Crystallography Open Database
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Searching space group like 'P 1 2/n 1'
COD ID: 1001851 | |
CIF file | Formula: - H4 N4 S28 - Comments: Fernandez, H G; Gasperin, M; Freymann, R Cristallochimie - etude structurale, chimique et par spectrographie infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4) Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 292 (1981) 1393-1396 Space group: P 1 2/n 1 Cell volume: 833.8 Cell parameters: 8.44; 13.034; 8.203; 90; 112.49; 90; |
COD ID: 1007085 | |
CIF file | Formula: - Ba2 O30 P10 Zn3 - Comments: Bagieu-Beucher, M; Durif, A; Guitel, J C Ba~2~ Zn~3~ P~10~ O~30~, the first example of a Decametaphosphate Ring Journal of Solid State Chemistry 40 (1981) 248-248 Space group: P 1 2/n 1 Cell volume: 1233.7 Cell parameters: 21.738; 5.356; 10.748; 90; 99.65; 90; |
COD ID: 1007089 | |
CIF file | Formula: - Ba2 O30 P10 Zn3 - Comments: Bagieu-Beucher, M; Durif, A; Guitel, J C Crystal Structure of a Barium-Zinc Decametaphosphate Ba~2~ Zn~3~ P~10~ O~30~ Journal of Solid State Chemistry 45 (1982) 159-163 Space group: P 1 2/n 1 Cell volume: 1233.7 Cell parameters: 21.738; 5.356; 10.748; 90; 99.65; 90; |
COD ID: 1100343 | |
CIF file | Formula: - C31 H42 B N O8 - Comments: Reetz, Manfred T.; Niemeyer, Christof M.; Harms, Klaus Heterotopic Host Molecules for Binding Two Different Guests Angewandte Chemie, International Edition in English 30(11) (1991) 1474-1476 Space group: P 1 2/n 1 Cell volume: 3057.85 Cell parameters: 15.359; 9.994; 20.678; 90; 105.55; 90; |
COD ID: 1100374 | |
CIF file | Formula: - C25 H25 Fe P5 - Comments: Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation Journal of the American Chemical Society 116(14) (1994) 6217-6219 Space group: P 1 2/n 1 Cell volume: 2465.61 Cell parameters: 16.01; 9.727; 16.193; 90; 102.11; 90; |
COD ID: 1100497 | |
CIF file | Formula: - C56 H40 Br5 P - Comments: Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~] Chemische Berichte 129(1) (1996) 115-120 Space group: P 1 2/n 1 Cell volume: 2435.14 Cell parameters: 15.383; 8.53; 18.636; 90; 95.24; 90; |
COD ID: 1100700 | |
CIF file | Formula: - C12 H12 Ag F6 N2 P S - Comments: Caradoc-Davies, Paula L.; Hanton, Lyall R.; Lee, Kitty Extension of a π-stacked N~2~S ligand to form bi- and tri-nuclear silver(I) complexes Chemical Communications (Cambridge, United Kingdom) (issue 9) (2000) 783-784 Space group: P 1 2/n 1 Cell volume: 1549.7 Cell parameters: 13.657; 8.278; 14.071; 90; 103.063; 90; |
COD ID: 1100777 | |
CIF file | Formula: - Na2 O8 S2 Zn - Comments: Rolf W. Berg; Niels Thorup The Reaction between ZnO and Molten Na2S2O7 or K2S2O7 Forming Na2Zn(SO4)2 or K2Zn(SO4)2, Studied by Raman Spectroscopy and X-ray Diffraction Inorganic Chemistry 44 (2005) 3485-3493 Space group: P 1 2/n 1 Cell volume: 1348.1 Cell parameters: 8.648; 10.323; 15.103; 90; 90.879; 90; |
COD ID: 1500015 | |
CIF file | Formula: - C17 H14 Cu N8 O7 - Comments: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron 27 (2008) 2779-2784 Space group: P 1 2/n 1 Cell volume: 1986.1 Cell parameters: 14.8687; 7.347; 18.2668; 90; 95.563; 90; |
COD ID: 1502263 | |
CIF file | Formula: - C46 H34 O2 - Comments: Zhang, Xiangdong; Ye, Junwei; Wang, Suning; Gong, Weitao; Lin, Yuan; Ning, Guiling Heterocyclic radical mediated synthesis and fluorescence properties of conjugated polyene ketones. Organic letters 13(14) (2011) 3608-3611 Space group: P 1 2/n 1 Cell volume: 1745.2 Cell parameters: 12.969; 8.948; 15.068; 90; 93.586; 90; |
COD ID: 1502841 | |
CIF file | Formula: - C118 H179 N15 O12 P2 - Comments: Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz 7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol. Organic letters 12(5) (2010) 1076-1078 Space group: P 1 2/n 1 Cell volume: 5707.6 Cell parameters: 18.2601; 12.6607; 24.7388; 90; 93.657; 90; |
COD ID: 1504990 | |
CIF file | Formula: - C16 H22 O2 - Comments: Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J. Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers. Organic letters 10(24) (2008) 5621-5624 Space group: P 1 2/n 1 Cell volume: 3047.9 Cell parameters: 17.2971; 10.1245; 17.4254; 90; 92.827; 90; |
COD ID: 1506930 | |
CIF file | Formula: - C60 H54 F12 N10 O4 P2 Ru2 - Comments: Rastegar, Majid F.; Todd, Erin K.; Tang, Hongding; Wang, Zhi Yuan A new class of near-infrared electrochromic oxamide-based dinuclear ruthenium complexes. Organic letters 6(24) (2004) 4519-4522 Space group: P 1 2/n 1 Cell volume: 3252.5 Cell parameters: 11.413; 12.631; 22.655; 90; 95.192; 90; |
COD ID: 1507968 | |
CIF file | Formula: - C41 H32 B2 Cl2 F16 P2 Pt S2 - Comments: Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. A coordination chemistry dichotomy for icosahedral carborane-based ligands. Nature chemistry 3(8) (2011) 590-596 Space group: P 1 2/n 1 Cell volume: 2197.3 Cell parameters: 10.9643; 14.7439; 13.67; 90; 96.109; 90; |
COD ID: 1508108 | |
CIF file | Formula: - C46 H60 Mg2 N4 - Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869 Space group: P 1 2/n 1 Cell volume: 2146.8 Cell parameters: 13.475; 8.2292; 19.771; 90; 101.7; 90; |
COD ID: 1510564 | |
CIF file | Formula: - Au5 F21 Y2 - Comments: Mueller, B.G.; Fitz, H. Synthese und Struktur neuer Tetrafluroaurate(III), Tl F2 (Au F4), M2 F (Au F4)5 (M = Bi, La, Y) und Sm (Au F4)3 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 126-132 Space group: P 1 2/n 1 Cell volume: 849.062 Cell parameters: 11.889; 7.974; 8.957; 90; 89.18; 90; |
COD ID: 1511855 | |
CIF file | Formula: - C40 H54 - Comments: Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides. Organic letters 15(6) (2013) 1222-1225 Space group: P 1 2/n 1 Cell volume: 1690.4 Cell parameters: 9.87; 9.2819; 18.478; 90; 93.06; 90; |
COD ID: 1512154 | |
CIF file | Formula: - C77 H75 Cl9 O16 - Comments: Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford Bioactive Compounds from the Roots of Strophioblachia fimbricalyx. Journal of natural products 76(7) (2013) 1358-1364 Space group: P 1 2/n 1 Cell volume: 7442.2 Cell parameters: 21.7937; 7.7597; 45.2891; 90; 103.665; 90; |
COD ID: 1512624 | |
CIF file | Formula: - C48 H52 Cu4 N12 O16 - Comments: Malinkin, Sergej; Penkova, Larysa; Moroz, Yurii; Maciag, Anna; Haukka, Matti; Szebesczyk, Agnieszka; Kozlowski, Henryk; Gumienna-Kontecka, Elzbieta; Pavlenko, Vadim; Meyer, Franc; Nordlander, Ebbe; Fritsky, Igor Novel pyrazolate-based copper(II) [2x2] grid complexes: Synthesis, structure and properties Inorganica Chimica Acta 392 (2012) 322-330 Space group: P 1 2/n 1 Cell volume: 5162.4 Cell parameters: 19.3907; 13.5643; 21.5049; 90; 114.12; 90; |
COD ID: 1513090 | |
CIF file | Formula: - C72 Er F60 N3 O6 P6 - Comments: Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C 117(45) (2013) 23970 Space group: P 1 2/n 1 Cell volume: 4009.2 Cell parameters: 12.3554; 13.8738; 23.392; 90; 90.974; 90; |
COD ID: 1513785 | |
CIF file | Formula: - C21 H22 N2 O2 - Comments: Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki Biogenetically inspired synthesis and skeletal diversification of indole alkaloids. Nature chemistry 6(1) (2014) 57-64 Space group: P 1 2/n 1 Cell volume: 1626.5 Cell parameters: 8.3047; 7.7059; 25.706; 90; 98.62; 90; |
COD ID: 1514589 | |
CIF file | Formula: - C45 H59 Au B F4 N2 P - Comments: Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science 4(3) (2013) 1023 Space group: P 1 2/n 1 Cell volume: 5293.2 Cell parameters: 11.8034; 8.9229; 50.327; 90; 92.992; 90; |
COD ID: 1514765 | |
CIF file | Formula: - C200 H256 Si8 - Comments: Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki Bottom-up synthesis and structures of π-lengthened tubular macrocycles Chemical Science 4(8) (2013) 3179 Space group: P 1 2/n 1 Cell volume: 8997 Cell parameters: 16.179; 17.461; 32.012; 90; 95.835; 90; |
COD ID: 1515097 | |
CIF file | Formula: - C136 H104 Ag4 F12 N16 O12 S4 - Comments: Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science 3(10) (2012) 3081 Space group: P 1 2/n 1 Cell volume: 6900.7 Cell parameters: 17.1508; 16.7972; 24.955; 90; 106.286; 90; |
COD ID: 1515704 | |
CIF file | Formula: - C27 H23 Ag N4 O2 - Comments: Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies. Metallomics : integrated biometal science 3(1) (2011) 74-88 Space group: P 1 2/n 1 Cell volume: 2371.4 Cell parameters: 15.3823; 7.83949; 19.8044; 90; 96.7996; 90; |
COD ID: 1515953 | |
CIF file | Formula: - C31 H30 O - Comments: Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 8(7) (2009) 961-969 Space group: P 1 2/n 1 Cell volume: 1120 Cell parameters: 8.1279; 6.3065; 22.035; 90; 97.416; 90; |
COD ID: 1516236 | |
CIF file | Formula: - C49 H36 O5 - Comments: Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters 16(11) (2014) 3068-3071 Space group: P 1 2/n 1 Cell volume: 2031.68 Cell parameters: 9.772; 12.0351; 17.3162; 90; 93.947; 90; |
COD ID: 1516466 | |
