 20.601; 10.491; 24.723 90; 100.277; 90 | 5257.5 | Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions. Organic & biomolecular chemistry, 2013, 11, 5435-5442 |
7153008 | CIF | C51 H68 N6 O7 | P 1 21/a 1 | 20.7295; 12.6213; 37.718 90; 100.908; 90 | 9690 | Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions. Organic & biomolecular chemistry, 2013, 11, 5435-5442 |
7153022 | CIF | C30 H18 Br N O3 | P 1 21/a 1 | 16.8022; 14.5818; 19.7887 90; 93.414; 90 | 4839.75 | Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis. Organic & biomolecular chemistry, 2013, 11, 5156-5161 |
7153297 | CIF | C10 H12 Cl N O4 | P 1 21/a 1 | 14.466; 6.5627; 12.39 90; 111.88; 90 | 1091.5 | Davis, Rohan A.; Carroll, Anthony R.; Andrews, Katherine T.; Boyle, Glen M.; Tran, Truc Linh; Healy, Peter C.; Kalaitzis, John A.; Shivas, Roger G. Pestalactams A-C: novel caprolactams from the endophytic fungus Pestalotiopsis sp. Organic & biomolecular chemistry, 2010, 8, 1785-1790 |
7153333 | CIF | C20 H19 N O5 S | P 1 21/a 1 | 14.0275; 7.7306; 18.294 90; 103.65; 90 | 1927.8 | Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds. Organic & biomolecular chemistry, 2010, 8, 2009-2011 |
7153364 | CIF | C12 H21 N O2 | P 1 21/a 1 | 8.3937; 11.5174; 13.4324 90; 100.112; 90 | 1278.39 | Robertson, Jeremy; Feast, George C.; White, Louise V.; Steadman, Victoria A.; Claridge, Timothy D. W. Structure and reactivity of bicyclic methylene aziridines prepared by intramolecular aziridination of allenes. Organic & biomolecular chemistry, 2010, 8, 3060-3063 |
7153515 | CIF | C22 H22 N2 O2 | P 1 21/a 1 | 14.9171; 12.9531; 19.9159 90; 107.734; 90 | 3665.33 | Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/. Organic & Biomolecular Chemistry, 2004, 2, 1962-1964 |
7153527 | CIF | C24 H20 N4 O | P 1 21/a 1 | 22.881; 6.314; 28.86 90; 109.86; 90 | 3921.4 | Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R. Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties Organic & Biomolecular Chemistry, 2004, 2, 3363-3367 |
7153540 | CIF | C17 H19 N O4 | P 1 21/a 1 | 7.309; 15.546; 13.8909 90; 104.34; 90 | 1529.2 | Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors Organic & Biomolecular Chemistry, 2004, 2, 3427-3431 |
7153627 | CIF | C13 H10 I N3 O | P 1 21/a 1 | 12.1661; 7.275; 14.9877 90; 111.517; 90 | 1234.09 | Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry, 2014, 12, 1475-1487 |
7153632 | CIF | C13 H6 F3 I2 N3 | P 1 21/a 1 | 13.3; 5.2093; 21.672 90; 95.208; 90 | 1495.3 | Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles. Organic & biomolecular chemistry, 2014, 12, 1475-1487 |
7153692 | CIF | C16 H16 O2 S | P 1 21/a 1 | 11.471; 7.889; 15.246 90; 93.54; 90 | 1377.05 | Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide. Organic & biomolecular chemistry, 2014, 12, 2180-2184 |
7153834 | CIF | C36 H39 Cl Hg O4 S4 | P 1 21/a 1 | 18.1361; 11.0596; 20.1127 90; 115.888; 90 | 3629.3 | Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations. Organic & biomolecular chemistry, 2014, 12, 5136-5143 |
7153852 | CIF | C34 H28 F12 N2 O2 S2 | P 1 21/a 1 | 9.4849; 18.4276; 19.2588 90; 92.1781; 90 | 3363.7 | Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P. Arylpyrrole oligomers as tunable anion receptors. Organic & biomolecular chemistry, 2014, 12, 5492-5499 |
7154033 | CIF | C36 H22 N2 O2 | P 1 21/a 1 | 7.4383; 12.2361; 27.524 90; 96.983; 90 | 2486.5 | Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes. Organic & biomolecular chemistry, 2014, 12, 8138-8141 |
7154067 | CIF | C36 H32 O8 S4 | P 1 21/a 1 | 7.6923; 46.482; 9.9383 90; 112.199; 90 | 3290.1 | Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands. Organic & biomolecular chemistry, 2014, 12, 8752-8763 |
7154367 | CIF | C20 H21 N O4 | P 1 21/a 1 | 9.106; 9.532; 20.806 90; 99.034; 90 | 1783.5 | Li, Gang; Li, Li; Huang, Haihong; Yin, Dali Ti(iv)-catalyzed cascade synthesis of tetrahydrofuro[3,2-d]oxazole from arene-1,4-diones. Organic & biomolecular chemistry, 2015, 13, 4418-4421 |
7154569 | CIF | C6 H5 N O S4 | P 1 21/a 1 | 10.4066; 7.3334; 12.2408 90; 104.422; 90 | 904.73 | Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D. Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors. Organic & biomolecular chemistry, 2015, 13, 8479-8486 |
7154771 | CIF | C12 H16 N2 O2 | P 1 21/a 1 | 10.604; 10.844; 11.111 90; 100.939; 90 | 1254.4 | Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides. Organic & biomolecular chemistry, 2015, 14, 694-700 |
7154840 | CIF | C18 H14 Br N | P 1 21/a 1 | 8.8066; 13.3703; 12.5739 90; 105.106; 90 | 1429.38 | Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J. Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines. Organic & biomolecular chemistry, 2016, 14, 1065-1090 |
7155150 | CIF | C28 H26 N4 O7 Ru | P 1 21/a 1 | 10.9419; 24.477; 11.0478 90; 118.723; 90 | 2594.8 | Yoshida, Ryota; Isozaki, Katsuhiro; Yokoi, Tomoya; Yasuda, Nobuhiro; Sadakane, Koichiro; Iwamoto, Takahiro; Takaya, Hikaru; Nakamura, Masaharu ONO-pincer ruthenium complex-bound norvaline for efficient catalytic oxidation of methoxybenzenes with hydrogen peroxide. Organic & biomolecular chemistry, 2016, 14, 7468-7479 |
7155473 | CIF | C16 H12 Cl N2 O2 Rh | P 1 21/a 1 | 7.875; 16.458; 12.568 90; 100.553; 90 | 1601.3 | Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes. Organic & biomolecular chemistry, 2017, 15, 1810-1820 |
7155505 | CIF | C11 H12 N2 O6 | P 1 21/a 1 | 7.8685; 15.9375; 10.112 90; 102.539; 90 | 1237.84 | Ramakrishna, Kankanala; Sivasankar, Chinnappan Iridium catalyzed acceptor/acceptor carbene insertion into N-H bonds in water. Organic & biomolecular chemistry, 2017, 15, 2392-2396 |
7155792 | CIF | C45 H51 B N2 S | P 1 21/a 1 | 10.337; 25.595; 14.097 90; 97.574; 90 | 3697.2 | Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region Org. Biomol. Chem., 2017 |
7155793 | CIF | C29 H27 B N4 S | P 1 21/a 1 | 11.733; 9.921; 21.775 90; 94.847; 90 | 2525.6 | Maeda, Chihiro; Nagahata, Keiji; Ema, Tadashi Carbazole-based BODIPYs with ethynyl substituents at the boron center: solid-state excimer fluorescence in the VIS/NIR region Org. Biomol. Chem., 2017 |
7156008 | CIF | C12 H8 I N S | P 1 21/a 1 | 14.189; 4.122; 19.078 90; 96.17; 90 | 1109.4 | Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Koketsu, Mamoru Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study. Organic & biomolecular chemistry, 2018, 16, 245-255 |
7156610 | CIF | C25 H21 Br N2 O8 | P 1 21/a 1 | 8.5538; 28.5184; 9.9217 90; 104.085; 90 | 2347.5 | Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S. A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures. Organic & biomolecular chemistry, 2019, 17, 3884-3893 |
7156738 | CIF | C10 H8 Cl2 O4 | P 1 21/a 1 | 7.1904; 17.064; 8.726 90; 100.039; 90 | 1054.3 | Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne Total synthesis of spiromastilactone A. Organic & biomolecular chemistry, 2019, 17, 3819-3824 |
7156739 | CIF | C26 H49 N O4 Si2 | P 1 21/a 1 | 12.4339; 19.941; 12.721 90; 96.173; 90 | 3135.8 | Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne Total synthesis of spiromastilactone A. Organic & biomolecular chemistry, 2019, 17, 3819-3824 |
7157759 | CIF | C16 H18 Cl N O6 | P 1 21/a 1 | 11.042; 8.8933; 16.9598 90; 95.377; 90 | 1658.12 | Bakthadoss, Manickam; Mushaf, Mohammad Intramolecular [3 + 2] nitrone cycloaddition reaction: highly regio and diastereoselective synthesis of bicyclo[3.2.1]octane scaffolds. Organic & biomolecular chemistry, 2020, 18, 9653-9659 |
7159283 | CIF | C18 H13 N5 O2 | P 1 21/a 1 | 15.7306; 14.9839; 7.2686 90; 111.748; 90 | 1591.31 | Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A. Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines. Organic & biomolecular chemistry, 2023, 21, 3604-3614 |
7159355 | CIF | C49 H64 O10 S4 | P 1 21/a 1 | 11.7275; 35.321; 12.2803 90; 101.324; 90 | 4987.8 | Broftová, N; Landovský, T; Dvořáková, H; Eigner, V.; Krupička, M; Lhoták, P Stereoselective oxidation of phenoxathiin-based thiacalix[4]arenes - stereomutation of sulfoxide groups. Organic & biomolecular chemistry, 2023, 21, 4620-4630 |
7200356 | CIF | C21 H20 Cl N4 O S | P 1 21/a 1 | 7.377; 8.038; 33.627 90; 95.6; 90 | 1984 | Portell, Anna; Barbas, Rafael; Font-Bardia, Mercè; Dalmases, Pere; Prohens, Rafel; Puigjaner, Cristina Ziprasidone malate, a new trimorphic salt with improved aqueous solubility CrystEngComm, 2009, 11, 791 |
7200773 | CIF | C24 H16 O | P 1 21/a 1 | 11.6222; 13.9067; 10.3985 90; 102.513; 90 | 1640.75 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7200774 | CIF | C24 H16 O | P 1 21/a 1 | 11.6186; 13.9166; 10.419 90; 102.484; 90 | 1644.8 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7200775 | CIF | C24 H16 O | P 1 21/a 1 | 11.6272; 13.9254; 10.4577 90; 102.408; 90 | 1653.7 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7200776 | CIF | C24 H16 O | P 1 21/a 1 | 11.6561; 13.9147; 10.5076 90; 102.099; 90 | 1666.4 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7200777 | CIF | C24 H16 O | P 1 21/a 1 | 11.7174; 13.8685; 10.5133 90; 101.625; 90 | 1673.4 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7200778 | CIF | C24 H16 O | P 1 21/a 1 | 11.8493; 13.8243; 10.4921 90; 101.018; 90 | 1687 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7200779 | CIF | C24 H16 O | P 1 21/a 1 | 11.8957; 13.8099; 10.4687 90; 100.865; 90 | 1689 | Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones CrystEngComm, 2009, 11, 1235 |
7201049 | CIF | C26 H16 Cl4 Fe O4 S14 Se4 | P 1 21/a 1 | 15.993; 14.382; 20.73 90; 114.568; 90 | 4336.5 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
7201050 | CIF | C26 H16 Cl4 Fe O4 S14 Se4 | P 1 21/a 1 | 15.961; 14.0875; 20.2992 90; 113.437; 90 | 4187.7 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
7201051 | CIF | C26 H16 Cl4 Ga O4 S14 Se4 | P 1 21/a 1 | 16.0581; 14.4343; 20.866 90; 114.688; 90 | 4394.4 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
7201052 | CIF | C26 H16 Cl4 Ga O4 S14 Se4 | P 1 21/a 1 | 15.9774; 14.1318; 20.3734 90; 113.461; 90 | 4219.8 | Shao, Xiangfeng; Yamaji, Yuhta; Fujiwara, Hideki; Sugimoto, Toyonari Interconvertible bistability in magnetic organic conductors based on bent donor molecules, EDO-EDSe-TTFVS(O) Journal of Materials Chemistry, 2009, 19, 5837 |
7201327 | CIF | C30 H20 Cl3 O5 P S | P 1 21/a 1 | 10.091; 24.04; 11.305 90; 94.129; 90 | 2735.3 | Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S. A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts CrystEngComm, 2009, 11, 2588 |
7201672 | CIF | C14 H18 Mg O6 | P 1 21/a 1 | 8.31089; 12.15064; 8.06761 90; 106.723; 90 | 780.234 | Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker Novel linear acetylpentanedionato complexes for metal‒organic framework construction CrystEngComm, 2008, 10, 327 |
7201756 | CIF | C8 H4 F N O2 | P 1 21/a 1 | 7.1988; 12.7677; 14.9468 90; 91.702; 90 | 1373.19 | Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K. Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening CrystEngComm, 2008 |
7201785 | CIF | ? | P 1 21/a 1 | 14.9227; 4.41484; 10.3539 90; 105.55; 90 | 657.16 | Janbon, Sophie; Davey, Roger J.; Shankland, Kenneth The crystal structure of a metastable polymorph of para-azoxyanisole CrystEngComm, 2008, 10, 279 |
7201826 | CIF | C32 H33 Cl6 N S Sb | P 1 21/a 1 | 13.7062; 21.5592; 22.5411 90; 94.493; 90 | 6640.3 | Oka, Hiroyuki Synthesis and through-bond spin interaction of stable 1,3-phenylene linked poly(phenothiazine cation radical) Journal of Materials Chemistry, 2008, 18, 1927 |
7201886 | CIF | C23 H28 O6 | P 1 21/a 1 | 12.3702; 14.102; 13.0089 90; 108.853; 90 | 2147.6 | Sureshan, Kana M.; Uchimaru, Tadafumi; Yao, Yonghui; Watanabe, Yutaka Strength from weakness: CH⋯π stabilized conformational tuning of benzyl ethers and a consequent co-operative edge-to-face CH⋯π network CrystEngComm, 2008, 10, 493 |