CIF file | Formula: - C134 H142 Cl20 N68 O89 Zn4 - Comments: Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains Polymer Chemistry 5(18) (2014) 5211-5217 Space group: P 1 2/n 1 Cell volume: 11837.5 Cell parameters: 23.2417; 17.5255; 30.5983; 90; 108.234; 90; |
COD ID: 1516656 | |
CIF file | Formula: - C40 H26 N4 O2 - Comments: Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters 9(2) (2007) 235-238 Space group: P 1 2/n 1 Cell volume: 1504.69 Cell parameters: 14.9947; 7.2016; 15.2457; 90; 113.94; 90; |
COD ID: 1518316 | |
CIF file | Formula: - C56 H66 Cd2 N8 O11 - Comments: Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand Inorganica Chimica Acta 425 (2015) 17-27 Space group: P 1 2/n 1 Cell volume: 2976 Cell parameters: 15.69; 9.0941; 21.264; 90; 101.23; 90; |
COD ID: 1518366 | |
CIF file | Formula: - C74 H77 Cl4 Cs N4 O7 - Comments: Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles Chem. Sci. 6(2) (2015) 1404 Space group: P 1 2/n 1 Cell volume: 14087.7 Cell parameters: 28.4416; 17.3237; 28.5922; 90; 90.135; 90; |
COD ID: 1518504 | |
CIF file | Formula: - C19 H20 N2 Se - Comments: Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci. 6(3) (2015) 1895 Space group: P 1 2/n 1 Cell volume: 834.42 Cell parameters: 8.3318; 7.4265; 13.6459; 90; 98.798; 90; |
COD ID: 1519432 | |
CIF file | Formula: - C394 H336 Cl20 N62 O76 Zn10 - Comments: Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci. 6(6) (2015) 3533 Space group: P 1 2/n 1 Cell volume: 22089 Cell parameters: 21.4479; 30.381; 34.189; 90; 97.46; 90; |
COD ID: 1519435 | |
CIF file | Formula: - C390 H330 Br Cl19 N60 O76 Zn10 - Comments: Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci. 6(6) (2015) 3533 Space group: P 1 2/n 1 Cell volume: 22115 Cell parameters: 21.4814; 30.514; 34.022; 90; 97.399; 90; |
COD ID: 1519880 | |
CIF file | Formula: - C27 H36 B Cl F2 N2 - Comments: Aldridge, Simon; Callear, Samantha K.; Hursthouse, Michael B. C27H36BClF2N2 Crystal Structure Report Archive (2008) 618 Space group: P 1 2/n 1 Cell volume: 1385.8 Cell parameters: 12.4636; 7.3364; 15.1611; 90; 91.529; 90; |
COD ID: 1520360 | |
CIF file | Formula: - C24 H16 N2 O4 - Comments: Holliman, Peter J.; Callear, Samantha K.; Hursthouse, Michael B. C24H16N2O4 Crystal Structure Report Archive (2009) 667 Space group: P 1 2/n 1 Cell volume: 3835.1 Cell parameters: 22.6513; 7.5907; 22.7311; 90; 101.11; 90; |
COD ID: 1521075 | |
CIF file | Formula: - Ba Fe2 O12 Se4 - Comments: Giester, G. Syntheses and crystal structures of the new compounds Ba Fe2 (Se O3)4, Ag Fe (Se O3)2 and Rb Fe (Se O4) (Se O3) Journal of Alloys Compd. 308 (2000) 71-76 Space group: P 1 2/n 1 Cell volume: 557.01 Cell parameters: 10.098; 5.238; 10.595; 90; 96.31; 90; |
COD ID: 1521965 | |
CIF file | Formula: - H13 N3 O8 S2 - Comments: Sooryanarayana, K.; Guru Row, T.N.; Robinson, W.T. Phase transitions in triammonium hydrogen disulphate: crystal structure of an intermediate stable phase at -90 C Phase Transition 69 (1999) 429-438 Space group: P 1 2/n 1 Cell volume: 922.256 Cell parameters: 15.727; 5.883; 10.178; 90; 101.66; 90; |
COD ID: 1525557 | |
CIF file | Formula: - K2.473 Nb2.844 O17 P2.5 Ti1.156 - Comments: Alekseeva, O.A.; Sorokina, N.I.; Blomberg, M.K.; Verin, I.A.; Losevskaya, T.Yu.; Simonov, V.I.; Yanovskii, V.K.; Voronkova, V.I. The crystal structure of K2.47 Nb2.85 Ti1.15 P2.5 O17 Kristallografiya 46 (2001) 215-220 Space group: P 1 2/n 1 Cell volume: 1485.67 Cell parameters: 13.7864; 6.4078; 16.9384; 90; 83.15; 90; |
COD ID: 1525558 | |
CIF file | Formula: - K2.92 Nb2.576 O17 P2.5 Ti1.424 - Comments: Alekseeva, O.A.; Sorokina, N.I.; Simonov, V.I.; Verin, I.A.; Yanovskii, V.K.; Losevskaya, T.Yu.; Voronkova, V.I. Synthesis and X-ray diffraction study of K2.92 Nb2.58 Ti1.42 P2.5 O17 single crystals Kristallografiya 46 (2001) 816-822 Space group: P 1 2/n 1 Cell volume: 1484.67 Cell parameters: 13.8; 6.412; 16.893; 90; 83.33; 90; |
COD ID: 1525779 | |
CIF file | Formula: - Cl3 H14 O7 Sc - Comments: Lim, K.C.; Skelton, B.W.; White, A.H. Crystal structures of the 'maximally' hydrated scandium halides, Sc X3 . n(H2 O) (X = Cl, Br, I) Australian Journal of Chemistry 53 (2000) 875-878 Space group: P 1 2/n 1 Cell volume: 531.323 Cell parameters: 7.516; 7.564; 9.468; 90; 99.212; 90; |
COD ID: 1525781 | |
CIF file | Formula: - Br3 H14 O7 Sc - Comments: Lim, K.C.; Skelton, B.W.; White, A.H. Crystal structures of the 'maximally' hydrated scandium halides, ScX3 . n(H2 O) (X = Cl, Br, I) Australian Journal of Chemistry 53 (2000) 875-878 Space group: P 1 2/n 1 Cell volume: 577.659 Cell parameters: 7.714; 7.764; 9.762; 90; 98.876; 90; |
COD ID: 1527650 | |
CIF file | Formula: - Li O8 W2 Yb - Comments: Klevtsova, R.F.; Belov, N.V. Variation on a single wolframite motif in the structures of Li Yb (W O4)2, Li Fe (W O4)2, and Na Fe (W O4)2 Kristallografiya 15 (1970) 43-46 Space group: P 1 2/n 1 Cell volume: 283.655 Cell parameters: 9.89; 5.77; 4.98; 90; 93.5; 90; |
COD ID: 1529230 | |
CIF file | Formula: - C12 H15 Eu N6 O9 S3 - Comments: Golovnev, Nicolay; Molokeev, Maxim Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato) dieuropium(III) Russian Journal of Coordination Chemistry 40(9) (2014) 648 Space group: P 1 2/n 1 Cell volume: 2061.87 Cell parameters: 14.1033; 10.0988; 15.4061; 90; 110.003; 90; |
COD ID: 1530355 | |
CIF file | Formula: - Ca Mo4 O16 U - Comments: Marsh, R.E. On the structure of the series of oxides M(II) U Mo4 O16 Journal of Solid State Chemistry 73 (1988) 577-578 Space group: P 1 2/n 1 Cell volume: 627.021 Cell parameters: 11.447; 6.651; 8.236; 90; 90.44; 90; |
COD ID: 1530826 | |
CIF file | Formula: - F3 H12 Mo2 N3 O10 - Comments: Stomberg, R. Studies on peroxomolybdates. XVI: A new fluoro-bridged tetraperoxodimolybdate. Crystal structure of ammonium mue-fluoro-bis(fluorooxodiperoxomolybdate(VI)), (N H4)3 (F (Mo F O (O2)2)2) Journal of the Less-Common Metals 144 (1988) 109-116 Space group: P 1 2/n 1 Cell volume: 564.504 Cell parameters: 10.686; 6.604; 8.338; 90; 106.39; 90; |
COD ID: 1531997 | |
CIF file | Formula: - Ba Mn O12 Ti5 - Comments: Prieto, A.L.; Siegrist, T.; Schneemeyer, L.F. New barium manganese titanates prepared under reducing conditions Solid State Sciences 4 (2002) 323-327 Space group: P 1 2/n 1 Cell volume: 911.461 Cell parameters: 9.921; 8.9139; 10.309; 90; 91.24; 90; |
COD ID: 1532114 | |
CIF file | Formula: - C2 H24 Al Ce0.44 Nd0.23 O24 S2 Y0.33 - Comments: Rouse, R.C.; Peacor, D.R.; Essene, E.J.; Coskren, T.D.; Lauf, R.J. The new minerals levinsonite-(Y), ((Y, Nd, Ce) Al (S O4)2 (C2 O4) * 12(H2 O)) and zugshunstite-(Ce), ((Ce, Nd, la) Al (S O4)2 (C2 O4) * 12(H2 O)): coexisting oxalates with different structures and differentiation of LREE and HREE Geochimica et Cosmochimica Acta 65 (2001) 1101-1115 Space group: P 1 2/n 1 Cell volume: 992.44 Cell parameters: 10.289; 9.234; 11.015; 90; 108.5; 90; |
COD ID: 1534508 | |
CIF file | Formula: - Cl3 Eu H12 O6 - Comments: Lepert, D.L.; Patrick, J.M.; White, A.H. Structure and Stereochemistry in 'f-Block' Complexes of High Coordination Number. VII The (M(unidentate X)2(unidentate Y)6) System: Crystal Structure of Hexaaquadichloroeuropium(III) Chloride (a Redetermination) Australian Journal of Chemistry 36 (1983) 477-482 Space group: P 1 2/n 1 Cell volume: 499.446 Cell parameters: 9.659; 6.529; 7.936; 90; 93.67; 90; |
COD ID: 1536199 | |
CIF file | Formula: - H43 Mo7 Na7 O46 - Comments: Cruywagen, J.J.; Esterhuysen, M.W.; Heyns, J.B.B. The isolation and X-Ray characterization of a new sodium heptamolybdate compound, Na7 [Mo7 O24] O H * 21 H2 O Inorganica Chimica Acta 348 (2003) 205-211 Space group: P 1 2/n 1 Cell volume: 2071.59 Cell parameters: 12.8407; 9.9279; 16.2632; 90; 92.293; 90; |
COD ID: 1536378 | |
CIF file | Formula: - Cd2 H2 Hg2 O11 S2 - Comments: Weil, M. Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921-927 Space group: P 1 2/n 1 Cell volume: 492.171 Cell parameters: 7.7638; 6.2298; 10.404; 90; 102.023; 90; |
COD ID: 1536381 | |
CIF file | Formula: - Cd2 H2 Hg2 O11 Se2 - Comments: Weil, M. Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se) Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 921-927 Space group: P 1 2/n 1 Cell volume: 521.533 Cell parameters: 7.9895; 6.3307; 10.5738; 90; 102.795; 90; |
COD ID: 1537555 | |
CIF file | Formula: - O3 Pb Si - Comments: Krivovichev, S.V.; Burns, P.C. Crystal structure of synthetic alamosite Pb (Si O3) Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 2004 (2004) 70-76 Space group: P 1 2/n 1 Cell volume: 887.7 Cell parameters: 11.209; 7.041; 12.22; 90; 113.01; 90; |
COD ID: 1542081 | |
CIF file | Formula: - Li3 O4 Ta - Comments: Zocchi, M.; Santoro, A.; Gatti, M.; Roth, R.S. Corrigendum Journal of Solid State Chemistry 53 (1984) 277-278 Space group: P 1 2/n 1 Cell volume: 451.261 Cell parameters: 6.018; 5.995; 12.865; 90; 103.53; 90; |
COD ID: 1542285 | |
CIF file | Formula: - C18 H28 Ga2 N2 O2 - Comments: Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem. 7(11) (2016) 2022 Space group: P 1 2/n 1 Cell volume: 987.2 Cell parameters: 8.0739; 8.5229; 14.463; 90; 97.288; 90; |