7201919 | CIF | C18 H34 Cl2 N2 O4 Zn | P 1 21/a 1 | 13.175; 10.498; 16.82 90; 108.91; 90 | 2200.8 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin CrystEngComm, 2008, 10, 469 |
7201920 | CIF | C18 H34 Cl2 Cu N2 O4 | P 1 21/a 1 | 11.865; 6.75; 15.109 90; 112.87; 90 | 1114.9 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin CrystEngComm, 2008, 10, 469 |
7202536 | CIF | C20 H15 N S | P 1 21/a 1 | 14.178; 14.05; 15.909 90; 93.62; 90 | 3163 | McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes Journal of Materials Chemistry, 2007, 17, 2088 |
7202726 | CIF | C24 H22 S2 | P 1 21/a 1 | 9.242; 5.718; 18.205 90; 100.06; 90 | 947.3 | Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo Molecular ordering in bis(phenylenyl)bithiophenes Journal of Materials Chemistry, 2007, 17, 3427 |
7202729 | CIF | C24 H22 S2 | P 1 21/a 1 | 9.109; 5.7272; 18.159 90; 101.54; 90 | 928.2 | Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo Molecular ordering in bis(phenylenyl)bithiophenes Journal of Materials Chemistry, 2007, 17, 3427 |
7202909 | CIF | C20 H24 O2 | P 1 21/a 1 | 11.5009; 9.8934; 14.9322 90; 112.168; 90 | 1573.44 | Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state CrystEngComm, 2007, 9, 786 |
7202910 | CIF | C24 H26 O4 | P 1 21/a 1 | 10.146; 17.455; 12.088 90; 110.9; 90 | 1999.9 | Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state CrystEngComm, 2007, 9, 786 |
7202978 | CIF | C10 H6 N4 O5 | P 1 21/a 1 | 9.873; 10.671; 10.578 90; 104.58; 90 | 1078.6 | O'Leary, Jane; Wallis, John D. A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides CrystEngComm, 2007, 9, 941 |
7202980 | CIF | C12 H10 N4 O5 | P 1 21/a 1 | 8.167; 13.4699; 11.3597 90; 94.7505; 90 | 1245.37 | O'Leary, Jane; Wallis, John D. A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides CrystEngComm, 2007, 9, 941 |
7203357 | CIF | C16 H14 Cu O6 | P 1 21/a 1 | 9.454; 4.905; 15.495 90; 102.564; 90 | 701.3 | Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc An approach to chiral magnets using ?-hydroxycarboxylates Journal of Materials Chemistry, 2006, 16, 2715 |
7203388 | CIF | C12 H10 F3 N O2 | P 1 21/a 1 | 7.925; 10.643; 13.886 90; 99.478; 90 | 1155.2 | Kayaki, Yoshihito; Yamamoto, Masafumi; Suzuki, Tomoyuki; Ikariya, Takao Carboxylative cyclization of propargylamines with supercritical carbon dioxide Green Chemistry, 2006, 8, 1019 |
7203654 | CIF | C13 H19 N3 O4 S | P 1 21/a 1 | 11.094; 10.685; 12.71 90; 102.954; 90 | 1468.29 | Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E. Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure CrystEngComm, 2006, 8, 931 |
7203823 | CIF | C26 H20 O2 | P 1 21/a 1 | 13.848; 9.052; 17.146 90; 114.32; 90 | 1959 | Pedro D. Vaz; Mariela Nolasco; Nelson Fonseca; Ana M. Amado; António M. Amorim da Costa; Vitor Félix; Michael G. B. Drew; Brian J. Goodfellow; Paulo J. A. Ribeiro-Claro C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study. Physical chemistry chemical physics : PCCP, 2005, 7, 3027-3034 |
7203851 | CIF | C20 H30 Au2 S6 W2 | P 1 21/a 1 | 17.123; 9.373; 18.019 90; 107.43; 90 | 2759.2 | Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2 Physical Chemistry Chemical Physics, 2003, 5, 5127 |
7203950 | CIF | C15 H26 O3 | P 1 21/a 1 | 10.453; 23.017; 12.223 90; 102.83; 90 | 2867.4 | Muri, Estela; Kanazawa, Alice; Barreiro, Eliezer; Greene, Andrew E. Asymmetric synthesis of 3β-angeloyloxy-4β-hydroxyeudesman-8-one, purported sesquiterpene from Pluchea quitoc † Journal of the Chemical Society, Perkin Transactions 1, 2000, 731 |
7203974 | CIF | C45.5 H59 Fe2 N Ni O0.5 S8 | P 1 21/a 1 | 19.503; 10.841; 24.137 90; 97.13; 90 | 5064 | Lee, Ha-Jin; Noh, Dong-Youn Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes Journal of Materials Chemistry, 2000, 10, 2167 |
7204004 | CIF | C11 H11 B F4 N O S8 | P 1 21/a 1 | 20.944; 9.861; 9.404 90; 95.61; 90 | 1932.9 | Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt Journal of Materials Chemistry, 2000, 10, 2277 |
7204085 | CIF | C22 H19 B N2 | P 1 21/a 1 | 7.1341; 15.305; 15.559 90; 90.138; 90 | 1698.8 | Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni The complexation of tetraphenylborate with organic N-heteroaromatic cations Journal of the Chemical Society, Perkin Transactions 2, 2001, 2364 |
7204131 | CIF | ? | P 1 21/a 1 | 10.16; 13.851; 13.678 90; 96.57; 90 | 1912.2 | Yamochi, Hideki; Sogoshi, Norihito; Simizu, Yasuhiro; Saito, Gunzi; Matsumoto, Kiyoshi The crystal and electronic structure analysis of (OMTTF)2[Ni(tdas)2] Journal of Materials Chemistry, 2001, 11, 2216 |
7204156 | CIF | C18 H34 O4 | P 1 21/a 1 | 8.359; 13.505; 9.538 90; 111.74; 90 | 1000.1 | John R. Lindsay Smith; Eiji Nagatomi; Angela Stead; David J. Waddington The autoxidation of aliphatic esters. Part 3. The reactions of alkoxyl and methyl radicals, from the thermolysis and photolysis of peroxides, with neopentyl esters J. Chem. Soc., Perkin Trans. 2, 2001, 1527-1533 |
7204245 | CIF | C14 H18 O2 S | P 1 21/a 1 | 12.719; 19.14; 11.106 90; 102.55; 90 | 2639 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
7204246 | CIF | C14 H18 O2 S | P 1 21/a 1 | 12.774; 9.135; 11.388 90; 104.79; 90 | 1284.8 | Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C. Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol Journal of the Chemical Society, Perkin Transactions 2, 2002, 296 |
7204249 | CIF | C58 H38 N14 | P 1 21/a 1 | 9.4955; 27.5691; 17.9795 90; 92.8582; 90 | 4700.86 | Heirtzler, Fenton; Neuburger, Markus; Kulike, Klaus Insights on the synthesis and organisational phenomena of twisted pyrazine‒pyridine hybrids Journal of the Chemical Society, Perkin Transactions 1, 2002, 809 |
7204404 | CIF | C14 H11 Cl3 N2 O3 | P 1 21/a 1 | 13.536; 7.787; 14.769 90; 97.62; 90 | 1543 | Sam, Najat; Elkadiri, Sghir; Bozec, Hubert Le; Toupet, Loic; Daoudi, Maria; Bitit, Najib; Hadda, Taibi Ben; Dixneuf, Pierre H. Novel trichloroindolizine derivatives via intramolecular acylation of a bis(chloroacyl)bipyridine Journal of the Chemical Society, Perkin Transactions 1, 2002, 1688 |
7204469 | CIF | C10 H10 O3 | P 1 21/a 1 | 7.171; 17.69; 8.092 90; 117.774; 90 | 908 | Samantha D. M. Atkinson (née Allen); Matthew J. Almond; Graham A. Bowmaker; Michael G. B. Drew; Emma J. Feltham; Peter Hollins; Samantha L. Jenkins; Karen S. Wiltshire The photodimerisation of the chloro-, methoxy- and nitro-derivatives of trans-cinnamic acid: a study of single crystals by vibrational microspectroscopy J. Chem. Soc., Perkin Trans. 2, 2002, 1533-1537 |
7204478 | CIF | C23 H21 B F N3 O4 | P 1 21/a 1 | 11.229; 15.668; 12.587 90; 108.23; 90 | 2103.36 | Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives J. Mater. Chem., 2002, 12, 2898-2903 |
7204479 | CIF | C23 H21 B Br N3 O4 | P 1 21/a 1 | 11.27; 16.565; 12.27 90; 107.45; 90 | 2185 | Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives J. Mater. Chem., 2002, 12, 2898-2903 |
7204512 | CIF | C11 H7 Cl2 N O3 | P 1 21/a 1 | 10.4382; 10.2875; 11.4036 90; 109.859; 90 | 1151.73 | Lee, Connie K. Y.; Easton, Christopher J.; Gebara-Coghlan, Mariana; Radom, Leo; Scott, Anthony P.; Simpson, Gregory W.; Willis, Anthony C. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society, Perkin Transactions 2, 2002, 2031 |
7204524 | CIF | C20 H17 N3 O2 S | P 1 21/a 1 | 12.524; 11.088; 12.935 90; 99.75; 90 | 1770.3 | Butler, Richard N.; Smyth, Georgina M.; McArdle, Patrick; Cunningham, Desmond A new tricyclic ring and a nitrogen???sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles Journal of the Chemical Society, Perkin Transactions 1, 2002, 2851 |
7204545 | CIF | C5 H7 Ag O2 | P 1 21/a 1 | 5.965; 8.956; 10.292 90; 91.51; 90 | 549.63 | Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates Journal of Materials Chemistry, 2003, 13, 563 |
7204582 | CIF | C17 H20 N3 O2 | P 1 21/a 1 | 12.284; 12.657; 10.953 90; 111.72; 90 | 1582.1 | Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada Design and preparation of pyrrole-based spin-polarized donors J. Mater. Chem., 2003, 13, 1011-1022 |
7204658 | CIF | H12 Mn3 N2 O16 P4 | P 1 21/a 1 | 9.461; 8.3565; 9.477 90; 99.908; 90 | 738.08 | Chippindale, Ann M.; Gaslain, Fabrice O. M.; Bond, Andrew D.; Powell, Anthony V. Synthesis, structure and magnetic characterisation of a new layered ammonium manganese(ii) diphosphate hydrate, (NH4)2[Mn3(P2O7)2(H2O)2]Electronic supplementary information (ESI) available: powder XRD data, atomic coordinates and thermal parameters, IR data, bond valence calculations, TGA. See http://www.rsc.org/suppdata/jm/b3/b304003h/ Journal of Materials Chemistry, 2003, 13, 1950 |
7204765 | CIF | C32 H24 N2 O4 S6 | P 1 21/a 1 | 11.679; 7.704; 16.835 90; 93.35; 90 | 1512.1 | Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes J. Mater. Chem., 2004, 14, 421-427 |
7204923 | CIF | C52 H36 As F6 N4 O S18 | P 1 21/a 1 | 27.99; 7.946; 13.357 90; 103.415; 90 | 2889.7 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204925 | CIF | C52 H36 B F4 N4 O S18 | P 1 21/a 1 | 27.78; 7.826; 13.346 90; 101.99; 90 | 2838.2 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204926 | CIF | C52 H34 F6 N4 O P S18 | P 1 21/a 1 | 27.866; 7.926; 13.3035 90; 103.59; 90 | 2856 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204927 | CIF | C51 H34 F6 N4 O2 P S18 | P 1 21/a 1 | 27.879; 7.954; 13.337 90; 103.61; 90 | 2874 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204928 | CIF | C52 H36 F6 N4 O P S18 | P 1 21/a 1 | 27.665; 7.781; 13.3065 90; 103.709; 90 | 2782.8 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204929 | CIF | C52 H34 F6 N4 O P S18 | P 1 21/a 1 | 27.972; 7.934; 13.366 90; 102.931; 90 | 2891.1 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204930 | CIF | C52 H36 As F6 N4 O S18 | P 1 21/a 1 | 27.712; 7.787; 13.3297 90; 103.888; 90 | 2792.4 | Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole] Journal of Materials Chemistry, 2000, 10, 2716 |
7204948 | CIF | H4 O14 P2 Pb2 V2 | P 1 21/a 1 | 10.0083; 10.14; 10.569 90; 93.89; 90 | 1070.1 | Leclaire, Andre; Chardon, Josiane; Raveau, Bernard Hydrothermal synthesis and crystal structure of a lead vanadium monophosphate hydrate with an open structure: Pb2V2O4(PO4)2·2H2O Journal of Materials Chemistry, 2001, 11, 1482 |
7205003 | CIF | C18 H22 O7 | P 1 21/a 1 | 11.628; 11.417; 14.112 90; 101.4; 90 | 1837 | Al-Busafi, Saleh; Doncaster, Jeremy R.; Drew, Michael G. B.; Regan, Andrew C.; Whitehead, Roger C. Exploitation of chemical predisposition in synthesis: an approach to the manzamenones Journal of the Chemical Society, Perkin Transactions 1, 2002, 476 |
7205599 | CIF | C36 H32 Cl2 N4 O8 S8 Zn | P 1 21/a 1 | 9.982; 14.264; 14.747 90; 101.191; 90 | 2059.8 | Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties CrystEngComm, 2011, 13, 2521 |
7206388 | CIF | C36 H50 N6 O2 | P 1 21/a 1 | 8.248; 23.4817; 9.0521 90; 94.551; 90 | 1747.66 | Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives CrystEngComm, 2011, 13, 5374 |
7206786 | CIF | C16 H22 Br2 Cl6 N4 O4 | P 1 21/a 1 | 18.0736; 6.149; 23.5057 90; 97.344; 90 | 2590.87 | Raatikainen, Kari; Rissanen, Kari Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds CrystEngComm, 2011, 13, 6972 |
7207237 | CIF | C10 H10 Cu2 N6 O6 | P 1 21/a 1 | 14.897; 5.819; 17.441 90; 107.581; 90 | 1441.3 | Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents CrystEngComm, 2012, 14, 1345 |
7207744 | CIF | C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 | P 1 21/a 1 | 20.403; 26.51; 30.721 90; 99.49; 90 | 16389 | Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network CrystEngComm, 2012, 14, 3096 |
7207981 | CIF | C14 H11 O8 S4 | P 1 21/a 1 | 11.4823; 13.8691; 11.8073 90; 113.293; 90 | 1727.04 | Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals CrystEngComm, 2012, 14, 3875 |
7207983 | CIF | C60 H41 O12 S32 | P 1 21/a 1 | 12.084; 20.891; 15.674 90; 103.294; 90 | 3850.8 | Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals CrystEngComm, 2012, 14, 3875 |