COD ID: 1542980 | |
CIF file | Formula: - C28 H44 N4 O6 Rb - Comments: Mayer, Kerstin; Klein, Wilhelm; Fässler, Thomas F. (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium 4,4'-bipyridinidyl IUCrData 1(3) (2016) x160505 Space group: P 1 2/n 1 Cell volume: 1474.34 Cell parameters: 11.2326; 8.025; 16.3653; 90; 91.95; 90; |
COD ID: 1543207 | |
CIF file | Formula: - C13 H32 N3 O4 S - Comments: Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers Polym. Chem. 7(21) (2016) 3496 Space group: P 1 2/n 1 Cell volume: 1828.12 Cell parameters: 15.4997; 7.5991; 16.524; 90; 110.066; 90; |
COD ID: 1543288 | |
CIF file | Formula: - C79 H170 K2 O24 S4.66 Si6 U2 - Comments: Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands Chem. Sci. 7(9) (2016) 5846 Space group: P 1 2/n 1 Cell volume: 11415 Cell parameters: 28.669; 13.985; 28.721; 90; 97.583; 90; |
COD ID: 1543499 | |
CIF file | Formula: - C18 H29 N7 O14 Zn2 - Comments: Loukiala, Satumari; Ratilainen, Jari; Airola, Karri; Valkonen, Jussi; Rissanen, Kari Syntheses and Structures of N,N'-Bis(6-(2-hydroxymethyl) pyridylmethyl)piperazine, Its Two Zinc(II) Complexes and the Cadmium(II) Complex of N-(6-(2-Hydroxymethyl) pyridylmethyl)-N'-(2-pyridylmethyl)piperazine Acta Chemica Scandinavica 52 (1998) 593-602 Space group: P 1 2/n 1 Cell volume: 1312.8 Cell parameters: 10.274; 11.018; 11.615; 90; 93.13; 90; |
COD ID: 1543530 | |
CIF file | Formula: - C7 H10 N8 O S2 - Comments: Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig 1,3-Bis(1-methyl-5-thioxo-1,2,4-triazolin-4-yl)urea IUCrData 1(6) (2016) x160992 Space group: P 1 2/n 1 Cell volume: 1277.11 Cell parameters: 16.51; 4.459; 17.5229; 90; 98.108; 90; |
COD ID: 1543531 | |
CIF file | Formula: - C10 H9 N O4 - Comments: Filali Baba, Yassir; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate IUCrData 1(6) (2016) x160997 Space group: P 1 2/n 1 Cell volume: 1827.14 Cell parameters: 20.7884; 3.7215; 23.8849; 90; 98.582; 90; |
COD ID: 1543663 | |
CIF file | Formula: - C21 H24 Cl3 N5 Na O5.5 - Comments: Abu Thaher, Bassam; Schollmeyer, Dieter; Laufer, Stefan Poly[[tetramethanolbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-6-olato]disodium]–diethyl ether–methanol (1/1/2)] IUCrData 1(7) (2016) x161081 Space group: P 1 2/n 1 Cell volume: 2580 Cell parameters: 11.1721; 8.1249; 28.8799; 90; 100.213; 90; |
COD ID: 1544783 | |
CIF file | Formula: - C28 H26 F2 N4 O6 S2 Zn - Comments: Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ 4(1) (2017) Space group: P 1 2/n 1 Cell volume: 1496.9 Cell parameters: 14.871; 4.9627; 20.315; 90; 93.183; 90; |
COD ID: 1545619 | |
CIF file | Formula: - C112 H72 Br8 N16 Ni3 O16 - Comments: He, Xiaohui; Deng, Yingjiao; Jiang, Xiong; Wang, Zijie; Yang, Yingping; Han, Zhilong; Chen, Defu Copolymerization of norbornene and butyl methacrylate at elevated temperatures by a single centre nickel catalyst bearing bulky bis(α-diimine) ligand with strong electron-withdrawing groups Polym. Chem. 8(15) (2017) 2390 Space group: P 1 2/n 1 Cell volume: 6782 Cell parameters: 19.3; 14.581; 24.167; 90; 94.227; 90; |
COD ID: 1545658 | |
CIF file | Formula: - C17 H30 N O5 - Comments: Garmendia, Sofiem; Mantione, Daniele; Alonso-de Castro, Silvia; Jehanno, Coralie; Lezama, Luis; Hedrick, James L.; Mecerreyes, David; Salassa, Luca; Sardon, Haritz Polyurethane based organic macromolecular contrast agents (PU-ORCAs) for magnetic resonance imaging Polym. Chem. 8(17) (2017) 2693 Space group: P 1 2/n 1 Cell volume: 1814 Cell parameters: 17.1821; 6.16924; 17.8483; 90; 106.502; 90; |
COD ID: 1545720 | |
CIF file | Formula: - C31 H24 O8 - Comments: Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii. Organic letters 19(8) (2017) 2142-2145 Space group: P 1 2/n 1 Cell volume: 2585.2 Cell parameters: 14.117; 8.1361; 22.5808; 90; 94.591; 90; |
COD ID: 1546382 | |
CIF file | Formula: - C12 H15 N6 O9 S3 Sm - Comments: N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; S.N. Vereshchagin; I.I. Golovneva Crystal structure and properties of polymeric hexaaqua-hexakis- (2-thiobarbiturato)-disamarium(III) Journal of Structural Chemistry 58(3) (2017) 539-543 Space group: P 1 2/n 1 Cell volume: 2037.9 Cell parameters: 14.0717; 10.0842; 15.323; 90; 110.408; 90; |
COD ID: 1547239 | |
CIF file | Formula: - C31 H18 Cl6 O4 S2 - Comments: Takase, Ko; Noguchi, Keiichi; Nakano, Koji Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives. Organic letters 19(19) (2017) 5082-5085 Space group: P 1 2/n 1 Cell volume: 3137.53 Cell parameters: 12.2019; 15.4584; 16.691; 90; 94.737; 90; |
COD ID: 1547368 | |
CIF file | Formula: - C32 H50 N4 O4.5 S2 - Comments: White, L. J.; Wells, N. J.; Blackholly, L. R.; Shepherd, H. J.; Wilson, B.; Bustone, G. P.; Runacres, T. J.; Hiscock, J. R. Towards quantifying the role of hydrogen bonding within amphiphile self-association and resultant aggregate formation Chem. Sci. (2017) Space group: P 1 2/n 1 Cell volume: 3319.4 Cell parameters: 12.706; 13.689; 19.969; 90; 107.12; 90; |
COD ID: 1547803 | |
CIF file | Formula: - C48 H64 Cl3 Eu F12 N8 O11 - Comments: Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J. Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging Chem. Sci. (2017) Space group: P 1 2/n 1 Cell volume: 2948.5 Cell parameters: 10.8737; 26.268; 11.667; 90; 117.775; 90; |
COD ID: 1548757 | |
CIF file | Formula: - C46 H58 Mg N4 Zn - Comments: Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science 9(8) (2018) 2348-2356 Space group: P 1 2/n 1 Cell volume: 2137.75 Cell parameters: 13.4443; 8.2978; 19.6313; 90; 102.544; 90; |
COD ID: 1548879 | |
CIF file | Formula: - C20 H36 B2 Co F8 N6 O2 - Comments: Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science 9(10) (2018) 2750-2755 Space group: P 1 2/n 1 Cell volume: 1306.27 Cell parameters: 8.3869; 7.9947; 19.4819; 90; 90.1405; 90; |
COD ID: 1549501 | |
CIF file | Formula: - C70 H95 Fe2 N17 O23 - Comments: Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science 9(26) (2018) 5773-5780 Space group: P 1 2/n 1 Cell volume: 3942.41 Cell parameters: 12.2471; 18.3327; 17.6262; 90; 95.002; 90; |
COD ID: 1549526 | |
CIF file | Formula: - C5 H7 Cl N5 O0.5 - Comments: Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ 5(4) (2018) Space group: P 1 2/n 1 Cell volume: 739.992 Cell parameters: 8.6936; 4.8189; 17.6971; 90; 93.526; 90; |
COD ID: 1549933 | |
CIF file | Formula: - C49 H50 N6 O Y - Comments: Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates Catalysis Science & Technology 8(21) (2018) 5573 Space group: P 1 2/n 1 Cell volume: 4511 Cell parameters: 22.637; 9.781; 23.089; 90; 118.062; 90; |
COD ID: 1550460 | |
CIF file | Formula: - C20 H21 N5 O - Comments: Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol IUCrData 4(1) (2019) x190036 Space group: P 1 2/n 1 Cell volume: 1832.69 Cell parameters: 12.241; 5.9386; 25.2112; 90; 90.317; 90; |
COD ID: 1551226 | |
CIF file | Formula: - C87 H118 Cl Co2 N22 O20 Ru3 - Comments: Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations. Dalton transactions (Cambridge, England : 2003) 48(41) (2019) 15455-15464 Space group: P 1 2/n 1 Cell volume: 5017.9 Cell parameters: 20.2057; 10.324; 25.4271; 90; 108.911; 90; |
COD ID: 1551228 | |
CIF file | Formula: - C87 H118 Cl Mn2 N22 O20 Ru3 - Comments: Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations. Dalton transactions (Cambridge, England : 2003) 48(41) (2019) 15455-15464 Space group: P 1 2/n 1 Cell volume: 5098.8 Cell parameters: 20.2861; 10.436; 25.5399; 90; 109.437; 90; |
COD ID: 1551365 | |
CIF file | Formula: - C390 H330 Cl20 Co10 N60 O76 - Comments: Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism Nature Chemistry 4 (2012) 751-756 Space group: P 1 2/n 1 Cell volume: 22885 Cell parameters: 21.469; 31.178; 34.437; 90; 96.87; 90; |
COD ID: 1551381 | |
CIF file | Formula: - C23 H25 N3 - Comments: Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging Chemical Science (2019) Space group: P 1 2/n 1 Cell volume: 1850.6 Cell parameters: 7.6842; 15.222; 15.865; 90; 94.247; 90; |
COD ID: 1551967 | |
CIF file | Formula: - C101 H198 As3 K N8 O10 Si6 U2 - Comments: Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry 7 (2015) 582-590 Space group: P 1 2/n 1 Cell volume: 5862.9 Cell parameters: 13.1907; 20.1898; 22.7981; 90; 105.065; 90; |
COD ID: 1553079 | |
CIF file | Formula: - C32 H46 Br2 Co N3 O4 - Comments: Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science 5(7) (2014) 2874-2878 Space group: P 1 2/n 1 Cell volume: 3289.4 Cell parameters: 18.491; 8.1781; 21.8017; 90; 93.873; 90; |
COD ID: 1553922 | |
CIF file | Formula: - C50 H29 B2 F20 N3 - Comments: Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N →B-ladder boranes with high electron affinity Organic Chemistry Frontiers 5(3) (2018) 336 Space group: P 1 2/n 1 Cell volume: 2382.85 Cell parameters: 13.3636; 12.765; 15.0491; 90; 111.844; 90; |
COD ID: 1555144 | |