7208147 | CIF | C26 H23 N4 O | P 1 21/a 1 | 7.3261; 29.785; 9.8773 90; 109.281; 90 | 2034.41 | Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin Tuning the sensitivity of fluorophore‒nitroxide radicals Journal of Materials Chemistry, 2012, 22, 13260 |
7208148 | CIF | C26 H23 N4 O2 | P 1 21/a 1 | 7.4598; 29.3972; 10.0132 90; 109.821; 90 | 2065.78 | Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin Tuning the sensitivity of fluorophore‒nitroxide radicals Journal of Materials Chemistry, 2012, 22, 13260 |
7208579 | CIF | C23 H28 Cl N3 O3 S | P 1 21/a 1 | 8.964; 30.082; 9.428 90; 115.94; 90 | 2286 | Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution CrystEngComm, 2012, 14, 6035 |
7208836 | CIF | C20 H16 N2 O4 S6 | P 1 21/a 1 | 17.14; 7.7891; 17.338 90; 102.363; 90 | 2261 | Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases. Physical chemistry chemical physics : PCCP, 2012, 14, 16229-16235 |
7208987 | CIF | C42 H42 Gd2 O24 | P 1 21/a 1 | 9.9474; 15.6416; 28.7511 90; 95.117; 90 | 4455.65 | Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand CrystEngComm, 2013, 15, 706 |
7211240 | CIF | C10 H9 Bi Br4 N2 O | P 1 21/a 1 | 8.4049; 21.2014; 9.3965 90; 107.241; 90 | 1599.2 | Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks CrystEngComm, 2013, 15, 8565 |
7212208 | CIF | C19 H23 Cl2 O | P 1 21/a 1 | 10.861; 17.249; 18.531 90; 96.916; 90 | 3446.4 | Takahashi, Hiroki; Ito, Yoshikatsu Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone CrystEngComm, 2010, 12, 1628 |
7212400 | CIF | C43 H34 N4 | P 1 21/a 1 | 16.5817; 11.9938; 17.3483 90; 100.137; 90 | 3396.33 | Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability. Physical chemistry chemical physics : PCCP, 2010, 12, 7772-7774 |
7212401 | CIF | C42 H34 N4 O2 | P 1 21/a 1 | 16.5256; 12.1737; 17.4298 90; 100.75; 90 | 3444.95 | Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability. Physical chemistry chemical physics : PCCP, 2010, 12, 7772-7774 |
7212497 | CIF | C11 H7 N S4 | P 1 21/a 1 | 11.767; 8.302; 12.991 90; 111.53; 90 | 1180.5 | Riobé, François; Avarvari, Narcis; Grosshans, Philippe; Sidorenkova, Helena; Berclaz, Théo; Geoffroy, Michel Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies. Physical chemistry chemical physics : PCCP, 2010, 12, 9650-9660 |
7212681 | CIF | C3 H7 N O2 S | P 1 21/a 1 | 9.6352; 4.9435; 12.8853 90; 121.808; 90 | 521.57 | Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V. Low temperature/high pressure polymorphism in dl-cysteine CrystEngComm, 2010, 12, 2551 |
7212682 | CIF | C3 H7 N O2 S | P 1 21/a 1 | 9.712; 4.9755; 13.107 90; 121.849; 90 | 538 | Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V. Low temperature/high pressure polymorphism in dl-cysteine CrystEngComm, 2010, 12, 2551 |
7213015 | CIF | C13 H13 N3 O2 | P 1 21/a 1 | 12.022; 8.616; 13.244 90; 114.22; 90 | 1251.1 | Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives Journal of the Chemical Society, Perkin Transactions 2, 1999, 1481 |
7213087 | CIF | C25 H23 Br | P 1 21/a 1 | 18.639; 10.296; 9.869 90; 96.77; 90 | 1880.7 | Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro Novel rearrangement of conformationally restrained [3.3]orthocyclophanes Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101 |
7213088 | CIF | C25 H23 Br | P 1 21/a 1 | 9.376; 23.622; 9.288 90; 112.03; 90 | 1906.9 | Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro Novel rearrangement of conformationally restrained [3.3]orthocyclophanes Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101 |
7213108 | CIF | C32 H30 S8 | P 1 21/a 1 | 13.684; 5.827; 20.132 90; 91.76; 90 | 1604.5 | Antolini, Luciano; Borsari, Marco; Goldoni, Francesca; Iarossi, Dario; Mucci, Adele; Schenetti, Luisa Synthesis, structural characterization and electronic properties of 3,3″″′-bis(butylsulfanyl)-2,2′∶5′,2″∶5″,2‴∶5‴,2″″∶5″″,2‴″-sexithiophene Journal of the Chemical Society, Perkin Transactions 1, 1999, 3207 |
7213127 | CIF | C27 H42 O4 S Si | P 1 21/a 1 | 15.048; 11.327; 16.988 90; 97.02; 90 | 2873.9 | Fujishima, Hiroshi; Takeshita, Hiroshi; Suzuki, Shuichi; Toyota, Masahiro; Ihara, Masataka Hexamethyldisilazanes mediated one-pot intramolecular Michael addition‒olefination reactions leading to exo-olefinated bicyclo[6.4.0]dodecanes Journal of the Chemical Society, Perkin Transactions 1, 1999, 2609 |
7213142 | CIF | C8 H14 N8 O4 | P 1 21/a 1 | 7.265; 12.408; 14.529 90; 96.35; 90 | 1301.7 | Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C. Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles Journal of the Chemical Society, Perkin Transactions 1, 1999, 3507 |
7213157 | CIF | C24 H32 N4 O3 | P 1 21/a 1 | 13.465; 12.608; 14.504 90; 116.85; 90 | 2196.8 | Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives Journal of the Chemical Society, Perkin Transactions 1, 1999, 3499 |
7213207 | CIF | C14.5 H14 Cl N3 O4 | P 1 21/a 1 | 9.5471; 14.619; 11.4954 90; 97.993; 90 | 1588.82 | Murashima, Takashi; Tamai, Ryuji; Nishi, Keiji; Nomura, Kentaroh; Fujita, Ken-ichi; Uno, Hidemitsu; Ono, Noboru Synthesis and X-ray structure of stable 2H-isoindoles Journal of the Chemical Society, Perkin Transactions 1, 2000, 995 |
7213282 | CIF | C10 H12 O2 | P 1 21/a 1 | 6.517; 18.98; 6.754 90; 107.16; 90 | 798.2 | Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka 7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study † Journal of the Chemical Society, Perkin Transactions 2, 2000, 1483 |
7213288 | CIF | C8 Cl6 O2 S2 | P 1 21/a 1 | 7.341; 13.56; 7.471 90; 118.44; 90 | 653.9 | Skramstad, Jan; Lunde, Andreas; Hope, Håkon; Bjørnstad, Vidar; Frøyen, Paul Chlorinated thiophenes. Part 2. Trihalogenated hydroxythiophenes; preparation, reactions and tautomeric properties Journal of the Chemical Society, Perkin Transactions 2, 2000, 1453 |
7213393 | CIF | C14 H9 Cl2 N O2 | P 1 21/a 1 | 22.123; 7.04; 15.937 90; 92.8; 90 | 2479.2 | Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter A novel annelation to quinolines and isoquinolines under Friedel‒Crafts conditions: a one-step synthesis of functionalized pyridoquinolines and pyridoisoquinolines Journal of the Chemical Society, Perkin Transactions 1, 2000, 2898 |
7213414 | CIF | C6 H15 O5 P S | P 1 21/a 1 | 10.074; 8.357; 13.991 90; 108.46; 90 | 1117.3 | Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1 Journal of the Chemical Society, Perkin Transactions 2, 2001, 97 |
7213466 | CIF | C16 H17 N S2 | P 1 21/a 1 | 7.892; 15.17; 12.017 90; 99.496; 90 | 1419 | Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes Journal of the Chemical Society, Perkin Transactions 2, 2001, 934 |
7213499 | CIF | C14 H15 N O8 | P 1 21/a 1 | 9.917; 11.62; 13.983 90; 107.4; 90 | 1537.6 | Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes Journal of the Chemical Society, Perkin Transactions 1, 2001, 3382-3392 |
7213539 | CIF | C19 H17 N O4 | P 1 21/a 1 | 8.117; 19.978; 19.981 90; 92.91; 90 | 3236 | Habata, Yoichi; Fukuda, Yoji; Akabori, Sadatoshi; Bradshaw, Jerald S. Alkali metal ion selectivities of podands that form pseudo-cyclic structures by intramolecular hydrogen bonding Journal of the Chemical Society, Perkin Transactions 1, 2002, 865 |
7214026 | CIF | C2 H5 N3 O3 P S | P 1 21/a 1 | 6.2442; 13.1523; 8.5929 90; 96.82; 90 | 700.7 | Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I. Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties CrystEngComm, 2014, 16, 1763 |
7214222 | CIF | C7 H12 Mn O5 | P 1 21/a 1 | 7.9692; 9.1132; 12.9102 90; 102.204; 90 | 916.41 | Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing CrystEngComm, 2014, 16, 2766 |
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 |
7228326 | CIF | C30 H62 Co N3 O6 S2 Si2 | P 1 21/a 1 | 9.592; 33.01; 14.296 90; 103.94; 90 | 4393 | Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands CrystEngComm, 2017 |
7228637 | CIF | F4 K Mn | P 1 21/a 1 | 7.699; 7.644; 5.769 90; 90.54; 90 | 339.5 | Molinier, Michel; Massa, Werner The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs) Zeitschrift fur Naturforschung, 1992, 783-788 |
7228638 | CIF | F4 Mn Rb | P 1 21/a 1 | 7.822; 7.777; 6.05 90; 90.83; 90 | 368 | Molinier, Michel; Massa, Werner The crystal structures of the tetrafluoromanganates(III) AMnF4 (A = K, Rb, Cs) Zeitschrift fur Naturforschung, 1992, 783-788 |
7229962 | CIF | C13 H16 N2 O3 | P 1 21/a 1 | 7.339; 14.815; 11.777 90; 97.495; 90 | 1269.5 | Dankhoff, Katja; Weber, Birgit Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties CrystEngComm, 2018, 20, 818 |
7230389 | CIF | C36 H28 Br0.5 N3 O12 | P 1 21/a 1 | 12.854; 9.8269; 14.2696 90; 94.215; 90 | 1797.6 | Bakthadoss, Manickam; Mushaf, Mohammad A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds RSC Advances, 2018, 8, 12152 |
7230639 | CIF | C24 H15 N3 O13 Tb | P 1 21/a 1 | 15.308; 15.9; 11.58 90; 118.12; 90 | 2485.8 | Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand RSC Advances, 2018, 8, 17497 |
7231013 | CIF | C9 H21 Cl2 N3 O6 Sr | P 1 21/a 1 | 8.793; 10.3957; 17.9 90; 91.982; 90 | 1635.2 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
7231015 | CIF | C9 H21 Cl2 N3 O6 Sr | P 1 21/a 1 | 8.7535; 10.3752; 17.8337 90; 91.867; 90 | 1618.8 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
7231108 | CIF | C40 H30 Br0 N8 O6 Re2 S4 | P 1 21/a 1 | 10.2951; 16.0225; 13.4259 90; 104.251; 90 | 2146.5 | Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M. Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups CrystEngComm, 2018, 20, 4781 |
7233195 | CIF | C30 H38 N2 O2 | P 1 21/a 1 | 7.682; 27.931; 12.387 90; 97.151; 90 | 2637 | Tomohiro Hirade; Yumi Okui; Mina Han A design strategy for stable light-sensitive palladium complexes Journal of Materials Chemistry C, 2013, 1, 2672-2679 |
7233197 | CIF | C48 H46 Er F9 N2 O6 | P 1 21/a 1 | 16.463; 14.2801; 21.6052 90; 99.901; 90 | 5003.6 | Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices Journal of Materials Chemistry C, 2013, 1, 2725-2734 |
7233217 | CIF | C20 H8 N2 S4 | P 1 21/a 1 | 17.064; 3.894; 25.72 90; 108.82; 90 | 1618 | Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives Journal of Materials Chemistry C, 2013, 1, 3467-3481 |
7233680 | CIF | C12 H15 Au Cl N O | P 1 21/a 1 | 15.307; 5.912; 15.3931 90; 106.796; 90 | 1333.6 | Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes Journal of Materials Chemistry C, 2014, 2, 3549-3555 |
7233681 | CIF | C13 H17 Au Cl N O | P 1 21/a 1 | 20.744; 7.279; 21.511 90; 116.686; 90 | 2902.1 | Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes Journal of Materials Chemistry C, 2014, 2, 3549-3555 |
7234454 | CIF | C23 H21 N3 O2 | P 1 21/a 1 | 7.4142; 16.069; 15.802 90; 93.08; 90 | 1879.9 | F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization Journal of Materials Chemistry C, 2015, 3, 9425-9434 |
7235021 | CIF | C20 H32 Cl4 Cu N2 | P 1 21/a 1 | 7.262; 7.4725; 23.2818 90; 91.999; 90 | 1262.62 | Bo Huang; Bao-Ying Wang; Zi-Yi Du; Wei Xue; Wei-Jian Xu; Yu-Jun Su; Wei-Xiong Zhang; Ming-Hua Zeng; Xiao-Ming Chen Importing spontaneous polarization into a Heisenberg ferromagnet for a potential single-phase multiferroic Journal of Materials Chemistry C, 2016, 4, 8704-8710 |
7235547 | CIF | C78 H72 B Cl P4 Ru | P 1 21/a 1 | 17.742; 19.095; 19.603 90; 97.922; 90 | 6578 | Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition RSC Adv., 2014, 4, 21964 |
7235647 | CIF | C17 H21 N | P 1 21/a 1 | 12.2168; 8.6679; 12.9252 90; 98.611; 90 | 1353.27 | Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines RSC Adv., 2014, 4, 19602 |
7236854 | CIF | C19 H28 B10 Si | P 1 21/a 1 | 10.1119; 16.5353; 12.9542 90; 90.332; 90 | 2165.95 | Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties Journal of Materials Chemistry C, 2017, 5, 10047 |
7237035 | CIF | C16 H14 S4 | P 1 21/a 1 | 8.7379; 6.35286; 13.4028 90; 90.3908; 90 | 743.98 | Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties Journal of Materials Chemistry C, 2018, 6, 3604 |
7238141 | CIF | C8 H8 Cl N O | P 1 21/a 1 | 13.498; 4.3186; 14.938 90; 111.365; 90 | 810.9 | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder CrystEngComm, 2005, 7, 690 |
7239007 | CIF | C9 H15 N O3 S | P 1 21/a 1 | 7.4816; 15.2728; 9.6621 90; 97.115; 90 | 1095.54 | Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D. Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack RSC Advances, 2013, 3, 24997 |
7239076 | CIF | C52 H35 N3 | P 1 21/a 1 | 10.7889; 19.9049; 17.5852 90; 106.621; 90 | 3618.67 | Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications RSC Advances, 2013, 3, 9381 |
7239247 | CIF | C28 H44 Cu N6 O16 | P 1 21/a 1 | 14.0765; 9.4805; 15.3959 90; 116.278; 90 | 1842.29 | Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B. Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates RSC Advances, 2013, 3, 26220 |
7239401 | CIF | C25 H21 N3 O6 | P 1 21/a 1 | 9.6442; 14.035; 15.9534 90; 91.025; 90 | 2159 | Ahadi, Somayeh; Kamranifard, Telma; Armaghan, Mahsa; Khavasi, Hamid Reza; Bazgir, Ayoob Domino Knoevenagel condensation‒Michael addition‒cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water RSC Advances, 2014, 4, 7296 |
7240151 | CIF | C17 H21.86 Cl F N3 O4.43 | P 1 21/a 1 | 7.02521; 19.6681; 12.9331 90; 90.7338; 90 | 1786.85 | Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data CrystEngComm, 2020 |
7240456 | CIF | C4 I N O S3 | P 1 21/a 1 | 9.017; 9.118; 9.594 90; 95.676; 90 | 784.9 | Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique Halogen bonded metal bis(dithiolene) 2D frameworks CrystEngComm, 2020 |
7241132 | CIF | C20 H19 N O3 | P 1 21/a 1 | 14.1749; 16.1144; 14.9624 90; 91.976; 90 | 3415.7 | Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S. Ruthenium-catalyzed, site-selective C–H activation: access to C5-substituted azaflavanone RSC Advances, 2020, 10, 31570-31574 |
7243823 | CIF | C15 H14 Br2 Cl2 I2 N2 O | P 1 21/a 1 | 10.9816; 15.6952; 13.8514 90; 110.729; 90 | 2232.86 | Milašinović, Valentina; Molčanov, Krešimir Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer CrystEngComm, 2021, 23, 8209-8214 |
7244528 | CIF | C43 H41 Cl N5 O3 P Pd | P 1 21/a 1 | 9.5617; 39.729; 10.2744 90; 92.477; 90 | 3899.4 | Morla, Jhansi Rani; Nareddula, Dastagiri Reddy Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst RSC Advances, 2022, 12, 6762-6771 |
7244636 | CIF | C14 H13 N O2 | P 1 21/a 1 | 11.8013; 6.8401; 14.1778 90; 91.9732; 90 | 1143.78 | Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid CrystEngComm, 2022 |
7245071 | CIF | C22 H18 N6 O10 | P 1 21/a 1 | 12.1477; 7.4576; 13.8322 90; 114.653; 90 | 1138.9 | Ramesh, Deepthi; Mohanty, Amaresh Kumar; De, Anirban; Vijayakumar, Balaji Gowrivel; Sethumadhavan, Aiswarya; Muthuvel, Suresh Kumar; Mani, Maheswaran; Kannan, Tharanikkarasu Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies RSC Advances, 2022, 12, 17466-17480 |
7245739 | CIF | C3 H6 O | P 1 21/a 1 | 8.9833; 4.2238; 9.4734 90; 97.508; 90 | 356.37 | Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques. Physical chemistry chemical physics : PCCP, 2021, 24, 122-128 |
7246604 | CIF | Eu S2 | P 1 21/a 1 | 7.909; 3.95477; 7.94357 90; 90.0831; 90 | 248.461 | Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S. Structural, optical and transport properties of layered europium disulfide synthesized under high pressure CrystEngComm, 2023, 25, 2966-2978 |
7246665 | CIF | C12 H10 N2 S8 | P 1 21/a 1 | 14.498; 7.5276; 16.6742 90; 111.731; 90 | 1690.4 | Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique Non-covalent interactions in neutral and oxidized tetrathiafulvalenes CrystEngComm, 2023, 25, 2946-2958 |
7247853 | CIF | C36 H43 N7 O6 | P 1 21/a 1 | 10.9638; 22.3683; 14.3096 90; 102.531; 90 | 3425.7 | Saletti, Mario; Venditti, Jacopo; Paolino, Marco; Zacchei, Arianna; Giuliani, Germano; Giorgi, Gianluca; Bonechi, Claudia; Donati, Alessandro; Cappelli, Andrea A tri(ethylene glycol)-tethered Morita–Baylis–Hillman dimer in the formation of macrocyclic crown ether-paracyclophane hybrid structures RSC Advances, 2023, 13, 35773-35780 |
7700041 | CIF | C44 H42 N4 O22 Zn6 | P 1 21/a 1 | 14.03; 23.66; 15.82 90; 113.39; 90 | 4820 | Gheorghe, Andreea; Imaz, Inhar; van der Vlugt, Jarl Ivar; Maspoch, Daniel; Tanase, Stefania Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions Dalton Transactions, 2019 |
7701180 | CIF | C15 H19 Br Cu N2 O4 | P 1 21/a 1 | 7.9002; 18.0037; 11.387 90; 94.962; 90 | 1613.54 | Dankhoff, Katja; Gold, Madeleine; Kober, Luisa; Schmitt, Florian; Pfeifer, Lena; Dürrmann, Andreas; Kostrhunova, Hana; Rothemund, Matthias; Brabec, Viktor; Schobert, Rainer; Weber, Birgit Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15220-15230 |
7701406 | CIF | C10 H21 N3 O10 Ti | P 1 21/a 1 | 7.9665; 30.139; 13.215 90; 104.765; 90 | 3068.18 | Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates Dalton Transactions, 2019 |
7701888 | CIF | C14 H19 B Cl2 Mo N4 O2 S2 | P 1 21/a 1 | 7.5475; 18.8361; 14.6355 90; 101.684; 90 | 2037.55 | Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C. Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W). Dalton transactions (Cambridge, England : 2003), 2020, 49, 781-796 |
7701891 | CIF | C14 H19 B Cl2 N4 O2 S2 W | P 1 21/a 1 | 7.5455; 18.7786; 14.5838 90; 101.486; 90 | 2025.05 | Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C. Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W). Dalton transactions (Cambridge, England : 2003), 2020, 49, 781-796 |
7702138 | CIF | C40.5 H17 Au2 Cl Cu2 F20 N8 | P 1 21/a 1 | 10.7353; 16.2907; 13.7091 90; 95.421; 90 | 2386.8 | Donamaría, Rocío; Fernández, Eduardo J; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodríguez-Castillo, María New Au(i)-Cu(i) heterometallic complexes: the role of bridging pyridazine ligands in the presence of unsupported metallophilic interactions. Dalton transactions (Cambridge, England : 2003), 2017, 46, 10941-10949 |
7702364 | CIF | C24 H13 O8 P Re2 S | P 1 21/a 1 | 9.367; 30.236; 9.481 90; 105.37; 90 | 2589.2 | Deeming, Antony J.; Shinhmar, Mukesh K.; Arce, Alejandro J.; De Sanctis, Ysaura Two different types of 2-thienyl bridge in dinuclear manganese and rhenium compounds Journal of the Chemical Society, Dalton Transactions, 1999, 1153 |
7702483 | CIF | C12 H30 Cl3 N3 Pd3 Se3 | P 1 21/a 1 | 10.7805; 13.1187; 16.6749 90; 95.899; 90 | 2345.8 | Dey, Sandip; Jain, Vimal K.; Chaudhury, Satyajeet; Knoedler, Axel; Lissner, Falk; Kaim, Wolfgang 2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis, structure, spectroscopy and transformation into palladium selenide Journal of the Chemical Society, Dalton Transactions, 2001, 723 |
7702494 | CIF | C32 H58 N8 O27 S3 Zn3 | P 1 21/a 1 | 16.5362; 13.789; 22.407 90; 111.652; 90 | 4748.7 | Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C. Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives † Journal of the Chemical Society, Dalton Transactions, 2001, 736 |
7702507 | CIF | C63 H58 Cl N4 O15 Re | P 1 21/a 1 | 15.947; 23.9; 16.64 90; 96.769; 90 | 6298 | Cooper, James B.; Drew, Michael G. B.; Beer, Paul D. Heteroditopic rhenium(I) and ruthenium(II) bipyridyl calix[4]arene receptors for binding cation‒anion ion pairs Journal of the Chemical Society, Dalton Transactions, 2001, 392 |
7702526 | CIF | C11 H18 Br Cl Cu N4 O4 | P 1 21/a 1 | 7.95; 22.307; 18.298 90; 90; 90 | 3245 | Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion Journal of the Chemical Society, Dalton Transactions, 2001, 1462 |
7702544 | CIF | C23 H27 B2 Eu N12 O2 | P 1 21/a 1 | 14.927; 12.871; 15.254 90; 102.09; 90 | 2866 | Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M. Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium† Journal of the Chemical Society, Dalton Transactions, 2001, 2121 |
7702608 | CIF | C16 H34 N2 Ni2 O20 | P 1 21/a 1 | 7.779; 15.561; 11.124 90; 99.07; 90 | 1329.7 | Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex Journal of the Chemical Society, Dalton Transactions, 2001, 3119 |
7702617 | CIF | C13 H18 Cl2 Co N3 O | P 1 21/a 1 | 15.6132; 13.2356; 15.866 90; 95.909; 90 | 3261.3 | Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide† Journal of the Chemical Society, Dalton Transactions, 2001, 2943 |
7702619 | CIF | C13 H18 Cl2 N3 O Zn | P 1 21/a 1 | 15.6669; 13.2652; 15.8854 90; 95.677; 90 | 3285.2 | Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide† Journal of the Chemical Society, Dalton Transactions, 2001, 2943 |
7702632 | CIF | C22 H29 N6 O3 | P 1 21/a 1 | 12.458; 14.997; 12.515 90; 93.54; 90 | 2334 | Boubals, Nathalie; Drew, Michael G. B.; Hill, Clément; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.; Youngs, Tristan G. A. Americium(iii) and europium(iii) solvent extraction studies of amide-substituted triazine ligands and complexes formed with ytterbium(iii) Journal of the Chemical Society, Dalton Transactions, 2002, 55 |
7702656 | CIF | C47 H47 F6 O2 P2 Rh | P 1 21/a 1 | 15.74; 17.42; 16.32 90; 102.66; 90 | 4366 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
7702657 | CIF | C49 H47 F6 O6 P2 Rh | P 1 21/a 1 | 15.534; 19.986; 15.757 90; 103.7; 90 | 4752.8 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
7702659 | CIF | C34 H35 F6 O5 P2 Rh | P 1 21/a 1 | 15.411; 22.199; 10.602 90; 110.11; 90 | 3405.9 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
7702660 | CIF | C39 H46 F6 N O9 P2 Rh | P 1 21/a 1 | 15.299; 14.826; 19.505 90; 106.78; 90 | 4236 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
7702718 | CIF | C18 H58 Cl6 N6 O26 Rh2 S6 | P 1 21/a 1 | 19.181; 14.374; 20.233 90; 116.93; 90 | 4973 | Hirotsu, Masakazu; Kobayashi, Atsushi; Yoshimura, Takashi; Konno, Takumi Rhodium(iii) complexes with thiolate and thioether ligands derived from fac(S)-[Rh(aet)3] (aet = 2-aminoethanethiolate): selective formation, characterization and properties Journal of the Chemical Society, Dalton Transactions, 2002, 878 |
7702806 | CIF | C73 H70 Cl2 F8 Ir2 N2 O2 P4 S2 | P 1 21/a 1 | 14.066; 31.694; 16.355 90; 91.83; 90 | 7287 | Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu Coordination behaviour of (diaryl disulfide)-bridged dinuclear thiairidaindan cores: ligand substitution by isocyanides, CO, hydrazines and hydroxylamine, and related reactions Journal of the Chemical Society, Dalton Transactions, 2002, 2737 |
7702809 | CIF | C74 H102 Cl2 Cu4 N8 O20 | P 1 21/a 1 | 17.012; 17.596; 26.692 90; 101.711; 90 | 7823.7 | Saimiya, Hiromi; Sunatsuki, Yukinari; Kojima, Masaaki; Kashino, Setsuo; Kambe, Takashi; Hirotsu, Masakazu; Akashi, Haruo; Nakajima, Kiyohiko; Tokii, Tadashi Antiferromagnetism induced by successive protonation of terminal phenol groups of a bis(μ-phenoxide)-bridged dicopper(II,II) complex Journal of the Chemical Society, Dalton Transactions, 2002, 3737-3742 |
7702891 | CIF | C21 H19 B2 F8 N7 O Ru | P 1 21/a 1 | 10.0573; 15.8424; 16.3412 90; 105.971; 90 | 2503.2 | Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions. Dalton transactions (Cambridge, England : 2003), 2012, 41, 13081-13089 |
7703409 | CIF | C23 H24 I Ir N2 S3 | P 1 21/a 1 | 24.1194; 9.1793; 23.3012 90; 113.303; 90 | 4738.04 | Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A. Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2264-2272 |
7703411 | CIF | C23 H24 I Ir N2 S3 | P 1 21/a 1 | 24.1194; 9.1793; 23.3012 90; 113.303; 90 | 4738.04 | Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A. Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2264-2272 |
7704617 | CIF | C24 H50.74 Br0.44 Cl1.56 Cu2 N12 O2.37 | P 1 21/a 1 | 16.781; 9.134; 21.372 90; 95.981; 90 | 3258.02 | Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 8614-8624 |
7705414 | CIF | C24 H16 Cl2 Fe N12 O8 | P 1 21/a 1 | 17.194; 8.726; 19.187 90; 90.4; 90 | 2879 | Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 14258-14267 |