CIF file | Formula: - C37 H30 N2 O3 S2 - Comments: Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones Organic Chemistry Frontiers 6(20) (2019) 3555 Space group: P 1 2/n 1 Cell volume: 3360.3 Cell parameters: 11.095; 12.561; 24.147; 90; 93.088; 90; |
COD ID: 1556354 | |
CIF file | Formula: - C64 H78 I K2 N4 Nd O16 - Comments: Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella Multielectron redox chemistry of lanthanide Schiff-base complexes Chemical Science 3(8) (2012) 2433 Space group: P 1 2/n 1 Cell volume: 3260 Cell parameters: 14.0578; 12.1559; 19.078; 90; 89.466; 90; |
COD ID: 1556424 | |
CIF file | Formula: - C40 H36 Cl2 Cu N8 O11 - Comments: Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L. Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers Inorganics 7 (2019) 103 Space group: P 1 2/n 1 Cell volume: 2083.84 Cell parameters: 12.9264; 11.1702; 15.0564; 90; 106.559; 90; |
COD ID: 1556513 | |
CIF file | Formula: - C47.5 H50 Mg0.5 N3 - Comments: Vindus, D.; Niemeyer, M. Hetero- and Homoleptic Magnesium Triazenides Inorganics 5 (2017) 33 Space group: P 1 2/n 1 Cell volume: 3957.8 Cell parameters: 15.0589; 13.0937; 20.3232; 90; 99.013; 90; |
COD ID: 1556759 | |
CIF file | Formula: - Ni Se5 Ta2 - Comments: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ 5(Pt 2) (2018) 158-165 Space group: P 1 2/n 1 Cell volume: 311.8 Cell parameters: 3.437; 5.849; 15.512; 90; 90.53; 90; |
COD ID: 1557387 | |
CIF file | Formula: - C28 H20 N2 O6 Zn - Comments: Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ 7(2) (2020) 324-330 Space group: P 1 2/n 1 Cell volume: 1545.38 Cell parameters: 14.2399; 7.5126; 14.7479; 90; 101.619; 90; |
COD ID: 1558285 | |
CIF file | Formula: - C46 H40 N2 O6 - Comments: Hu, Xiaofan; Mu, Hongliang; Miao, Jie; Lu, Yao; Wang, Xianwei; Meng, Xiangsheng; Wang, Zhen; Yan, Jingling Synthesis and gas separation performance of intrinsically microporous polyimides derived from sterically hindered binaphthalenetetracarboxylic dianhydride Polymer Chemistry 11(25) (2020) 4172-4179 Space group: P 1 2/n 1 Cell volume: 2381.8 Cell parameters: 12.5498; 9.3561; 20.332; 90; 93.893; 90; |
COD ID: 1558629 | |
CIF file | Formula: - C54 H95 N O4 - Comments: Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W. The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts Chemical Science (2020) Space group: P 1 2/n 1 Cell volume: 2561 Cell parameters: 9.5968; 4.6441; 57.52; 90; 92.59; 90; |
COD ID: 1559065 | |
CIF file | Formula: - C64 H58 B3 Cl4 F13 S2 Sb2 - Comments: Park, Gyeongjin; Gabbaï, François P. Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport Chemical Science (2020) Space group: P 1 2/n 1 Cell volume: 3150.2 Cell parameters: 15.494; 10.9891; 19.761; 90; 110.566; 90; |
COD ID: 1559588 | |
CIF file | Formula: - C22 H13 Au2 Fe N7 O2 - Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326 Space group: P 1 2/n 1 Cell volume: 1254.43 Cell parameters: 10.4618; 11.5106; 10.467; 90; 95.605; 90; |
COD ID: 1559590 | |
CIF file | Formula: - C22 H13 Au2 Fe N7 O2 - Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326 Space group: P 1 2/n 1 Cell volume: 1179.51 Cell parameters: 10.2342; 11.269; 10.2384; 90; 92.665; 90; |
COD ID: 1559591 | |
CIF file | Formula: - C22 H13 Au2 Fe N7 O2 - Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326 Space group: P 1 2/n 1 Cell volume: 1137.9 Cell parameters: 10.1143; 11.1281; 10.1146; 90; 91.745; 90; |
COD ID: 1559592 | |
CIF file | Formula: - C22 H13 Au2 Fe N7 O2 - Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326 Space group: P 1 2/n 1 Cell volume: 1219.37 Cell parameters: 10.3534; 11.3911; 10.3639; 90; 93.954; 90; |
COD ID: 1559594 | |
CIF file | Formula: - C22 H13 Au2 Fe N7 O2 - Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326 Space group: P 1 2/n 1 Cell volume: 1139.34 Cell parameters: 10.115; 11.1318; 10.1239; 90; 91.852; 90; |
COD ID: 1559595 | |
CIF file | Formula: - C22 H13 Au2 Fe N7 O2 - Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326 Space group: P 1 2/n 1 Cell volume: 1258.71 Cell parameters: 10.4523; 11.4885; 10.5004; 90; 93.379; 90; |
COD ID: 1559610 | |
CIF file | Formula: - C66 H132 Ce2 Co2 D8 N6 O3 Si12 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 2/n 1 Cell volume: 5072.7 Cell parameters: 11.7272; 20.2947; 21.6422; 90; 99.99; 90; |
COD ID: 1559825 | |
CIF file | Formula: - C56 H64 F24 N8 P4 - Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171 Space group: P 1 2/n 1 Cell volume: 3136.7 Cell parameters: 17.127; 8.8196; 21.3425; 90; 103.355; 90; |
COD ID: 1560106 | |
CIF file | Formula: - C7 Bi N7 Ni S6 - Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525 Space group: P 1 2/n 1 Cell volume: 11036.9 Cell parameters: 12.216; 36.8375; 24.5263; 90; 90.224; 90; |
COD ID: 1560448 | |
CIF file | Formula: - C11 H16 Cu4 I4 N4 O0 - Comments: Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property Journal of Solid State Chemistry 251 (2017) 176-185 Space group: P 1 2/n 1 Cell volume: 996 Cell parameters: 12.75; 4.3315; 18.209; 90; 97.92; 90; |
COD ID: 1560543 | |
CIF file | Formula: - C25 H23 Co N4 O4 - Comments: Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan Four coordination polymers based on 5- tert -butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties Journal of Solid State Chemistry 249 (2017) 141-148 Space group: P 1 2/n 1 Cell volume: 1326.5 Cell parameters: 10.1585; 9.4462; 14.0641; 90; 100.612; 90; |
COD ID: 1560632 | |
CIF file | Formula: - C30 H38 Cu N10 O5 - Comments: Liu, Yaru; Xing, Zhiyan; Zhang, Xiao; Liang, Guorui Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property Journal of Solid State Chemistry 246 (2017) 48-56 Space group: P 1 2/n 1 Cell volume: 1590.79 Cell parameters: 9.49312; 12.55069; 13.415; 90; 95.5687; 90; |
COD ID: 1560726 | |
CIF file | Formula: - C6 H14 Cl N2 Na O6 - Comments: Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor Chemical Science 12(15) (2021) 5574-5581 Space group: P 1 2/n 1 Cell volume: 1169.8 Cell parameters: 9.1493; 10.1833; 13.22; 90; 108.244; 90; |
COD ID: 1561263 | |
CIF file | Formula: - C36 H34 N6 O13 Zn2 - Comments: Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties Journal of Solid State Chemistry 258 (2018) 588-601 Space group: P 1 2/n 1 Cell volume: 1783 Cell parameters: 8.8485; 11.661; 17.702; 90; 102.533; 90; |
COD ID: 1561456 | |
CIF file | Formula: - C104 H76 N12 O22 Zn4 - Comments: Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming; Xu, Bing; Wang, Xiaofang; Xue, Ganglin Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand Journal of Solid State Chemistry 239 (2016) 121-130 Space group: P 1 2/n 1 Cell volume: 4676 Cell parameters: 14.585; 12.639; 26.214; 90; 104.592; 90; |
COD ID: 1561736 | |
CIF file | Formula: - C20 H14 Mn N2 O6 - Comments: Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand Journal of Solid State Chemistry 231 (2015) 239-247 Space group: P 1 2/n 1 Cell volume: 1772.1 Cell parameters: 8.5807; 12.1887; 17.2541; 90; 100.885; 90; |
COD ID: 1561737 | |
CIF file | Formula: - C20 H14 Cd N2 O6 - Comments: Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand Journal of Solid State Chemistry 231 (2015) 239-247 Space group: P 1 2/n 1 Cell volume: 1808.73 Cell parameters: 8.7807; 12.3539; 16.9414; 90; 100.192; 90; |
COD ID: 1561738 | |
CIF file | Formula: - C20 H14 Co N2 O6 - Comments: Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand Journal of Solid State Chemistry 231 (2015) 239-247 Space group: P 1 2/n 1 Cell volume: 1733.3 Cell parameters: 8.6613; 12.1142; 16.8936; 90; 102.081; 90; |
COD ID: 1561975 | |
CIF file | Formula: - C22 H26 Co N4 O9 - Comments: Ye, Jing; Gou, Yongxia; Xu, Zhen-Liang; Xu, Haitao Selectively catalytic micro- and nanocrystals of metal‒organic framework [Co(4-bpdh)(HIA)]∝ Journal of Solid State Chemistry 226 (2015) 142-146 Space group: P 1 2/n 1 Cell volume: 2870.9 Cell parameters: 10.0009; 15.472; 18.563; 90; 91.811; 90; |
COD ID: 1562395 | |
CIF file | Formula: - C54 H50 O4 - Comments: Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids Chemical Science (2021) Space group: P 1 2/n 1 Cell volume: 2107.9 Cell parameters: 11.1578; 11.0555; 17.2821; 90; 98.594; 90; |
COD ID: 1562494 | |
CIF file | Formula: - C20 H15 N3 O6 Zn - Comments: Arıcı, Mürsel; Yeşilel, Okan Zafer; Keskin, Seda; Şahin, Onur Gas adsorption/separation properties of metal directed self-assembly of two coordination polymers with 5-nitroisophthalate Journal of Solid State Chemistry 210(1) (2014) 280-286 Space group: P 1 2/n 1 Cell volume: 2179.24 Cell parameters: 15.0626; 9.0935; 15.9264; 90; 92.588; 90; |
COD ID: 1563721 | |
CIF file | Formula: - C17 H24 Co N2 O7 - Comments: Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L. Alkyl group dependence on structure and magnetic properties in layered cobalt coordination polymers containing substituted glutarate ligands and 4,4′-bipyridine Journal of Solid State Chemistry 183(2) (2010) 291-303 Space group: P 1 2/n 1 Cell volume: 1854.2 Cell parameters: 10.1354; 11.4156; 16.4322; 90; 102.774; 90; |
COD ID: 1564084 | |
CIF file | Formula: - C10 H10 Cl N4 O4 Zn - Comments: Annan, Neveen A.; Butler, Ian S.; Osman, Yehia A.; Hussein, Mervat H.; Jean-Claude, Bertrand J.; Saad, Eman M.; Mostafa, Sahar I. Complexes based N,N-donors (2,2′-bipyridyl & 2-(2-aminophenyl)benzimidazole); Synthesis, characterization, DNA interaction and toxicity assessment against Chlorella vulgaris microchlorophyte; X-ray crystal structure of [Zn(bpy)3)]Cl2 Inorganica Chimica Acta 512 (2020) 119885 Space group: P 1 2/n 1 Cell volume: 6896.8 Cell parameters: 23.654; 22.295; 13.6451; 90; 73.421; 90; |
COD ID: 1564369 | |
CIF file | Formula: - C12 H12 B2 N2 O2 - Comments: Li, Xiaopei; Wang, Dongdong; Zhang, Yongjie; Lu, Wenqi; Yang, Songqiu; Hou, Guangjin; Zhao, Zhenchao; Qin, Haijuan; Zhang, Yahui; Li, Minmin; Qing, Guangyan A novel aggregation‒induced enhanced emission aromatic molecule: 2-aminophenylboronic acid dimer Chemical Science (2021) Space group: P 1 2/n 1 Cell volume: 1125.29 Cell parameters: 15.0331; 5.0718; 15.8131; 90; 111.04; 90; |
COD ID: 1564397 | |
CIF file | Formula: - C36 H24 Br2 - Comments: Song, Shaotang; Wang, Lulu; Su, Jie; Xu, Zhen; Hsu, Chia-Hsiu; Hua, Chenqiang; Lyu, Pin; Li, Jing; Peng, Xinnan; Kojima, Takahiro; Nobusue, Shunpei; Telychko, Mykola; Zheng, Yi; Chuang, Feng-Chuan; Sakaguchi, Hiroshi; Wong, Ming Wah; Lu, Jiong Manifold dynamic non-covalent interactions for steering molecular assembly and cyclization Chemical Science (2021) Space group: P 1 2/n 1 Cell volume: 2651.9 Cell parameters: 18.1145; 6.8754; 23.099; 90; 112.806; 90; |
COD ID: 1565612 | |
CIF file | Formula: - C32 H40 F2 N6 O10 Zn - Comments: Huang, Yan-Ju; Zhang, Jun Synthesis and characterization a series of Norfloxacin-transition metal complexes Inorganica Chimica Acta 501 (2020) 119244 Space group: P 1 2/n 1 Cell volume: 1712.8 Cell parameters: 10.8253; 11.5326; 13.81; 90; 96.568; 90; |
COD ID: 1566928 | |
CIF file | Formula: - C96 H104 K8 O24 S8 - Comments: Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M. Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures Chemical Science (2022) Space group: P 1 2/n 1 Cell volume: 2970.4 Cell parameters: 15.1783; 6.6961; 30.176; 90; 104.412; 90; |
COD ID: 1566941 | |
CIF file | Formula: - C74 H128 O3 Tm2 - Comments: Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science (2022) Space group: P 1 2/n 1 Cell volume: 3535.7 Cell parameters: 18.6229; 10.3489; 19.6817; 90; 111.234; 90; |
COD ID: 1567065 | |
CIF file | Formula: - C70 H92 O13 - Comments: Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals Chemical Science (2022) Space group: P 1 2/n 1 Cell volume: 3758.2 Cell parameters: 12.5731; 22.6648; 14.4358; 90; 113.995; 90; |
COD ID: 1567536 | |
CIF file | Formula: - C36 H36 N4 O2 Zn - Comments: D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters Catalysis Science & Technology 12(20) (2022) 6142-6154 Space group: P 1 2/n 1 Cell volume: 1635.1 Cell parameters: 9.911; 6.0729; 27.229; 90; 93.877; 90; |
COD ID: 1567660 | |
CIF file | Formula: - C16 H18 N2 Se4 - Comments: Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science 13(39) (2022) 11551-11559 Space group: P 1 2/n 1 Cell volume: 3660.67 Cell parameters: 15.5783; 7.9499; 29.5587; 90; 90.3204; 90; |
COD ID: 1567662 | |
CIF file | Formula: - C16 H18 N2 S4 - Comments: Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science 13(39) (2022) 11551-11559 Space group: P 1 2/n 1 Cell volume: 3442.03 Cell parameters: 15.105; 7.8801; 28.9196; 90; 90.6804; 90; |
COD ID: 1567672 | |
CIF file | Formula: - C74 H80 Cl2 N4 Pd2 - Comments: Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands Catalysis Science & Technology 12(21) (2022) 6581-6589 Space group: P 1 2/n 1 Cell volume: 6980 Cell parameters: 22.26; 14.479; 22.541; 90; 106.1; 90; |
COD ID: 1567789 | |
CIF file | Formula: - C14 H15 F6 Mn N3 O7 S2 - Comments: Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins Catalysis Science & Technology 12(24) (2022) 7341-7348 Space group: P 1 2/n 1 Cell volume: 1050.42 Cell parameters: 8.9946; 9.9209; 12.2244; 90; 105.646; 90; |
COD ID: 1567866 | |
CIF file | Formula: - F6 Sn Zr - Comments: Gerasimenko, A. V.; Merkulov, E. B.; Tkachenko, I. A.; Kavun, V. Ya.; Goncharuk, V. K.; Sergienko, V. I. Synthesis and Structure of Tin(II) Hexafluorozirconate Russian Journal of Coordination Chemistry 28(12) (2002) 839-842 Space group: P 1 2/n 1 Cell volume: 221.35 Cell parameters: 6.6119; 5.2503; 6.9929; 90; 114.239; 90; |
COD ID: 1568617 | |
CIF file | Formula: - C4 H24 Cl7 Mo N4 - Comments: Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties. Chemical science 14(15) (2023) 3982-3989 Space group: P 1 2/n 1 Cell volume: 1850.17 Cell parameters: 16.0647; 7.3477; 16.1264; 90; 103.599; 90; |
COD ID: 1568921 | |
CIF file | Formula: - C32 H31 K O14 - Comments: Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ 10(3) (2023) Space group: P 1 2/n 1 Cell volume: 1487.38 Cell parameters: 11.2185; 10.2204; 13.5244; 90; 106.427; 90; |
COD ID: 1568925 | |
CIF file | Formula: - C16 H13.5 Na0.5 O6 - Comments: Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ 10(3) (2023) Space group: P 1 2/n 1 Cell volume: 1373.79 Cell parameters: 10.7741; 9.6357; 13.8452; 90; 107.103; 90; |
COD ID: 1569354 | |
CIF file | Formula: - C104 H110 F6 N8 O2 S4 - Comments: Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance Energy & Environmental Science 16(8) (2023) 3543-3551 Space group: P 1 2/n 1 Cell volume: 9721.6 Cell parameters: 24.3943; 14.1219; 29.0635; 90; 103.837; 90; |
COD ID: 1569356 | |
CIF file | Formula: - P21 - Comments: Wang, Yanhao; Jin, Mengting; Gu, Mengyue; Zhao, Xuewen; Xie, Jinan; Meng, Guodong; Cheng, Yonghong; He, Jinjiang; Zhang, Jinying Synthesis of violet phosphorus with large lateral sizes to facilitate nano-device fabrications. Nanoscale 15(29) (2023) 12406-12412 Space group: P 1 2/n 1 Cell volume: 1821.97 Cell parameters: 9.1997; 9.1235; 21.9062; 90; 97.727; 90; |
COD ID: 1569417 | |
CIF file | Formula: - C50.67 H46.7 I6 N12 O1.42 Zn3 - Comments: Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ 10(4) (2023) 497-508 Space group: P 1 2/n 1 Cell volume: 15910 Cell parameters: 31.5077; 14.9991; 34.4289; 90; 102.086; 90; |
COD ID: 1569606 | |
CIF file | Formula: - C67 H56 Cu F6 N2 O3 P3 - Comments: Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes Catalysis Science & Technology 13(14) (2023) 4092-4106 Space group: P 1 2/n 1 Cell volume: 6264.79 Cell parameters: 12.8402; 19.2826; 25.7915; 90; 101.171; 90; |
COD ID: 1569990 | |
CIF file | Formula: - C84 H64 N4 O12 S4 - Comments: Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ 10(6) (2023) Space group: P 1 2/n 1 Cell volume: 3542.4 Cell parameters: 17.1862; 12.2494; 18.3174; 90; 113.273; 90; |
COD ID: 1570072 | |
CIF file | Formula: - C30 H18 F2 N2 O4 Zn - Comments: Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer. Chemical science 14(43) (2023) 12321-12330 Space group: P 1 2/n 1 Cell volume: 2446.3 Cell parameters: 14.98; 9.8498; 16.639; 90; 94.86; 90; |
COD ID: 1570337 | |
CIF file | Formula: - C12 H9 B F2 - Comments: Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science 14(48) (2023) 14256-14261 Space group: P 1 2/n 1 Cell volume: 965.37 Cell parameters: 8.6301; 8.5219; 13.3072; 90; 99.458; 90; |
COD ID: 1570721 | |
CIF file | Formula: - C35 H38.5 B10 N11.5 O8.12 Pb2 - Comments: Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T. Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group. Molecules (Basel, Switzerland) 28(24) (2023) 8073 Space group: P 1 2/n 1 Cell volume: 4951.8 Cell parameters: 16.8622; 17.0582; 18.224; 90; 109.153; 90; |
COD ID: 1571080 | |
CIF file | Formula: - C300 H380 F4 N16 O8 P8 S4 - Comments: Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu Sequential radical and cationic reactivity at separated sites within one molecule in solution. Chemical science 15(14) (2024) 5376-5384 Space group: P 1 2/n 1 Cell volume: 13821.6 Cell parameters: 26.0037; 13.0979; 40.762; 90; 95.402; 90; |
COD ID: 1571151 | |
CIF file | Formula: - C66.83 H62.68 Cl2.49 N8 O6 - Comments: Yeung, Angus; Zwijnenburg, Martijn A.; Orton, Georgia R. F.; Robertson, Jennifer H.; Barendt, Timothy A. Investigating the diastereoselective synthesis of a macrocycle under Curtin-Hammett control. Chemical science 15(15) (2024) 5516-5524 Space group: P 1 2/n 1 Cell volume: 7243.37 Cell parameters: 14.3914; 14.9401; 33.6959; 90; 91.185; 90; |
COD ID: 1571183 | |
CIF file | Formula: - C50 H37 Fe O12 S32 - Comments: Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate CrystEngComm 26(14) (2024) 1962-1975 Space group: P 1 2/n 1 Cell volume: 14634.6 Cell parameters: 24.9368; 19.4844; 31.8267; 90; 108.849; 90; |
COD ID: 2000359 | |
CIF file | Formula: - C15 H20 O2 - Comments: Lloyd, B. A.; Arif, A. M.; Allred, E. L. Pyramidalization in a tetracyclic perpendicular diene derivative Acta Crystallographica Section C 48(12) (1992) 2147-2151 Space group: P 1 2/n 1 Cell volume: 2445.8 Cell parameters: 19.362; 6.703; 20.011; 90; 109.656; 90; |