7705590 | CIF | C18 H14 Cl N3 | P 1 21/a 1 | 7.8431; 23.827; 8.7706 90; 114.206; 90 | 1494.9 | Longevial, Jean-François; Miyagawa, Kazuya; Shinokubo, Hiroshi Site-selective halogenation on <i>meso</i>-mesityl substituents of 10,20-dimesityl-5,15-diazaporphyrins with an AuX<sub>3</sub>/AgOTf combination. Dalton transactions (Cambridge, England : 2003), 2020, 49, 14786-14789 |
7705748 | CIF | C51 H47.5 F6 N2 O8.25 P3 Ru | P 1 21/a 1 | 18.644; 31.025; 19.489 90; 110.134; 90 | 10584.1 | Graminha, Angelica E.; Honorato, João; Correa, Rodrigo S.; Cominetti, Marcia R.; Menezes, Antônio C S; Batista, Alzir A. A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton and inhibits migration, invasion and adhesion of triple negative breast tumor cells. Dalton transactions (Cambridge, England : 2003), 2021, 50, 323-335 |
7707065 | CIF | C36 Co4 O24 P4 | P 1 21/a 1 | 9.39192; 23.4056; 10.51984 90; 95.5626; 90 | 2301.62 | Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P. Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6539-6548 |
7707130 | CIF | C2 H8 Mg N2 O4 S2 | P 1 21/a 1 | 7.49473; 9.0296; 7.87213 90; 113.65; 90 | 487.997 | Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6949-6961 |
7707132 | CIF | C18 H32 Mg N2 O4 S2 | P 1 21/a 1 | 10.5624; 15.0999; 7.8918 90; 96.5777; 90 | 1250.39 | Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6949-6961 |
7708273 | CIF | C154 H146 B4 Cl8 F16 N8 O2 P8 Pd4 | P 1 21/a 1 | 21.2707; 23.0586; 31.8123 90; 93.226; 90 | 15578.3 | Alves, Kamilla; Honorato, João; Lião, Luciano Morais; Velozo-Sá, Vivianne de Souza; Pereira Mundim Guedes, Adriana; Dutra, Jocely de Lucena; Ayala, Alejandro Pedro; Ellena, Javier A.; Batista, Alzir A.; Gonçalves, Pablo José Meso-tetra-(4-pyridyl)porphyrin/Palladium(II) Complexes as Anticancer Agents Dalton Transactions, 2021 |
7708873 | CIF | C40 H48 B2 F2 N4 O4 | P 1 21/a 1 | 12.864; 9.016; 15.507 90; 95.242; 90 | 1791 | Nakamura, Masashi; Gon, Masayuki; Natsuda, Shin-Ichiro; Tamai, Yasunari; Ohkita, Hideo; Tanaka, Kazuo; Chujo, Yoshiki Development of NIR emissive fully-fused bisboron complexes with π-conjugated systems including multiple azo groups. Dalton transactions (Cambridge, England : 2003), 2021, 51, 74-84 |
7710547 | CIF | C22 H37 Cl Ir N2 P Si | P 1 21/a 1 | 15.8176; 9.3483; 18.1721 90; 110.406; 90 | 2518.4 | Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes Dalton Transactions, 2022 |
7711752 | CIF | C35 H32 N2 P2 Pd S | P 1 21/a 1 | 14.2842; 14.4067; 15.4064 90; 102.516; 90 | 3095.1 | Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A. Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes Dalton Transactions, 2022 |
7715483 | CIF | C35 H60 B10 Ca N2 O | P 1 21/a 1 | 17.214; 13.088; 18.465 90; 103.181; 90 | 4050.51 | Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S. From alkaline earth to coinage metal carboranyls. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6653-6659 |
7716980 | CIF | C15 H8 F6 Gd N O8 | P 1 21/a 1 | 7.7894; 21.8151; 10.1789 90; 98.8; 90 | 1709.3 | Trovarelli, Letizia; Mirarchi, Alessandra; Arcuri, Cataldo; Bruscoli, Stefano; Bereshchenko, Oxana; Febo, Marta; Carniato, Fabio; Costantino, Ferdinando Relaxometric properties and biocompatibility of a novel nanostructured fluorinated gadolinium metal-organic framework. Dalton transactions (Cambridge, England : 2003), 2024, 53, 15937-15945 |
8000051 | CIF | C2 H2 Ca O4 | P 1 21/a 1 | 10.09; 14.549; 6.27 90; 109.53; 90 | 867.5 | Makoto Tadokoro; Yoshiki Ozawa; Minoru Mitsumi; Kohshiro Toriumi; Tetsuya Ogura Raphide Crystal Structure in Agave Tequilana Determined by X-ray Originating from Synchrotron Radiation Chemistry Letters, 2005, 34, 236 |
8000059 | CIF | C16 H13 Cl Ge O2 | P 1 21/a 1 | 14.867; 10.589; 9.096 90; 91.013; 90 | 1431.73 | Makoto Yamashita; Hiromi Murakami; Toshifumi Unrin-in; Atsushi Kawachi; Kin-ya Akiba; Yohsuke Yamamoto Synthesis and Structure of a Germylene Bearing a 1,8-Dimethoxyanthracene Ligand Chemistry Letters, 2005, 34, 690 |
8000109 | CIF | C18 H28 N2 | P 1 21/a 1 | 11.014; 6.651; 12.73 90; 97.37; 90 | 924.8 | Ohashi, Maki; Maeda, Hajime; Mizuno, Kazuhiko Catalytic Ability of 9-Cyanophenanthrene in Oxidative Photodimerization of 2,5-Dimethyl-2,4-hexadiene Chemistry Letters, 2006, 35, 482 |
8100127 | CIF | C8 H14 N O4 P | P 1 21/a 1 | 7.909; 8.366; 16.552 90; 98.23; 90 | 1083.9 | Smirani, Wajda; Rzaigui, Mohamed Crystal structure of 3,4-dimethylanilinium dihydrogenphosphate, [(CH~3~)~2~C~6~H~3~NH~3~]H~2~PO~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 263-264 |
8100259 | CIF | C91 H89 Cl28 O12 P6 Ru2 | P 1 21/a 1 | 21.984; 25.643; 23.102 90; 114.54; 90 | 11847 | Tinant, B.; Duliere, E.; Devillers, M.; Marchand-Brynaert, J. Crystal structure of dichloro-[1-diphenylphosphinyloxy-2,2-bis(diphenyl- phosphinyloxymethyl)propane]ruthenium(II) solvate, C~82~H~78~Cl~4~O~6~P~6~Ru~2~ · 8CHCl~3~ · CH~3~OH · 5H~2~O, a novel tridentate phosphinite-Ru complex used as a model of heterogenized oxidation catalyst Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 59-62 |
8100265 | CIF | C28 H32 N2 O5 | P 1 21/a 1 | 9.5162; 16.0013; 17.8001 90; 102.883; 90 | 2642.2 | Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura Crystal structure of 2-[(3,4-dimethoxy)-phenethyl-3-(3,4-dimethoxy)- phenethylamino]-2,3-dihydro-isoindol-1-one, C~28~H~32~N~2~O~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 79-80 |
8100352 | CIF | C16 H15 N O | P 1 21/a 1 | 7.0845; 18.587; 9.08 90; 95.3; 90 | 1190.6 | Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura; Pérez-Lourido, Paulo Crystal structure of 2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin- 7-one, C~16~H~15~NO Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 177-178 |
8100409 | CIF | H12 O14 Rb2 Se2 Zn | P 1 21/a 1 | 9.3523; 12.6259; 6.36 90; 105.195; 90 | 724.74 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
8100421 | CIF | H12 Mg O14 Rb2 Se2 | P 1 21/a 1 | 9.401; 12.658; 6.339 90; 105.25; 90 | 727.77 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~) ~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
8100422 | CIF | Co H12 O14 Rb2 Se2 | P 1 21/a 1 | 9.3628; 12.6176; 6.3562 90; 105.238; 90 | 724.5 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
8100423 | CIF | H12 Mn O14 Rb2 Se2 | P 1 21/a 1 | 9.4496; 12.7603; 6.3794 90; 105.189; 90 | 742.35 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
8100506 | CIF | Cs2 H12 Mg O14 S2 | P 1 21/a 1 | 9.338; 12.849; 6.361 90; 107.07; 90 | 729.6 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
8100507 | CIF | Cs2 H12 Mn O14 S2 | P 1 21/a 1 | 9.418; 12.963; 6.386 90; 107.17; 90 | 744.9 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
8100508 | CIF | Cs2 Fe H12 O14 S2 | P 1 21/a 1 | 9.357; 12.886; 6.381 90; 106.94; 90 | 736 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
8100509 | CIF | Co Cs2 H12 O14 S2 | P 1 21/a 1 | 9.3182; 12.826; 6.365 90; 107.13; 90 | 727 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
8100510 | CIF | Cs2 H12 Ni O14 S2 | P 1 21/a 1 | 9.259; 12.767; 6.358 90; 107; 90 | 718.7 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
8100511 | CIF | Cs2 H12 O14 S2 Zn | P 1 21/a 1 | 9.314; 12.817; 6.369 90; 106.94; 90 | 727.3 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
8100515 | CIF | Cs2 H12 Mg O14 Se2 | P 1 21/a 1 | 9.5128; 13.0372; 6.473 90; 106.244; 90 | 770.74 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
8100516 | CIF | Cs2 H12 Mn O14 Se2 | P 1 21/a 1 | 9.5914; 13.141; 6.504 90; 106.38; 90 | 786.5 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
8100517 | CIF | Co Cs2 H12 O14 Se2 | P 1 21/a 1 | 9.4936; 13.009; 6.4833 90; 106.239; 90 | 768.76 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
8100518 | CIF | Cs2 H12 Ni O14 Se2 | P 1 21/a 1 | 9.426; 12.961; 6.4731 90; 106.17; 90 | 759.5 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
8100519 | CIF | Cs2 H12 O14 Se2 Zn | P 1 21/a 1 | 9.4832; 13.0046; 6.485 90; 106.155; 90 | 768.18 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
8100547 | CIF | C18 H42 Al Br9 N6 O6 | P 1 21/a 1 | 16.088; 12.722; 20.093 90; 94.12; 90 | 4101.8 | Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B. Crystal structure of hexakis(N,N-dimethylformamide-O)aluminium(III) tris(tribromide), Al[(CH~3~)~2~N(CH)O]~6~(Br~3~)~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 128-130 |
8100619 | CIF | C32 H18 Mg N8 O | P 1 21/a 1 | 13.526; 13.927; 13.559 90; 104.678; 90 | 2470.9 | Mizuguchi, Jin Crystal structure of aquamagnesiumphthalocyanine, (C~32~H~16~N~8~) Mg(H~2~O) Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 251-252 |
8100633 | CIF | C13 H16 N4 O S | P 1 21/a 1 | 6.286; 19.268; 11.06 90; 91.84; 90 | 1338.9 | Dridi, Khaireddine; Rzaigui, Mohamed; Zantour, Hedi Crystal structure of 5-ethyl-3-hydroxy-9-tert-butylthieno[3,2-e]-1, 2,4-triazolo[2,3-c]pyrimidine, C~13~H~16~N~4~OS Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 275-276 |
8100706 | CIF | C18 H24 O3 | P 1 21/a 1 | 5.9054; 31.84; 8.743 90; 104.504; 90 | 1591.6 | Rademacher, O.; Zimmer, R.; Dinesh, C.U.; Reißig, H.-U. Crystal structure of methyl 4aSR,5RS,12aRS-12a-hydroxy-1,2,3,4,4a, 5,6,11,12,12a-decahydro-dibenzo[a,e][8]annulene-5-carboxylate, C~18~H~24~O~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 423-424 |
8100760 | CIF | C20 H26 B Br F2 N2 O2 | P 1 21/a 1 | 13.0971; 12.0954; 13.577 90; 96.62; 90 | 2136.5 | Euler, H.; Kirfel, A.; Freudenthal, S.J.; Müller, C.E. Crystal structure of 4-bromobutyric acid 3-((4,4-difluoro-1,3,5,7-tetramethyl- 4-bora-3a,4a-diaza-s-indacen)-8-yl)propyl ester, C~20~H~26~BBrF~2~N~2~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 541-542 |
8100836 | CIF | C11 H7 Cl N2 O3 S | P 1 21/a 1 | 7.066; 21.069; 7.663 90; 93.69; 90 | 1138.5 | Ettorre, Alessandro; Sivestri, Romano; Artico, Marino; Massa, Silvio; La Colla, Paolo Crystal structure of 7-chloropyrrolo[1,2-b][1,2,5]benzothiadiazepin-10(11H)-one-5,5-dioxide, C~11~H~7~N~2~O~3~ClS Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 57-58 |
8100842 | CIF | C44 H54 O12 S2 | P 1 21/a 1 | 14.975; 10.908; 26.307 90; 94.387; 90 | 4284 | Nabeshima, T.; Nishida, D.; Horn, E. Crystal structure of 1,19(1,3,2),10,28(1,2)-tetrabenzena3,6,9,11,14, 17,21,24,27,29,32,35-dodecaoxa-37,38-dithiobicyclo [17.17.2]hexatriacontaphane, C~44~H~54~O~12~S~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 80-82 |
8100953 | CIF | C36 H42 Cu N2 O6 | P 1 21/a 1 | 12.856; 16.726; 16.268 90; 96.55; 90 | 3475.3 | Lemoine, Pascale; Tomas, Alain; Nguyen-Huy, Dung; Viossat, Bernard Crystal structure of bis[3,5-diisopropylsalicylato](2,2'-bipyridyl)- copper(II), C~36~H~42~CuN~2~O~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 280-282 |
8101000 | CIF | C32 H16 Mg N8 | P 1 21/a 1 | 18.971; 4.916; 14.401 90; 119.89; 90 | 1164.3 | Mizuguchi, Jin Crystal structure of magnesiumphthalocyanine, C~32~H~16~N~8~Mg Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 377-378 |
8101117 | CIF | C12 H24 Cu N2 O8 | P 1 21/a 1 | 7.1669; 12.336; 9.481 90; 110.96; 90 | 782.8 | Krimi Ammar, Mehrzia; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar Refinement of the crystal structure of di(acetatodiethanolamin)copper (II) complex, Cu[N(CH~2~COO)(CH~2~CH~2~OH)~2~]~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 631-632 |
8101197 | CIF | C23 H44 O5 Si | P 1 21/a 1 | 13.117; 8.736; 22.362 90; 101.36; 90 | 2512.3 | Wittenberg, J.; Wartchow, Rudolf; Hoffmann, H. M. R. Crystal structure of 1,8-dimethyl-7α-methoxy-10α-(triisopropylsilyloxy)- (2β)-12-oxatricyclo[6.3.1.0^2,7^]dodecane-3β,4α- diol, [(C~3~H~7~)~3~SiO](CH~3~)~2~(OH)~2~(OCH~3~)(C~11~H~12~O) Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 153-154 |
8101270 | CIF | C14 H22 O3 S2 Si2 | P 1 21/a 1 | 12.267; 11.548; 13.242 90; 91.13; 90 | 1875.3 | Zhang, S.-Z.; Sato, S.; Horn, E.; Furukawa, Naomichi Crystal structure of 1-oxa-6-thia-7,10-bis(trimethylsilyl)-11-sulfoxide- spiro[4.4.5]undeca-3,8-dien-2-one, C~14~H~22~O~3~S~2~Si~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 359-360 |