COD ID: 2001285 | |
CIF file | Formula: - C26 H30 Cl N6 O3 V - Comments: Neves, A.; Hörner, M.; Fenner, H.; Strähle, J. Structure of dioxo[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]vanadium(V) chloride monohydrate, [VO~2~(tpen)]Cl.H~2~O Acta Crystallographica Section C 49(10) (1993) 1737-1739 Space group: P 1 2/n 1 Cell volume: 1303.5 Cell parameters: 13.01; 7.687; 13.412; 90; 103.63; 90; |
COD ID: 2001345 | |
CIF file | Formula: - C2 F4 O4 P4 S4 - Comments: Jones, P. G.; Weinkauf, A. 9,9,10,10-Tetrafluoro-1,3,5,7-tetrathio-2,4,6,8-tetraaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.1^3,7^]decane, P~4~O~4~(CF~2~)~2~S~4~: a cage structure related to P~4~O~6~ Acta Crystallographica Section C 49(10) (1993) 1810-1811 Space group: P 1 2/n 1 Cell volume: 663.2 Cell parameters: 8.283; 6.428; 12.707; 90; 101.39; 90; |
COD ID: 2001771 | |
CIF file | Formula: - C2 H4 Na O6 P - Comments: Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C 49(4) (1993) 696-705 Space group: P 1 2/n 1 Cell volume: 586.4 Cell parameters: 9.782; 5.366; 11.175; 90; 91.39; 90; |
COD ID: 2002527 | |
CIF file | Formula: - Cu Ho O8 W2 - Comments: Mueller-Buschbaum, Hk; Krueger, T Ein Beitrag zur Kristallstruktur von Cu Y W2 O8, Cu Ho W2 O8 und Cu Yb W2 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 607 (1992) 52-56 Space group: P 1 2/n 1 Cell volume: 292.1 Cell parameters: 10.045; 5.808; 5.021; 90; 94.38; 90; |
COD ID: 2002528 | |
CIF file | Formula: - Cu O8 W2 Yb - Comments: Mueller-Buschbaum, Hk; Krueger, T Ein Beitrag zur Kristallstruktur von Cu Y W2 O8, Cu Ho W2 O8 und Cu Yb W2 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 607 (1992) 52-56 Space group: P 1 2/n 1 Cell volume: 289.7 Cell parameters: 9.948; 5.824; 5.008; 90; 93.36; 90; |
COD ID: 2002631 | |
CIF file | Formula: - Cu O8 Tm W2 - Comments: Müller-Buschbaum, Hk.; Gressling, T. Ein Beitrag zur Kristallstruktur von β-CuTmW~2~O~8~ und β-CuLuW~2~O~8~ Journal of Alloys and Compounds 201(1-2) (1993) 267-270 Space group: P 1 2/n 1 Cell volume: 290.6 Cell parameters: 9.9789; 5.8212; 5.0126; 90; 93.625; 90; |
COD ID: 2002632 | |
CIF file | Formula: - Cu Lu O8 W2 - Comments: Müller-Buschbaum, Hk.; Gressling, T. Ein Beitrag zur Kristallstruktur von β-CuTmW~2~O~8~ und β-CuLuW~2~O~8~ Journal of Alloys and Compounds 201(1-2) (1993) 267-270 Space group: P 1 2/n 1 Cell volume: 288.5 Cell parameters: 9.9095; 5.8214; 5.0075; 90; 92.955; 90; |
COD ID: 2002699 | |
CIF file | Formula: - Cu O8 W2 Y - Comments: Müller-Buschbaum, Hk.; Szillat, H. Zur Kristallchemie der Kupfer-Lanthanoid-Oxowolframate: (I) triklin-α-CuTbW~2~O~8~, (II) monoklin-CuInW~2~O~8~ und (III) monoklin-CuYW~2~O~8~ Zeitschrift für Anorganische und Allgemeine Chemie 620(4) (1994) 642-646 Space group: P 1 2/n 1 Cell volume: 293 Cell parameters: 10.0504; 5.8214; 5.0224; 90; 94.23; 90; |
COD ID: 2004252 | |
CIF file | Formula: - C72 H84 Li2 O9 Sn3 - Comments: Smith, G. D.; Fanwick, P. E.; Rothwell, I. P. A Trigonal Prismatic Cluster Compound of Tin and Lithium: Structure of [{Sn(OCMe~2~C~6~H~4~)~2~}~3~Li~2~O].2HOCMe~2~Ph Acta Crystallographica Section C 51(12) (1995) 2501-2503 Space group: P 1 2/n 1 Cell volume: 3362.7 Cell parameters: 11.13; 13.157; 23.077; 90; 95.68; 90; |
COD ID: 2004400 | |
CIF file | Formula: - C30 H24 Br2 - Comments: Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene Acta Crystallographica Section C 52(1) (1996) 118-122 Space group: P 1 2/n 1 Cell volume: 2472 Cell parameters: 14.643; 8.889; 19.682; 90; 105.22; 90; |
COD ID: 2004498 | |
CIF file | Formula: - C24 H20 I3 P - Comments: Parvez, M.; Wang, M.; Boorman, P. M. Tetraphenylphosphonium Triiodide Acta Crystallographica Section C 52(2) (1996) 377-378 Space group: P 1 2/n 1 Cell volume: 1222.6 Cell parameters: 10.332; 7.69; 15.406; 90; 92.77; 90; |
COD ID: 2004622 | |
CIF file | Formula: - C24 H54 Cd2 N8 O23 - Comments: Wu, D.-D.; Mak, T. C. W. Polymeric Cadmium(II) Nitrate Adduct of a Flexible Double Betaine: [Cd~2~(<i>L</i>)~2~(NO~3~)~2~(H~2~O)~3~]~<i>n~</i>(NO~3~)~2<i>n~</i> [<i>L</i> = <i>meso</i>-2,5-Bis(trimethylammonio)adipate] Acta Crystallographica Section C 52(3) (1996) 529-532 Space group: P 1 2/n 1 Cell volume: 1968.5 Cell parameters: 15.298; 6.097; 22.037; 90; 106.72; 90; |
COD ID: 2005157 | |
CIF file | Formula: - C15 H25 N3 O2 - Comments: Saviano, M.; Lombardi, A.; Pavone, V.; Yamada, T.; Yanagi, T.; Iwamoto, A.; Kuwata, S. A Racemic Bicyclic Acylamidine from a Tripeptide Derivative Acta Crystallographica Section C 52(7) (1996) 1705-1708 Space group: P 1 2/n 1 Cell volume: 1582.1 Cell parameters: 12.533; 7.6536; 16.804; 90; 101.03; 90; |
COD ID: 2005628 | |
CIF file | Formula: - C20 H34 O2 Rh2 - Comments: Ramm, M.; Selent, D. Bis[(1,2,5,6-η)-1,5-cyclooctadiene]-di-μ-ethoxo-dirhodium(I) Acta Crystallographica Section C 52(11) (1996) 2703-2705 Space group: P 1 2/n 1 Cell volume: 975.4 Cell parameters: 12.474; 6.3201; 12.418; 90; 94.93; 90; |
COD ID: 2007176 | |
CIF file | Formula: - C11 H12 Br2 F4 N2 Os - Comments: Höhling, Matthias; Preetz, Wilhelm Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~] Acta Crystallographica Section C 54(4) (1998) 481-483 Space group: P 1 2/n 1 Cell volume: 1423.2 Cell parameters: 7.08; 6.8203; 29.473; 90; 90.32; 90; |
COD ID: 2007857 | |
CIF file | Formula: - C4 H24 Cl7 In N4 - Comments: Rothammel, Walter; Spengler, Roland; Burzlaff, Hans; Jarraya, S.; Ben Salah, Abdelhamid Redetermination of Tetrakis(methylammonium) Hexachloroindate Chloride Acta Crystallographica Section C 54(11) (1998) IUC9800059 Space group: P 1 2/n 1 Cell volume: 1893.4 Cell parameters: 16.232; 7.449; 16.125; 90; 103.8; 90; |
COD ID: 2008111 | |
CIF file | Formula: - C9 H6 Fe O4 - Comments: Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K Acta Crystallographica Section C 55(1) (1999) IUC9800082 Space group: P 1 2/n 1 Cell volume: 937.7 Cell parameters: 12.2502; 6.5155; 12.415; 90; 108.866; 90; |
COD ID: 2008489 | |
CIF file | Formula: - C15 H16 N4 Ni O3 - Comments: Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio [1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue Acta Crystallographica Section C 55(5) (1999) 719-722 Space group: P 1 2/n 1 Cell volume: 728.8 Cell parameters: 7.183; 9.307; 11.326; 90; 105.73; 90; |
COD ID: 2009493 | |
CIF file | Formula: - C16 H24 Cu I6 N8 - Comments: Tebbe, Karl-Friedrich; Nafepour, Shida Tetra(<i>N</i>-methylimidazol)-kupfer(II)-bis(triiodid) [Cu(C~4~H~6~N~2~)~4~](I~3~)~2~ Acta Crystallographica Section C 50(2) (1994) 171-173 Space group: P 1 2/n 1 Cell volume: 1542.3 Cell parameters: 8.116; 11.246; 17.243; 90; 101.49; 90; |
COD ID: 2010083 | |
CIF file | Formula: - C11 H12 Cl2 F4 N2 Os - Comments: Bruhn, Clemens; Preetz, Wilhelm Dipyridiniomethane <i>cis</i>-dichlorotetrafluoroosmate(IV) Acta Crystallographica Section C 50(10) (1994) 1555-1557 Space group: P 1 2/n 1 Cell volume: 1367.07 Cell parameters: 6.9689; 6.7658; 28.994; 90; 90.172; 90; |
COD ID: 2010130 | |
CIF file | Formula: - C14 H21 N4 O10.5 - Comments: Frydenvang, Karla; Trickey, Peter; Jensen, Birthe Ethoxycarbonylcholine picrate hemihydrate Acta Crystallographica Section C 50(11) (1994) 1839-1841 Space group: P 1 2/n 1 Cell volume: 1785.1 Cell parameters: 11.623; 7.432; 21.197; 90; 102.86; 90; |
COD ID: 2010142 | |
CIF file | Formula: - C26 H21 O P - Comments: Kalyanasundari, M.; Panchanatheswaran, K.; Parthasarathi, V.; Robinson, W.T.; Wen, H. Benzoylmethylenetriphenylphosphorane, C~26~H~21~OP Acta Crystallographica Section C 50(11) (1994) 1738-1741 Space group: P 1 2/n 1 Cell volume: 3927 Cell parameters: 18.978; 10.921; 19.62; 90; 105.02; 90; |
COD ID: 2010393 | |
CIF file | Formula: - C56 H60 Mo O P4 - Comments: Pombeiro, A.J.L.; Hills, A.; Hughes, D.L.; Richards, R.L. [MoH~4~(dppe)~2~].thf (dppe = Ph~2~PCH~2~CH~2~PPh~2~; thf = Tetrahydrofuran) Acta Crystallographica Section C 51(1) (1995) 23-26 Space group: P 1 2/n 1 Cell volume: 2483.6 Cell parameters: 15.743; 10.3; 15.83; 90; 104.638; 90; |
COD ID: 2011270 | |
CIF file | Formula: - C8 H18 N2 O9 - Comments: Barnes, John C.; Weakley, Timothy J. R. Hydrogen bonding in ethylenediammonium bis(hydrogen malonate) monohydrate Acta Crystallographica Section C 56(8) (2000) e346-e347 Space group: P 1 2/n 1 Cell volume: 641.08 Cell parameters: 8.0276; 8.7013; 9.543; 90; 105.901; 90; |
COD ID: 2012013 | |
CIF file | Formula: - C6 H8 O5 - Comments: Jene, Paul G.; Pernin, Christopher G.; Ibers, James A. Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate Acta Crystallographica Section C 57(6) (2001) 730-734 Space group: P 1 2/n 1 Cell volume: 649 Cell parameters: 13.487; 3.647; 13.506; 90; 102.33; 90; |
COD ID: 2012083 | |
CIF file | Formula: - C4 H10 Co K N2 O7 - Comments: Belai, Nebebech; Dickman, Michael H.; Pope, Michael T. Potassium bis(carbonato-<i>O</i>,<i>O</i>')(ethylenediamine-<i>N</i>,<i>N</i>')cobaltate(III) monohydrate at 173K Acta Crystallographica Section C 57(7) (2001) 802-803 Space group: P 1 2/n 1 Cell volume: 490.56 Cell parameters: 8.2527; 7.3864; 8.5085; 90; 108.947; 90; |
COD ID: 2012135 | |
CIF file | Formula: - C17 H19 Cl3 F2 N2 O4 S2 - Comments: Ardeshir, Khazaei; Banks, R. Eric; Besheesh, Mohammed K.; Brisdon, Alan K.; Pritchard, Robin G. 1,2-Bis(<i>N</i>-fluoro-<i>p</i>-toluenesulfonamido)ethane chloroform solvate Acta Crystallographica Section C 57(8) (2001) 970-972 Space group: P 1 2/n 1 Cell volume: 2270.4 Cell parameters: 10.9948; 9.6922; 21.381; 90; 94.815; 90; |
COD ID: 2012900 | |
CIF file | Formula: - C11 H25 N3 O8.5 P - Comments: Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J. Self-assembled hydrogen-bonded bilayers in 1,4-diazabicyclo[2.2.2]octane‒<i>N</i>-(phosphonomethyl)iminodiacetic acid‒water (1/1/1.5) Acta Crystallographica Section C 58(8) (2002) o467-o469 Space group: P 1 2/n 1 Cell volume: 1632.15 Cell parameters: 14.1042; 7.056; 16.4004; 90; 90.113; 90; |
COD ID: 2012937 | |
CIF file | Formula: - C50.034 H38.603 Br2 Cl2.688 N4.569 O4 Pt - Comments: Tate, John R.; Kantardjieff, Katherine; Crundwell, Guy; Mink, Larry M. Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]platinum(IV) chloroform acetonitrile solvate Acta Crystallographica Section C 58(9) (2002) m485-m486 Space group: P 1 2/n 1 Cell volume: 2576.9 Cell parameters: 14.8727; 9.4421; 18.5973; 90; 99.348; 90; |
COD ID: 2013725 | |
CIF file | Formula: - C2 H8 N2 O6 S3 - Comments: Taraba, Jan; Žák, Zdirad The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone Acta Crystallographica Section C 60(1) (2004) o79-o81 Space group: P 1 2/n 1 Cell volume: 920.6 Cell parameters: 10.107; 9.715; 10.62; 90; 118.01; 90; |
COD ID: 2013803 | |
CIF file | Formula: - C14 H7 N3 O6 - Comments: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions Acta Crystallographica Section C 60(1) (2004) o24-o27 Space group: P 1 2/n 1 Cell volume: 653.84 Cell parameters: 5.0936; 12.6297; 10.366; 90; 101.335; 90; |
COD ID: 2014139 | |
CIF file | Formula: - C40 H30 La2 N4 O18 S2 - Comments: Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate] Acta Crystallographica Section C 60(9) (2004) m460-m464 Space group: P 1 2/n 1 Cell volume: 2031.96 Cell parameters: 10.1655; 15.156; 13.8914; 90; 108.302; 90; |
COD ID: 2014157 | |
CIF file | Formula: - C20 H14 N2 O6 Zn - Comments: Cao, Xin-Yi; Zhang, Jian; Kang, Yao; Cheng, Jian-Kai; Li, Zhao-Ji; Wang, Xiao-Qin; Wen, Yi-Hang; Yao, Yuan-Gen Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''] monohydrate] Acta Crystallographica Section C 60(7) (2004) m350-m352 Space group: P 1 2/n 1 Cell volume: 1770.24 Cell parameters: 8.764; 12.109; 17.044; 90; 101.846; 90; |
COD ID: 2015590 | |
CIF file | Formula: - Ba2 N15 Rb - Comments: Vajenine, Grigori V. RbBa~2~(N~3~)~5~: a new ternary azide Acta Crystallographica Section C 62(10) (2006) i85-i87 Space group: P 1 2/n 1 Cell volume: 572.45 Cell parameters: 8.6681; 5.6287; 11.733; 90; 90.199; 90; |
COD ID: 2016609 | |
CIF file | Formula: - C10 H15 N3 O2 - Comments: Walczak, Christopher P.; Yonkey, Matthew M.; Squattrito, Philip J.; Mohanty, Dillip K.; Kirschbaum, Kristin 1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole Acta Crystallographica Section C 64(5) (2008) o248-o251 Space group: P 1 2/n 1 Cell volume: 523.61 Cell parameters: 5.0425; 9.2564; 11.4901; 90; 102.492; 90; |
COD ID: 2017366 | |
CIF file | Formula: - C40 H64 O12 - Comments: Guzei, Ilia A.; Wang, Cheng; Zhan, Yulian; Dolomanov, Oleg V.; Cheng, Yi-Qiang Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ions Acta Crystallographica Section C 65(10) (2009) o521-o524 Space group: P 1 2/n 1 Cell volume: 4091 Cell parameters: 28.252; 5.569; 28.27; 90; 113.12; 90; |
COD ID: 2018169 | |
CIF file | Formula: - C9 H12 Cl N3 O2 - Comments: Cheng, Yuan; Chen, Lu-Sheng; Liu, Qi-Kui; Wu, Jun; Guo, Dian-Shun Supramolecular structures constructed by 3-(2-amino-6-chloropyrimidin-4-yl)-1,1-dimethylprop-2-yn-1-ol monohydrate and 3-[2-amino-6-(3-hydroxy-3,3-dimethylprop-1-yn-1-yl)pyrimidin-4-yl]-1,1-dimethylprop-2-yn-1-ol Acta Crystallographica Section C 67(7) (2011) o244-o248 Space group: P 1 2/n 1 Cell volume: 1118.9 Cell parameters: 6.0021; 11.003; 16.96; 90; 92.566; 90; |
COD ID: 2018259 | |
CIF file | Formula: - C20 H32 B2 N4 - Comments: Batsanov, Andrei S.; Bramham, George; Norman, Nicholas C.; Russell, Christopher A. A variable-temperature study of 1,2-bis(dimethylamino)-1,2-bis(2,6-dimethylanilino)diborane Acta Crystallographica Section C 67(10) (2011) o394-o396 Space group: P 1 2/n 1 Cell volume: 1056.6 Cell parameters: 10.4957; 9.6327; 10.5554; 90; 98.06; 90; |
COD ID: 2018275 | |
CIF file | Formula: - C6 H12 N2 O7 P2 - Comments: Matczak-Jon, Ewa; Ślepokura, Katarzyna Conformations and resulting hydrogen-bonded networks of hydrogen {phosphono[(pyridin-1-ium-3-yl)amino]methyl}phosphonate and related 2-chloro and 6-chloro derivatives Acta Crystallographica Section C 67(11) (2011) o450-o456 Space group: P 1 2/n 1 Cell volume: 1068.1 Cell parameters: 9.068; 7.513; 16.126; 90; 103.55; 90; |
COD ID: 2018288 | |
CIF file | Formula: - C59 H68 Co2 N6 O25 - Comments: Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ~2~-5-carboxybenzene-1,2,4-tricarboxylato)bis[μ~2~-1,3-bis(4-pyridyl)propane]dicobalt(II)} pentahydrate] Acta Crystallographica Section C 67(11) (2011) m367-m370 Space group: P 1 2/n 1 Cell volume: 3055.5 Cell parameters: 18.068; 9.346; 18.209; 90; 96.421; 90; |
COD ID: 2018420 | |
CIF file | Formula: - C H10 N2 O5 - Comments: Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds Acta Crystallographica Section C 68(3) (2012) i20-i24 Space group: P 1 2/n 1 Cell volume: 562.45 Cell parameters: 7.5657; 9.9027; 7.5819; 90; 98.05; 90; |
COD ID: 2018743 | |
CIF file | Formula: - C9 H10 La N2 O9 - Comments: Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)] Acta Crystallographica Section C 69(1) (2013) 5-7 Space group: P 1 2/n 1 Cell volume: 1244.7 Cell parameters: 13.022; 4.9269; 19.42; 90; 92.54; 90; |
COD ID: 2018832 | |
CIF file | Formula: - C11 H16 Ag4 I4 N4 - Comments: Yuan, Shuai; Liu, Shan-Shan; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di A two-dimensional silver‒iodide organic network constructed from a unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif Acta Crystallographica Section C 69(3) (2013) 216-218 Space group: P 1 2/n 1 Cell volume: 1083.2 Cell parameters: 12.809; 4.541; 18.788; 90; 97.621; 90; |
COD ID: 2019139 | |
CIF file | Formula: - Cl3 H12 Nd O6 - Comments: Hsieh, Kuan-Ying; Bendeif, El-Eulmi; Pillet, Sebastien; Doudouh, Abdelatif; Schaniel, Dominik; Woike, Theo Structural reinvestigation of the photoluminescent complex [NdCl~2~(H~2~O)~6~]Cl Acta Crystallographica Section C 69(9) (2013) 1002-1005 Space group: P 1 2/n 1 Cell volume: 505.34 Cell parameters: 7.985; 6.5561; 9.6727; 90; 93.655; 90; |
COD ID: 2019578 | |
CIF file | Formula: - C38 H34 Co N2 O14 - Comments: Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate] Acta Crystallographica Section C 70(7) (2014) 654-658 Space group: P 1 2/n 1 Cell volume: 1832.7 Cell parameters: 12.3557; 11.3518; 13.6847; 90; 107.283; 90; |
COD ID: 2019846 | |
CIF file | Formula: - C23 H22 N2 O4 S - Comments: Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A. Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o152 Space group: P 1 2/n 1 Cell volume: 4226 Cell parameters: 16.311; 11.103; 23.585; 90; 98.354; 90; |
COD ID: 2019938 | |
CIF file | Formula: - C13 H8 Cl2 N2 O4 - Comments: Sovago, Ioana; Bond, Andrew D. Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i> Acta Crystallographica Section C 71(5) (2015) 394-401 Space group: P 1 2/n 1 Cell volume: 5277.7 Cell parameters: 15.304; 12.9458; 26.6596; 90; 92.282; 90; |
COD ID: 2019954 | |
CIF file | Formula: - H21 Na O38 Rb4 V10 - Comments: Yakubovich, Olga V.; Steele, Ian M.; Yakovleva, Ekaterina V.; Dimitrova, Olga V. One-dimensional decavanadate chains in the crystal structure of Rb~4~[Na(H~2~O)~6~][HV~10~O~28~]·4H~2~O Acta Crystallographica Section C 71(6) (2015) Space group: P 1 2/n 1 Cell volume: 1637.87 Cell parameters: 10.7971; 11.0286; 13.7963; 90; 94.45; 90; |
COD ID: 2020301 | |
CIF file | Formula: - C24 H14 Br2 N2 O2 Zn - Comments: Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand Acta Crystallographica Section C 71(12) (2015) Space group: P 1 2/n 1 Cell volume: 1062.7 Cell parameters: 10.169; 7.858; 13.818; 90; 105.757; 90; |
COD ID: 2020837 | |
CIF file | Formula: - C32 H36 Co N8 O8 - Comments: Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate Acta Crystallographica Section C 73(8) (2017) 645-651 Space group: P 1 2/n 1 Cell volume: 1682.3 Cell parameters: 13.264; 9.0189; 14.709; 90; 107.04; 90; |
COD ID: 2020838 | |
CIF file | Formula: - C32 H36 N8 Ni O8 - Comments: Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate Acta Crystallographica Section C 73(8) (2017) 645-651 Space group: P 1 2/n 1 Cell volume: 1670.4 Cell parameters: 13.192; 9.018; 14.67; 90; 106.84; 90; |