8101340 | CIF | C62 H60 N2 P2 | P 1 21/a 1 | 15.944; 26.895; 13.359 90; 100.45; 90 | 5633.5 | Neuman, Alain; Leroux, Yves; El Manouni, Driss; Prangé, Thierry Crystal structure of 9-benzoyl-5-methoxy-7-phenyl-7-phthalimido-2, 2,3,3-tetramethyl-1,4,6-trioxa-5-phospha(V)spiro[4.4]non-8-en, C~62~H~60~N~2~O~14~P~2~ and of dimethyl 3-(4,4,4',4',5,5,5',5'-octamethyl-1,1',3,3'-tetraoxa-2-phospha(V)-spiro[4.4] nonanyl)-2(N,N-dimethyl)succinate), C~20~H~38~NO~8~P, two tetraoxaspiro-phosphorane(V) intermediates Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 539-543 |
8101352 | CIF | C15 H17 N3 O2 | P 1 21/a 1 | 11.886; 10.672; 12.198 90; 106.06; 90 | 1486.9 | Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L. Crystal structure of N,N'-diphenylguanidinium acetate, C~13~H~14~N~3~ ^+^C~2~H~3~O~2~^‒^ Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 579-580 |
8101393 | CIF | H12 Mg O14 Rb2 S2 | P 1 21/a 1 | 9.226; 12.472; 6.217 90; 105.982; 90 | 687.7 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
8101394 | CIF | H12 Mn O14 Rb2 S2 | P 1 21/a 1 | 9.282; 12.6; 6.254 90; 105.94; 90 | 703.3 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
8101395 | CIF | Fe H12 O14 Rb2 S2 | P 1 21/a 1 | 9.224; 12.51; 6.2551 90; 105.75; 90 | 694.7 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
8101396 | CIF | Co H12 O14 Rb2 S2 | P 1 21/a 1 | 9.197; 12.446; 6.2364 90; 106.041; 90 | 686.1 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
8101397 | CIF | H12 Ni O14 Rb2 S2 | P 1 21/a 1 | 9.131; 12.41; 6.221 90; 106.06; 90 | 677.5 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
8101398 | CIF | H12 O14 Rb2 S2 Zn | P 1 21/a 1 | 9.179; 12.441; 6.239 90; 105.93; 90 | 685.1 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
8101576 | CIF | C12 H24 Mg N2 O14 | P 1 21/a 1 | 11.833; 6.681; 12.396 90; 93.682; 90 | 978 | Muthuraman, Meiyappan; Bordet, Pierre; Le Fur, Yvette Crystal structure of hexaaquamagnesium bis(p-nitrophenolate) dihydrate, Mg(H~2~O)~6~(O~2~NC~6~H~4~O)~2~ · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 527-528 |
8101646 | CIF | C13 H16 I2 O3 | P 1 21/a 1 | 9.246; 12.879; 13.404 90; 106.66; 90 | 1529.1 | Zukerman-Schpector, J.; Stefani, A. Helio; Valduga, Claudéte I.; Brandt, Carlos A.; Caracelli, I. Crystal structure of 5-(iodomethyl)-3-(5-iodo-7-oxabicyclo[4.3.0]non- 8-ylidene)oxolan-2-one, C~13~H~16~I~2~O~3~ Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 733-734 |
8101652 | CIF | C19 H15 N O | P 1 21/a 1 | 21.741; 7.584; 8.802 90; 97.3; 90 | 1439.5 | Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Lokshin, Vladimir; Guglielmetti, Robert; Pèpe, Gérard Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f </i>]quinoline, C~19~H~15~NO Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 743-744 |
8101767 | CIF | C32 H56 N4 O20 P4 | P 1 21/a 1 | 13.412; 9.16; 18.128 90; 104.41; 90 | 2157 | H. Hemissi; S. Abid; M. Rzaigui Crystal structure of tetrakis(4-methoxybenzyl-ammonium) cyclotetraphosphate tetrahydrate, (C~8~H~12~NO)~4~[P~4~O~12~] · 4H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 265-266 |
8101785 | CIF | C31 H32 N8 | P 1 21/a 1 | 9.581; 16.381; 17.803 90; 100.92; 90 | 2743.5 | T. Irrgang; R. Kempe Crystal structure of N,N'-bis(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin- 7-yl)-1,3-diaminopropane, C~31~H~32~N~8~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 403-404 |
8101824 | CIF | C8 H40 N8 O24 P8 Zn8 | P 1 21/a 1 | 7.8357; 8.2543; 14.7908 90; 95.76; 90 | 951.81 | S. Natarajan; Yu. Prots; R. Niewa; R. Kniep Crystal structure of 1,2-ethylenediamine-dizinc diphosphate(III), Zn~2~(C~2~H~8~N~2~)(HPO~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 455-456 |
8101913 | CIF | C6 H8 Br N3 O2 | P 1 21/a 1 | 6.3952; 11.1267; 12.0785 90; 97.274; 90 | 852.56 | Balliano, T. L.; Pereira, M. A.; De Simone, C. A.; Malta, V. R. S.; Velasquez, N.; Cioletti, A. G.; Goulart, M. O. F. Crystal structure of 1-(2-bromoethyl)-2-methyl-5-nitroimidazole, C~6~H~8~BrN~3~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 49-50 |
8101983 | CIF | C16 H22 V | P 1 21/a 1 | 12.16; 9.0848; 13.2123 90; 104.822; 90 | 1411.01 | Ernst, R. D.; Basta, R.; Arif, A. M. Crystal structure of bis(6,6-dimethylcyclohexadienyl)vanadium, V(C~8~H~11~) ~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 289-290 |
8101992 | CIF | C12 H14 O2 S | P 1 21/a 1 | 10.787; 10.3955; 10.888 90; 108.928; 90 | 1154.92 | Zukerman-Schpector, J.; Oliveira da Silva, R.; Olivato, P. R.; Vinhato, E.; Rodrigues, A.; Cerqueira, Jr., C. R. Crystal structure of 2-phenylsulfinyl-cyclohexanone, C~12~H~14~O~2~S Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 311-312 |
8102198 | CIF | C48 H74 F6 N6 O32 V10 | P 1 21/a 1 | 10; 18.713; 19.07 90; 101.06; 90 | 3502.3 | Francesc Yraola; Fernando Albericio; Miriam Royo; Xavier Solans Crystal structure of hexakis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate, (C8H11FN)6[V10O28] · 4H2O Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 45 |
8102248 | CIF | C52 H88 O8 Si8 | P 1 21/a 1 | 18.2222; 12.956; 27.1992 90; 94.449; 90 | 6402 | Osamu Morikawa; Misao Nakamura; Kazuhiro Kobayashi; Hisatoshi Konishi Crystal structure of 14,16,34,36,54,56,74,76-octakis(trimethylsilyloxy)-1,3,5,7(1,3)tetrabenzenacyclooctaphane, C28H16[OSi(CH3)3]8 Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 95 |
8102447 | CIF | C12 H22 Br3 N3 O3 | P 1 21/a 1 | 11.932; 10.091; 15.514 90; 105.19; 90 | 1802.7 | Alain Bekaert; Bernard Viossat; Jean Daniel Brion; Pascale Lemoine Refinement of crystal structure of tris[pyrrolidine-2-one] hydrogen tribromide, (C4H7NO)3HBr3 Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 676 |
8102821 | CIF | C31 H36 O8 | P 1 21/a 1 | 12.9563; 15.054; 15.4461 90; 105.12; 90 | 2908.4 | Pablo Wessig; Annika Matthes; Uwe Schilde Crystal structure of 3,4-diacetyl-15,21-dioxatetracyclo[23.4.0.02,7.06,11]nonacosa-1(29),2,4,6,8,10,25,27-octaene-14,22-dione — water (1:2), C31H32O6 · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 744 |
8103013 | CIF | Fe H12 K2 O14 S2 | P 1 21/a 1 | 9.0651; 12.252; 6.1646 90; 104.536; 90 | 662.76 | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel Refinement of the crystal structure of potassium hexaaquairon(II) sulfate, K2[Fe(H2O)6](SO4)2 and potassium hexaaquazinc(II) sulfate, K2[Zn(H2O)6](SO4)2 Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 171 |
8103018 | CIF | H12 K2 Mg O14 Se2 | P 1 21/a 1 | 9.264; 12.4207; 6.2514 90; 104.286; 90 | 697.08 | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel Crystal structure of Tutton's salts K2[MII(H2O)6](SeO4)2, MII = Co, Ni, Zn and refinement of the crystal structure of potassium hexaaquamagnesium(II) selenate, K2[Mg(H2O)6](SeO4)2 Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 351 |
8103026 | CIF | H12 Mg O14 Se2 Tl2 | P 1 21/a 1 | 9.434; 12.634; 6.2924 90; 105.719; 90 | 721.9 | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel Crystal structure of Tutton's salts Tl2[MII(H2O)6](SeO4)2, MII = Mg, Mn, Co, Ni, Cu, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 360 |
8103439 | CIF | Au Br4 Rb | P 1 21/a 1 | 10.299; 6.214; 7.436 90; 121.33; 90 | 406.498 | Baernighausen, H.; Straehle, J. Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 471-472 |
8103462 | CIF | B Mg0.76 Mn1.24 O4 | P 1 21/a 1 | 9.37; 9.279; 3.181 90; 85.65; 90 | 275.773 | Norrestam, R. Structural investigations of two synthetic warwickites: Undistorted orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3 Zeitschrift fuer Kristallographie (149,1979-), 1989, 189, 1-11 |
8103480 | CIF | B4 N4 O72 Si32 | P 1 21/a 1 | 13.112; 12.903; 12.407 90; 113.5; 90 | 1924.97 | Rius, J.; Gies, H. Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 475-480 |
8103605 | CIF | Bi Br3 | P 1 21/a 1 | 8.429; 9.848; 6.756 90; 109.65; 90 | 528.148 | von Benda, H. Zur Polymorphie des Wismuttribromids Zeitschrift fuer Kristallographie (149,1979-), 1980, 151, 271-285 |
8103652 | CIF | As2 S4 Tl2 | P 1 21/a 1 | 12.276; 11.299; 6.101 90; 104.08; 90 | 820.825 | Fleet, M.E. The crystal structure and bonding of lorandite, Tl2 As2 S4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1973, 138, 147-160 |
8103738 | CIF | B8 Na2 O13 | P 1 21/a 1 | 6.542; 17.796; 8.429 90; 96.49; 90 | 975.028 | Bubnova, R.S.; Filatov, S.K.; Shepelev, Yu.F.; Sennova, N.A. Thermal behaviour of the rigid boron-oxygen groups in the alpha-(Na2 B8 O13) crystal structure Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 444-450 |
8103739 | CIF | B8 Na2 O13 | P 1 21/a 1 | 6.554; 17.861; 8.445 90; 95.15; 90 | 984.589 | Bubnova, R.S.; Shepelev, Yu.F.; Sennova, N.A.; Filatov, S.K. Thermal behaviour of the rigid boron-oxygen groups in the alpha-(Na2 B8 O13) crystal structure Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 444-450 |
8103782 | CIF | H8 Mo N2 O4 | P 1 21/a 1 | 7.6757; 11.2053; 7.1264 90; 115.727; 90 | 552.173 | Schweda, E.; Hofmann, M.; Dittmann, M.; Glaser, J. Phase transformation of ammonium monomolybdate. The structure of the low temperature modification, (N H4)2 (Mo O4) (mP60, P21/a) Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 164-167 |
8103809 | CIF | Cu F H O | P 1 21/a 1 | 5.301; 6.376; 5.074 90; 112.9; 90 | 157.981 | Giester, G.; Libowitzky, E. Crystal structures and Raman spectra of Cu (O H) F and Cu3 (O H)2 F4 Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 351-356 |
8103959 | CIF | Al8.05 Fe1.05 Mg3.15 O20 Si1.75 | P 1 21/a 1 | 11.31; 14.48; 9.99 90; 125.4; 90 | 1333.59 | Merlino, S. Crystal structure of sapphirine -1Tc Zeitschrift fuer Kristallographie (149,1979-), 1980, 151, 91-100 |
8103962 | CIF | H10 K2 Mn3 O21 S4 | P 1 21/a 1 | 9.969; 9.75; 19.168 90; 103.96; 90 | 1808.06 | Hidalgo, H.; Keremidchieva, B.; Veintemillas, S.; Balarew, C.; Rodriguez-Clemente, R.; Molins, E.; Spasov, V. Crystal structure of dipotassium trimanganese tetrakis(sulfate) pentahydrate K2 Mn3 (S O4)4 (H2 O)5 Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 153-157 |
8104507 | CIF | Co1.05 Ni1.95 O8 P2 | P 1 21/a 1 | 10.185; 4.713; 5.865 90; 91.09; 90 | 281.48 | Nord, A.G. Crystallographic studies of olivine-related sarcopside-type solutions Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 159-176 |
8104508 | CIF | Co1.95 Ni1.05 O8 P2 | P 1 21/a 1 | 10.247; 4.728; 5.889 90; 91.07; 90 | 285.259 | Nord, A.G. Crystallographic studies of olivine-related sarcopside-type solutions Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 159-176 |
8104509 | CIF | Mn0.9 Ni2.1 O8 P2 | P 1 21/a 1 | 10.267; 4.726; 5.961 90; 90.82; 90 | 289.209 | Nord, A.G. Crystallographic studies of olivine-related sarcopside-type solutions Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 159-176 |
8105319 | CIF | C8 H10 Bi Cl5 N4 O2 | P 1 21/a 1 | 9.1065; 14.595; 12.7195 90; 93.557; 90 | 1687.28 | Hao, Munan; Jin, Shifeng; Ma, Yuxin; Zhou, Junyan; Zhang, Zeyu; Zhao, Changchun The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 885-886 |
8105450 | CIF | C20 H26 N4 O4 | P 1 21/a 1 | 12.107; 7.8431; 21.794 90; 98.233; 90 | 2048.2 | Chen, Xiao-Li; Sun, Le-Tao; Zhang, Qi-Long; Xu, Hong; Yang, Xian-Jiong Crystal structure of (E)-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene) nicotinohydrazide monohydrate, C20H24N4O3 ⋅ H2O Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1301-1302 |
8107139 | CIF | C19 H17 N3 O3 | P 1 21/a 1 | 7.1173; 25.051; 9.3822 90; 100.484; 90 | 1644.9 | Aqlan, Faisal M. S.; Nadeem Arshad, Muhammad; Asiri, Abdullah M.; Khan, Khalid A.; Zayed, Mohie E. M. The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 1181-1183 |
9000125 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.39; 8.213; 9.934 90; 114.03; 90 | 1072.3 | Clark, J. R. The crystal structure of tunellite, SrB6O9(OH)2.3H2O American Mineralogist, 1964, 49, 1549-1568 |
9000131 | CIF | Cs O6 U V | P 1 21/a 1 | 10.51; 8.45; 7.32 90; 106.08; 90 | 624.652 | Appleman, D. E.; Evans, H. T. The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and its cesium analogue, Cs2(UO2)2V2O8 American Mineralogist, 1965, 50, 825-842 |
9000164 | CIF | As2 H8 Mn7 O16 | P 1 21/a 1 | 11.03; 12.12; 5.51 90; 114.07; 90 | 672.548 | Moore, P. B. Crystal chemistry of the basic manganese arsenate minerals: II. The crystal structure of allactite American Mineralogist, 1968, 53, 733-741 |
9000181 | CIF | Al H12 Na O14 S2 | P 1 21/a 1 | 7.353; 25.225; 6.097 90; 95.2; 90 | 1126.21 | Robinson, P. D.; Fang, J. H. Crystal structures and mineral chemistry of double-salt hydrates: I. Direct determination of the crystal structure of tamarugite American Mineralogist, 1969, 54, 19-30 |
9000182 | CIF | Al9 Mg3.5 O20 Si1.5 | P 1 21/a 1 | 11.266; 14.401; 9.929 90; 125.46; 90 | 1312.11 | Moore, P. B. The crystal structure of sapphirine American Mineralogist, 1969, 54, 31-49 |
9000188 | CIF | Fe2 H18 Mn O18 P2 | P 1 21/a 1 | 9.647; 7.428; 10.194 90; 104.63; 90 | 706.796 | Baur, W. H. A comparison of the crystal structures of pseudolaueite and laueite American Mineralogist, 1969, 54, 1312-1323 |
9000201 | CIF | H2 Mn7 O14 Si3 | P 1 21/a 1 | 10.842; 4.826; 11.324 90; 103.93; 90 | 575.086 | Moore, P. B. Edge-sharing silicate tetrahedra in the crystal structure of leucophoenicite American Mineralogist, 1970, 55, 1146-1166 |
9000209 | CIF | B14 Ca H16 O31 Sr | P 1 21/a 1 | 12.817; 14.448; 12.783 90; 101.42; 90 | 2320.29 | Konnert, J. A.; Clark, J. R.; Christ, C. L. Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O American Mineralogist, 1970, 55, 1911-1931 |
9000259 | CIF | Fe2.34 Mg0.03 Mn0.63 O8 P2 | P 1 21/a 1 | 10.437; 4.768; 6.026 90; 90; 90 | 299.876 | Moore, P. B. Sarcopside: Its atomic arrangement American Mineralogist, 1972, 57, 24-35 |
9000264 | CIF | B6 Ca H10 O15 | P 1 21/a 1 | 12.882; 16.36; 6.558 90; 121.62; 90 | 1176.92 | Konnert, J. A.; Clark, J. R.; Christ, C. L. Gowerite, CaB5O8(OH).B(OH)3.3H2O: Crystal structure and comparison with related borates American Mineralogist, 1972, 57, 381-396 |
9000285 | CIF | Ca3 Mg O8 Si2 | P 1 21/a 1 | 13.254; 5.293; 9.328 90; 91.9; 90 | 654.031 | Moore, P. B.; Araki, T. Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed structure of geophysical interest American Mineralogist, 1972, 57, 1355-1374 |
9000381 | CIF | As2 B12 Ca4 H40 Mg O48 | P 1 21/a 1 | 15.675; 19.92; 6.255 90; 99.33; 90 | 1927.26 | Dal Negro, A.; Kumbasar, I.; Ungaretti, L. The crystal structure of teruggite American Mineralogist, 1973, 58, 1034-1043 |
9000399 | CIF | Cu2 H7 O9 P Zn | P 1 21/a 1 | 9.8275; 10.2244; 7.5322 90; 103.18; 90 | 736.901 | Ghose, S.; Leo, S. R.; Wan, C. Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3.2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution Locality: Arakawa mine, Japan American Mineralogist, 1974, 59, 573-581 |
9000403 | CIF | Be Ca H O5 P | P 1 21/a 1 | 9.789; 7.661; 4.804 90; 90.02; 90 | 360.269 | Lager, G. A.; Gibbs, G. V. A refinement of the crystal structure of herderite, CaBePO4OH American Mineralogist, 1974, 59, 919-925 |
9000420 | CIF | Be2 Ca O8 P2 | P 1 21/a 1 | 8.299; 8.782; 7.798 90; 90.5; 90 | 568.311 | Lindbloom, J. T.; Gibbs, G. V.; Ribbe, P. H. The crystal structure of hurlbutite: A comparison with danburite and anorthite American Mineralogist, 1974, 59, 1267-1271 |
9000422 | CIF | Mg1.999 Nd4 O22 Si4 Ti3.001 | P 1 21/a 1 | 13.328; 5.727; 10.971 90; 100.91; 90 | 822.275 | Calvo, C.; Faggiani, R. A re-investigation of the crystal structures of chevkinite and perrierite Coordinates to O8 revised by Dr. Zhuming Yang, December 2001 American Mineralogist, 1974, 59, 1277-1285 |
9000423 | CIF | Co2 Nd4 O22 Si4 Ti3 | P 1 21/a 1 | 13.325; 5.706; 10.998 90; 100.82; 90 | 821.339 | Calvo, C.; Faggiani, R. A re-investigation of the crystal structures of chevkinite and perrierite American Mineralogist, 1974, 59, 1277-1285 |
9000424 | CIF | La4 Mg2 O22 Si4 Ti3 | P 1 21/a 1 | 13.818; 5.677; 11.787 90; 113.85; 90 | 845.672 | Calvo, C.; Faggiani, R. A re-investigation of the crystal structures of chevkinite and perrierite American Mineralogist, 1974, 59, 1277-1285 |
9000442 | CIF | B H Mg O3 | P 1 21/a 1 | 12.577; 10.393; 3.139 90; 95.9; 90 | 408.134 | Takeuchi, Y.; Kudoh, Y. Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and polymorphism American Mineralogist, 1975, 60, 273-279 |
9000451 | CIF | Fe3 H2 O9 P2 | P 1 21/a 1 | 9.431; 10.066; 8.04 90; 117.6; 90 | 676.401 | Moore, P. B.; Araki, T. The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of Fe3(H2O)[PO4]2 American Mineralogist, 1975, 60, 454-459 |
9000456 | CIF | Ga2.003 O8 Si1.997 Sr | P 1 21/a 1 | 9.0009; 9.484; 8.3987 90; 90.682; 90 | 716.9 | Phillips, M. W.; Kroll, H.; Pentinghaus, H.; Ribbe, P. H. The structures of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8 American Mineralogist, 1975, 60, 659-666 |
9000457 | CIF | Ga2 Ge2 O8 Sr | P 1 21/a 1 | 9.2056; 9.6602; 8.5834 90; 90.432; 90 | 763.282 | Phillips, M. W.; Kroll, H.; Pentinghaus, H.; Ribbe, P. H. The structure of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8 American Mineralogist, 1975, 60, 659-666 |
9000489 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.069; 8.722; 6.566 90; 113.86; 90 | 370.234 | Speer, J. A.; Gibbs, G. V. The crystal structure of synthetic titanite, CaTiOSiO4, and the domain textures of natural titanites American Mineralogist, 1976, 61, 238-247 |
9000509 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.068; 8.714; 6.562 90; 113.82; 90 | 369.731 | Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 25 deg C American Mineralogist, 1976, 61, 435-447 |
9000510 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.067; 8.726; 6.568 90; 113.77; 90 | 370.668 | Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 165 deg C American Mineralogist, 1976, 61, 435-447 |
9000518 | CIF | Al2 Ca2 H6 O22 Si6 Sn | P 1 21/a 1 | 15.892; 7.721; 7.438 90; 101.34; 90 | 894.841 | Kossiakoff, A. A.; Leavens, P. B. The crystal structure of eakerite, a calcium-tin silicate Note: z-coordinate of Si2 altered American Mineralogist, 1976, 61, 956-962 |
9000542 | CIF | Al2 Ca0.13 O8 Si2 Sr0.87 | P 1 21/a 1 | 8.888; 9.344; 8.326 90; 90.33; 90 | 691.458 | Griffen, D. T.; Ribbe, P. H.; Gibbs, G. V. The structure of slawsonite, a strontium analog of paracelsian American Mineralogist, 1977, 62, 31-35 |
9000547 | CIF | Cu5 O12 P2 | P 1 21/a 1 | 9.186; 10.684; 4.461 90; 92.31; 90 | 437.461 | Anderson, J. B.; Shoemaker, G. L.; Kostiner, E.; Ruszala, F. A. The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of pseudomalachite American Mineralogist, 1977, 62, 115-121 |
9000587 | CIF | B12 H16 Mg Na2 O28 | P 1 21/a 1 | 18.886; 7.521; 7.815 90; 97.72; 90 | 1099.99 | Ghose, S.; Wan, C. Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of hexaborate polyanions American Mineralogist, 1977, 62, 979-989 |
9000588 | CIF | Fe9 H5 O25 Si6 | P 1 21/a 1 | 10.786; 18.88; 9.564 90; 107.45; 90 | 1857.98 | Fleet, M. E. The crystal structure of deerite Note: sample is from a riebeckite-deerite-garnet schist near Panoche, San Benito County, California, USA American Mineralogist, 1977, 62, 990-998 |
9000590 | CIF | Al1.85 Ca2.89 K0.51 O15 S0.95 Si3.15 | P 1 21/a 1 | 24.03; 5.11; 10.88 90; 106.94; 90 | 1278.02 | Mellini, M.; Merlino, S.; Rossi, G. The crystal structure of tuscanite Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy American Mineralogist, 1977, 62, 1114-1120 |
9000765 | CIF | As2 O5 Pb2 | P 1 21/a 1 | 13.584; 5.65; 8.551 90; 108.78; 90 | 621.346 | Araki, T.; Moore, P. B.; Brunton, G. D. The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups American Mineralogist, 1980, 65, 340-345 |
9000924 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.05; 8.681; 6.539 90; 113.9; 90 | 365.879 | Hollabaugh, C. L.; Foit, F. F. The crystal structure of an Al-rich titanite from Grisons, Switzerland American Mineralogist, 1984, 69, 725-732 |
9000937 | CIF | Fe2.11 Ni0.89 O8 P2 | P 1 21/a 1 | 10.363; 4.732; 5.99 90; 90.91; 90 | 293.699 | Ericsson, T.; Nord, A. G. Strong cation ordering in olivine-related (Ni,Fe)-sarcopsides: a combined Mossbauer, X-ray and neutron diffraction study neutron diffraction American Mineralogist, 1984, 69, 889-895 |
9000941 | CIF | Be2 Ce0.08 Dy0.112 Er0.042 Fe0.864 Gd0.084 Nd0.14 O10 Si2 Sm0.084 Y1.3 | P 1 21/a 1 | 10; 7.565; 4.768 90; 90.31; 90 | 360.694 | Miyawaki, R.; Nakai, I.; Nagashima, K. A refinement of the crystal structure of gadolinite American Mineralogist, 1984, 69, 948-953 |
9000981 | CIF | Ca Fe3 H O9 Si2 | P 1 21/a 1 | 13.008; 8.784; 5.836 90; 90.21; 90 | 666.83 | Ghose, S.; Sen Gupta, P. K.; Schlemper, E. O. Electron ordering in ilvaite, a mixed-valence iron silicate: crystal structure refinement at 138 K Sample: T = 138 K American Mineralogist, 1985, 70, 1248-1252 |
9000987 | CIF | As2 Cu3 O8 | P 1 21/a 1 | 5.079; 11.611; 5.394 90; 111.72; 90 | 295.513 | Hawthorne, F. C. Lammerite, Cu3(AsO4)2, a modulated close-packed structure American Mineralogist, 1986, 71, 206-209 |
9001014 | CIF | Al Be H O5 Si | P 1 21/a 1 | 4.78; 14.322; 4.6335 90; 100.31; 90 | 312.084 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = .001 kbar American Mineralogist, 1986, 71, 977-984 |
9001015 | CIF | Al Be O5 Si | P 1 21/a 1 | 4.759; 14.255; 4.612 90; 100.24; 90 | 307.892 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 21 kbar American Mineralogist, 1986, 71, 977-984 |
9001016 | CIF | Al Be O5 Si | P 1 21/a 1 | 4.746; 14.189; 4.599 90; 100.18; 90 | 304.826 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 42 kbar American Mineralogist, 1986, 71, 977-984 |
9001017 | CIF | Al Be O5 Si | P 1 21/a 1 | 4.73; 14.136; 4.58 90; 100.16; 90 | 301.432 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 62 kbar American Mineralogist, 1986, 71, 977-984 |
9001025 | CIF | H7 Mn3 O15 P2 | P 1 21/a 1 | 8.528; 13.166; 11.812 90; 110.05; 90 | 1245.87 | Zanazzi, P. F.; Leavens, P. B.; White, J. S. Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to metaswitzerite, Mn3(PO4)2.4H2O American Mineralogist, 1986, 71, 1224-1228 |
9001039 | CIF | Ca H12 O17 Si2 U2 | P 1 21/a 1 | 13.966; 15.443; 6.632 90; 91.38; 90 | 1429.95 | Viswanathan, K.; Harneit, O. Refined crystal structure of beta-uranophane, Ca(UO2)2(SiO3OH)2.5H2O American Mineralogist, 1986, 71, 1489-1493 |
9001493 | CIF | Be2 Ca3 H10 O20 P4 | P 1 21/a 1 | 7.3482; 15.0522; 7.0685 90; 96.519; 90 | 776.768 | Kampf, A. R. Beryllophosphate chains in the structures of fransoletite, parafransoletite, and ehrleite and some general comments on beryllophosphate linkages American Mineralogist, 1992, 77, 848-856 |
9001845 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.057; 8.71; 6.555 90; 113.84; 90 | 368.535 | Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al American Mineralogist, 1997, 82, 512-516 |
9002233 | CIF | Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 | P 1 21/a 1 | 13.006; 8.808; 5.85 90; 90.34; 90 | 670.146 | Bonazzi, P.; Bindi, L. Structural adjustments induced by heat treatment in ilvaite Sample: RM at room temperature American Mineralogist, 1999, 84, 1604-1612 |
9002234 | CIF | Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 | P 1 21/a 1 | 13.015; 8.803; 5.842 90; 90.16; 90 | 669.321 | Bonazzi, P.; Bindi, L. Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 400 deg C American Mineralogist, 1999, 84, 1604-1612 |
9002235 | CIF | Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 | P 1 21/a 1 | 13.014; 8.807; 5.846 90; 90.1; 90 | 670.034 | Bonazzi, P.; Bindi, L. Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 450 deg C American Mineralogist, 1999, 84, 1604-1612 |
9002435 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0572; 8.7108; 6.5534 90; 113.786; 90 | 368.643 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #001 at P = 0.21 GPa, T = 300 K American Mineralogist, 2000, 85, 1465-1473 |
9002436 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0512; 8.7141; 6.5521 90; 113.735; 90 | 368.54 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #002 at P = 0.87 GPa, T = 609 K American Mineralogist, 2000, 85, 1465-1473 |
9002437 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0494; 8.7102; 6.5484 90; 113.742; 90 | 368.054 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #003 at P = 0.71 GPa, T = 483 K American Mineralogist, 2000, 85, 1465-1473 |
9002438 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0442; 8.7132; 6.5476 90; 113.705; 90 | 367.968 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #004 at P = 1.21 GPa, T = 670 K American Mineralogist, 2000, 85, 1465-1473 |
9002439 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0391; 8.71; 6.5433 90; 113.686; 90 | 367.379 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #005 at P = 1.26 GPa, T = 648 K American Mineralogist, 2000, 85, 1465-1473 |
9002440 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0411; 8.7106; 6.5441 90; 113.682; 90 | 367.565 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #006 at P = 1.23 GPa, T = 628 K American Mineralogist, 2000, 85, 1465-1473 |
9002442 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0187; 8.6965; 6.5243 90; 113.594; 90 | 364.941 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #008 at P = 1.69 GPa, T = 518 K American Mineralogist, 2000, 85, 1465-1473 |
9002443 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0186; 8.6983; 6.5272 90; 113.617; 90 | 365.109 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #009 at P = 1.77 GPa, T = 555 K American Mineralogist, 2000, 85, 1465-1473 |
9002451 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.982; 8.6748; 6.4924 90; 113.498; 90 | 360.619 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #017 at P = 2.66 GPa, T = 303 K American Mineralogist, 2000, 85, 1465-1473 |
9002476 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.9982; 8.6853; 6.5079 90; 113.523; 90 | 362.689 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #042 at P = 2.25 GPa, T = 440 K American Mineralogist, 2000, 85, 1465-1473 |
9002477 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.999; 8.686; 6.5073 90; 113.521; 90 | 362.731 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #043 at P = 2.16 GPa, T = 399 K American Mineralogist, 2000, 85, 1465-1473 |
9002478 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.9984; 8.6846; 6.5063 90; 113.521; 90 | 362.586 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #044 at P = 2.05 GPa, T = 354 K American Mineralogist, 2000, 85, 1465-1473 |
9002479 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0014; 8.6869; 6.5081 90; 113.533; 90 | 362.905 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #045 at P = 1.88 GPa, T = 301 K American Mineralogist, 2000, 85, 1465-1473 |
9002638 | CIF | H8 K2 Mg O12 S2 | P 1 21/a 1 | 11.778; 9.469; 9.851 90; 95.26; 90 | 1094.02 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K American Mineralogist, 2001, 86, 1282-1292 |
9002641 | CIF | H8 K2 Mn O12 S2 | P 1 21/a 1 | 12.031; 9.531; 9.902 90; 95.02; 90 | 1131.08 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K American Mineralogist, 2001, 86, 1282-1292 |
9002644 | CIF | Fe H8 K2 O12 S2 | P 1 21/a 1 | 11.834; 9.502; 9.913 90; 94.87; 90 | 1110.66 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K American Mineralogist, 2001, 86, 1282-1292 |
9002662 | CIF | Ca0.64 H2 Mg0.04 Mn6.28 O14 Si3 Zn0.04 | P 1 21/a 1 | 10.8259; 4.8565; 11.3758 90; 103.956; 90 | 580.439 | Welch, M. D.; Marshall, W. G.; Ross, N. L.; Knight, K. S. H positions in leucophoenicite, Mn7Si3(OH)2: A close relative of the hydrous B phases American Mineralogist, 2002, 87, 154-159 |
9002886 | CIF | Al3.11 Ca1.11 Ce2.89 Fe0.35 H2 Mg0.54 O22 Si5 | P 1 21/a 1 | 17.77; 5.651; 17.458 90; 116.18; 90 | 1573.26 | Bonazzi, P.; Bindi, L.; Parodi, G. C. Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: Crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce) American Mineralogist, 2003, 88, 223-228 |
9003066 | CIF | Ca O6 Ti2 | P 1 21/a 1 | 5.275; 9.009; 9.557 90; 90.43; 90 | 454.16 | Grey, I. E.; Mumme, W. G.; Pekov, I. V.; Pushcharovsky, D. Y. The crystal structure of chromian kassite from the Saranovskoye deposit, Northern Urals, Russia American Mineralogist, 2003, 88, 1331-1335 |
9003083 | CIF | C D K O3 | P 1 21/a 1 | 15.192; 5.629; 3.7067 90; 104.538; 90 | 306.832 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0 GPa American Mineralogist, 2003, 88, 1446-1451 |
9003084 | CIF | C D K O3 | P 1 21/a 1 | 15.103; 5.6152; 3.6963 90; 104.19; 90 | 303.905 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0.2 GPa American Mineralogist, 2003, 88, 1446-1451 |
9003085 | CIF | C D K O3 | P 1 21/a 1 | 14.746; 5.555; 3.6452 90; 102.87; 90 | 291.092 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 1.8 GPa American Mineralogist, 2003, 88, 1446-1451 |
9003086 | CIF | C D K O3 | P 1 21/a 1 | 14.481; 5.51; 3.616 90; 101.94; 90 | 282.28 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.3 GPa American Mineralogist, 2003, 88, 1446-1451 |
9003087 | CIF | C D K O3 | P 1 21/a 1 | 14.379; 5.494; 3.609 90; 101.64; 90 | 279.241 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.5 GPa American Mineralogist, 2003, 88, 1446-1451 |
9003449 | CIF | As0.975 S3 Sb1.025 | P 1 21/a 1 | 11.949; 9.028; 10.13 90; 116.15; 90 | 980.926 | Kyono, A.; Kimata, M. Structural reinvestigation of getchellite As0.98Sb1.02S3.00 American Mineralogist, 2004, 89, 696-700 |
9003663 | CIF | Ca Ge O5 Ti0.954 Zr0.046 | P 1 21/a 1 | 7.15; 8.89941; 6.65482 90; 113.73; 90 | 387.649 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti95, titanite structure American Mineralogist, 2005, 90, 687-694 |
9003664 | CIF | Ca Ge O5 Ti0.908 Zr0.091 | P 1 21/a 1 | 7.15461; 8.90612; 6.65901 90; 113.701; 90 | 388.523 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti90, titanite structure American Mineralogist, 2005, 90, 687-694 |
9003762 | CIF | Ca Ge O5 Ti | P 1 21/a 1 | 7.158; 8.885; 6.649 90; 113.834; 90 | 386.806 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4 American Mineralogist, 2005, 90, 1325-1334 |
9003763 | CIF | Ca Ge0.901 O5 Si0.098 Ti | P 1 21/a 1 | 7.14287; 8.8782; 6.64268 90; 113.833; 90 | 385.33 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003764 | CIF | Ca Ge0.871 O5 Si0.128 Ti | P 1 21/a 1 | 7.1346; 8.87346; 6.63886 90; 113.738; 90 | 384.738 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003765 | CIF | Ca Ge0.678 O5 Si0.321 Ti | P 1 21/a 1 | 7.11815; 8.83215; 6.61777 90; 113.767; 90 | 380.765 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003766 | CIF | Ca Ge0.49 O5 Si0.51 Ti | P 1 21/a 1 | 7.09534; 8.79173; 6.5962 90; 113.757; 90 | 376.606 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003767 | CIF | Ca Ge0.336 O5 Si0.663 Ti | P 1 21/a 1 | 7.09137; 8.78567; 6.59344 90; 113.766; 90 | 375.952 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003768 | CIF | Ca Ge0.2 O5 Si0.799 Ti | P 1 21/a 1 | 7.07182; 8.74371; 6.57304 90; 113.782; 90 | 371.925 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003769 | CIF | Ca Ge0.096 O5 Si0.903 Ti | P 1 21/a 1 | 7.06582; 8.73056; 6.56626 90; 113.782; 90 | 370.668 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #10, CaTiO(Ge.10Si.90)O4 American Mineralogist, 2005, 90, 1325-1334 |
9003814 | CIF | C2 H2 O12 Pb4 S | P 1 21/a 1 | 9.104; 20.792; 11.577 90; 90.5; 90 | 2191.33 | Bindi, L.; Menchetti, S. Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C American Mineralogist, 2005, 90, 1641-1647 |
9004183 | CIF | H8 Mg Na2 O12 S2 | P 1 21/a 1 | 11.126; 8.242; 5.539 90; 100.84; 90 | 498.866 | Hawthorne, F. C. Refinement of the crystal structure of bloedite: Structural similarities in the [M(T_4)2_n] finite-cluster minerals The Canadian Mineralogist, 1985, 23, 669-674 |
9004262 | CIF | B3 Ca0.94 H5 O8 | P 1 21/a 1 | 8.712; 11.247; 6.091 90; 110.12; 90 | 560.398 | Burns, P. C.; Hawthorne, F. C. Hydrogen bonding in colemanite: An X-ray and structure-energy study The Canadian Mineralogist, 1993, 31, 297-304 |
9004343 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.415; 8.213; 9.951 90; 114.05; 90 | 1075.83 | Burns, P. C.; Hawthorne, F. C. Hydrogen bonding in tunellite The Canadian Mineralogist, 1994, 32, 895-902 |
9004386 | CIF | Ca2 F2 Lu Na O7 Si2 | P 1 21/a 1 | 11.024; 10.303; 7.391 90; 109.4; 90 | 791.809 | Fleet, M. E.; Pan, Y. The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group The Canadian Mineralogist, 1995, 33, 879-884 |
9004557 | CIF | Ca0.83 F Mn Na1.17 O8 Si2 Ti0.612 Zr0.388 | P 1 21/a 1 | 10.798; 9.835; 7.09 90; 108.08; 90 | 715.769 | Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S. The crystal structure of normandite and its crystal-chemical relationships with lavenite The Canadian Mineralogist, 2000, 38, 641-648 |
9004558 | CIF | Ca0.936 F Mn0.784 Na1.28 Nb0.124 O8 Si2 Ti0.876 | P 1 21/a 1 | 10.799; 9.801; 7.054 90; 108.075; 90 | 709.758 | Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S. The crystal structure of normandite and its crystal-chemical relationships with lavenite The Canadian Mineralogist, 2000, 38, 641-648 |
9004608 | CIF | Be F0.08 Fe0.226 H0.92 Mn0.774 O4.92 P0.988 | P 1 21/a 1 | 5.4044; 14.5145; 4.7052 90; 102.798; 90 | 359.917 | Huminicki, D. M. C.; Hawthorne, F. C. Refinement of the crystal structure of vayrynenite The Canadian Mineralogist, 2000, 38, 1425-1432 |
9004925 | CIF | B14 Ca H16 O31 Sr | P 1 21/a 1 | 12.8171; 14.4576; 12.8008 90; 101.327; 90 | 2325.84 | Grice, J. D. Strontioginorite: crystal-structure analysis and hydrogen bonding Sample: Penobsquis, Kings County, New Brunswick, Canada The Canadian Mineralogist, 2005, 43, 1019-1026 |
9004926 | CIF | Ca0.903 Fe2.497 H Mn0.6 O9 Si2 | P 1 21/a 1 | 13.025; 8.8514; 5.8486 90; 90.167; 90 | 674.279 | Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K. Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: powder X-ray + neutron analysis The Canadian Mineralogist, 2005, 43, 1043-1053 |
9004927 | CIF | Ca Fe2.44 H Mn0.56 O9 Si2 | P 1 21/a 1 | 13.015; 8.843; 5.8396 90; 90.11; 90 | 672.088 | Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K. Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: single crystal X-ray analysis The Canadian Mineralogist, 2005, 43, 1043-1053 |
9004961 | CIF | C Ca5 O11 Si2 | P 1 21/a 1 | 10.484; 6.712; 14.156 90; 101.27; 90 | 976.93 | Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist, 2005, 43, 1489-1500 |
9004962 | CIF | C2 Ca5 O13 Si2 | P 1 21/a 1 | 15.082; 10.236; 7.572 90; 105.17; 90 | 1128.23 | Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist, 2005, 43, 1489-1500 |
9005035 | CIF | Ca F2 Na2 O7 Si2 Zr | P 1 21/a 1 | 10.1173; 10.4446; 7.2555 90; 90.039; 90 | 766.697 | Merlino, S.; Perchiazzi, N.; Khomyakov, A. P.; Pushcharovsky, D. Y.; Kulikova, I. M.; Kuzmin, V. I. Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: its crystal structure and OD character European Journal of Mineralogy, 1990, 2, 177-185 |
9005080 | CIF | Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 | P 1 21/a 1 | 7.057; 8.707; 6.555 90; 113.81; 90 | 368.494 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites European Journal of Mineralogy, 1991, 3, 777-792 |
9005191 | CIF | Al0.09 Ca Fe2.79 H Mg0.02 Mn0.1 O9 Si2 | P 1 21/a 1 | 13.006; 8.808; 5.858 90; 90.31; 90 | 671.064 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-2 European Journal of Mineralogy, 1994, 6, 465-479 |
9005192 | CIF | Al0.09 Ca Fe2.78 H Mg0.02 Mn0.1 O9 Si2 | P 1 21/a 1 | 13.014; 8.811; 5.852 90; 90.07; 90 | 671.027 | Carrozzini, B. Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Cinco Villas X-3 European Journal of Mineralogy, 1994, 6, 465-479 |
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