COD ID: 2021256 | |
CIF file | Formula: - Ge2 H80 K4 Na16 O181 P2 W38 Zr4 - Comments: Zhang, Zhong; Wang, Yue-Lin; Yang, Guo-Yu An unprecedented Zr-containing polyoxometalate tetramer with mixed trilacunary/dilacunary Keggin-type polyoxotungstate units Acta Crystallographica Section C 74(11) (2018) Space group: P 1 2/n 1 Cell volume: 8421.8 Cell parameters: 22.5605; 11.4578; 32.7134; 90; 95.172; 90; |
COD ID: 2022135 | |
CIF file | Formula: - C6 H9 I N2 O - Comments: Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides Acta Crystallographica Section C 76(5) (2020) 468-475 Space group: P 1 2/n 1 Cell volume: 440.78 Cell parameters: 7.1803; 7.2139; 8.6574; 90; 100.603; 90; |
COD ID: 2022208 | |
CIF file | Formula: - C53 H52 Cl4 F4 N8 O12 - Comments: Cleetus, Annie; Rani, Gulshan; Dharma Rao, G. B.; Chopra, Deepak Crystal structures of the anhydrous and two solvated forms of methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Crystallographica Section C 76(8) (2020) Space group: P 1 2/n 1 Cell volume: 2666.89 Cell parameters: 16.207; 9.1642; 17.963; 90; 91.607; 90; |
COD ID: 2022356 | |
CIF file | Formula: - C19 H29 Br3 Cu3 N O6 - Comments: Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei Three coordination polymers built by quaternary-ammonium-modified isophthalic acid Acta Crystallographica Section C 77(5) (2021) 221-226 Space group: P 1 2/n 1 Cell volume: 2574.3 Cell parameters: 9.0572; 10.6773; 26.743; 90; 95.505; 90; |
COD ID: 2100342 | |
CIF file | Formula: - C6 H16 O3 - Comments: Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt The unusual phases of anhydrous and hydrated pinacol Acta Crystallographica Section B 61(6) (2005) 689-699 Space group: P 1 2/n 1 Cell volume: 824.4 Cell parameters: 10.582; 7.3637; 10.587; 90; 92.13; 90; |
COD ID: 2101485 | |
CIF file | Formula: - C52 H49 F6 P5 Pt2 S - Comments: Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands Acta Crystallographica Section B 52(2) (1996) 270-276 Space group: P 1 2/n 1 Cell volume: 2528.3 Cell parameters: 13.742; 11.058; 16.7504; 90; 96.644; 90; |
COD ID: 2101486 | |
CIF file | Formula: - C52 H49 F6 P5 Pd Pt S - Comments: Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands Acta Crystallographica Section B 52(2) (1996) 270-276 Space group: P 1 2/n 1 Cell volume: 2531.6 Cell parameters: 13.724; 11.097; 16.74; 90; 96.77; 90; |
COD ID: 2101822 | |
CIF file | Formula: - C17 H39 N3 O6 S - Comments: Li, Q.; Mak, T. C. W. Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid Acta Crystallographica Section B 53(2) (1997) 252-261 Space group: P 1 2/n 1 Cell volume: 2384.1 Cell parameters: 16.866; 8.311; 17.603; 90; 104.94; 90; |
COD ID: 2102475 | |
CIF file | Formula: - C46 H38 Cd F8 N6 O6 - Comments: Marsh, Richard E. Space group <i>Cc</i>: an update Acta Crystallographica Section B 60(2) (2004) 252-253 Space group: P 1 2/n 1 Cell volume: 4730.42 Cell parameters: 13.033; 16.865; 21.579; 90; 94.19; 90; |
COD ID: 2102621 | |
CIF file | Formula: - C10 H14 Cl6 I2 N2 O2 Pt - Comments: Zordan, Fiorenzo; Brammer, Lee Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates Acta Crystallographica Section B 60(5) (2004) 512-519 Space group: P 1 2/n 1 Cell volume: 1046.9 Cell parameters: 7.968; 7.32; 18.243; 90; 100.3; 90; |
COD ID: 2104900 | |
CIF file | Formula: - C12 H16 N8 Ni O6 V2 - Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52 Space group: P 1 2/n 1 Cell volume: 3788.64 Cell parameters: 16.1379; 14.3657; 16.3422; 90; 90.1205; 90; |
COD ID: 2104909 | |
CIF file | Formula: - C10 H13 Cl N2 O3 S - Comments: Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V. Solid-state transformations in the β-form of chlorpropamide on cooling to 100K Acta Crystallographica Section B 67(2) (2011) 163-176 Space group: P 1 2/n 1 Cell volume: 5026.6 Cell parameters: 28.4475; 9.2322; 19.2298; 90; 95.562; 90; |
COD ID: 2105377 | |
CIF file | Formula: - Ag6 O7 Si2 - Comments: Jansen, M. Silber(I)-disilikat Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3584-3586 Space group: P 1 2/n 1 Cell volume: 407.109 Cell parameters: 10.264; 5.259; 8.052; 90; 110.5; 90; |
COD ID: 2105486 | |
CIF file | Formula: - H13 N3 O8 S2 - Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343 Space group: P 1 2/n 1 Cell volume: 897.7 Cell parameters: 15.473; 5.849; 10.131; 90; 101.75; 90; |
COD ID: 2105487 | |
CIF file | Formula: - H13 N3 O8 S2 - Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343 Space group: P 1 2/n 1 Cell volume: 894.5 Cell parameters: 15.534; 5.825; 10.089; 90; 101.52; 90; |
COD ID: 2105488 | |
CIF file | Formula: - H13 N3 O8 S2 - Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343 Space group: P 1 2/n 1 Cell volume: 1787.8 Cell parameters: 15.538; 11.641; 10.085; 90; 101.46; 90; |
COD ID: 2107273 | |
CIF file | Formula: - C3.2 H9.6 I2.4 N1.6 Pb0.4 - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P 1 2/n 1 Cell volume: 1124.55 Cell parameters: 9.8058; 9.2603; 12.4081; 90; 93.553; 90; |
COD ID: 2108004 | |
CIF file | Formula: - C24 H17 F6 N3 O4 Zn - Comments: Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B 72(6) (2016) 828-835 Space group: P 1 2/n 1 Cell volume: 1263.79 Cell parameters: 11.5334; 9.2949; 13.0287; 90; 115.198; 90; |
COD ID: 2200416 | |
CIF file | Formula: - C7 H8 O6 - Comments: Okabe, Nobuo; Kyoyama, Hasuyo; Suzuki, Misato Gallic acid monohydrate Acta Crystallographica Section E 57(8) (2001) o764-o766 Space group: P 1 2/n 1 Cell volume: 764 Cell parameters: 14.15; 3.622; 15.028; 90; 97.52; 90; |
COD ID: 2200446 | |
CIF file | Formula: - C20 H14 Mn N2 O6 - Comments: J. M. S. Skakle; M. R. St J. Foreman; M. J. Plater <i>catena</i>-Poly[[[(1,10-phenanthroline)manganese(II)]-μ-(1-hydroxybenzene-3,5-dicarboxylato)] hydrate] Acta Crystallographica Section E 57(8) (2001) m373-m375 Space group: P 1 2/n 1 Cell volume: 1788.68 Cell parameters: 8.6089; 12.2249; 17.3057; 90; 100.86; 90; |
COD ID: 2200673 | |
CIF file | Formula: - C18 H14 Cl2 Co N2 - Comments: Wang, Wenguo; Huang, Deguang; Zhu, Hongping; Chen, Changneng; Liu, Qiutian Monoclinic form of dichlorobis(quinoline-<i>N</i>)cobalt(II) Acta Crystallographica Section E 57(12) (2001) m587-m588 Space group: P 1 2/n 1 Cell volume: 803.58 Cell parameters: 7.7864; 7.0874; 14.5616; 90; 90.174; 90; |
COD ID: 2201800 | |
CIF file | Formula: - C12 H48 Mn2 N12 Sb2 Se5 - Comments: Näther, Christian; Wendland, Frank; Bensch, Wolfgang Twinned bis[tris(1,2-ethanediamine-κ^2^<i>N,N</i>')manganese(II)] pentaselenodiantimonate(III) Acta Crystallographica Section E 59(3) (2003) m119-m121 Space group: P 1 2/n 1 Cell volume: 3446.5 Cell parameters: 19.909; 9.041; 20.015; 90; 106.928; 90; |
COD ID: 2202038 | |
CIF file | Formula: - Al Ba Ca F7 - Comments: Werner, Franz; Weil, Matthias α-BaCaAlF~7~ Acta Crystallographica, Section E 59 (2003) i17-i19 Space group: P 1 2/n 1 Cell volume: 543.55 Cell parameters: 5.3664; 5.3846; 18.8262; 90; 92.319; 90; |
COD ID: 2203141 | |
CIF file | Formula: - H21 K4 Na O38 V10 - Comments: Lee, Uk; Joo, Hea-Chung A novel monoprotonated decavanadate, K~4~Na[HV~10~O~28~]·10H~2~O Acta Crystallographica Section E 60(2) (2004) i22-i24 Space group: P 1 2/n 1 Cell volume: 1630.6 Cell parameters: 10.804; 11.034; 13.748; 90; 95.78; 90; |
COD ID: 2203384 | |
CIF file | Formula: - C31 H34 N9 O16 Yb - Comments: Rafizadeh, Masoud; Ranjbar, M.; Amani, V. Dihydronium 2,6-diaminopyridinium tris(2,6-pyridinedicarboxylato)ytterbate(III) dihydrate Acta Crystallographica Section E 60(4) (2004) m479-m481 Space group: P 1 2/n 1 Cell volume: 1798.54 Cell parameters: 9.6357; 10.5295; 17.7932; 90; 94.953; 90; |
COD ID: 2203503 | |
CIF file | Formula: - C8 H11 N O3 S - Comments: Baranac, Marija; Marković, Rade; Steel, Peter J. Ethyl (<i>E</i>)-2-(4-oxo-1,3-thiazinan-2-ylidene)ethanoate Acta Crystallographica Section E 60(4) (2004) o484-o485 Space group: P 1 2/n 1 Cell volume: 1877.84 Cell parameters: 14.0313; 9.1124; 15.0553; 90; 102.703; 90; |
COD ID: 2203507 | |
CIF file | Formula: - C20 H14 Co N2 O6 - Comments: Xin-Yi Cao; Jian Zhang; Yao Kang; Jian-Kai Cheng; Zhao-Ji Li; Xiao-Qin Wan; Yuan-Gen Yao Poly[[[(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O,O</i>':<i>O</i>'':<i>O</i>'''] monohydrate] Acta Crystallographica Section E 60(4) (2004) m460-m461 Space group: P 1 2/n 1 Cell volume: 1712 Cell parameters: 8.5218; 12.044; 17.028; 90; 101.599; 90; |
COD ID: 2203779 | |
CIF file | Formula: - C33 H34 Cl2 Fe2 N6 O4 Ru2 S2 - Comments: Jing-Mu Yang; Wen-Bin Ma; Bao-Hua Chen; Guo-Sheng Huang; Yong-Xiang Ma Bis[μ-(<i>S</i>)-1-(1-ferrocenylethylidene)-4-methylthiosemicarbazide-κ^2^<i>C</i>^2^,<i>N,S</i>:<i>S</i>]bis(dicarbonylruthenium) dichloromethane solvate Acta Crystallographica Section E 60(6) (2004) m852-m853 Space group: P 1 2/n 1 Cell volume: 1876.7 Cell parameters: 7.8664; 10.714; 22.582; 90; 99.569; 90; |
COD ID: 2204999 | |
CIF file | Formula: - C14 H12 Ag4 O14 S2 - Comments: Gao, Shan; Zhu, Zhi-Bao; Huo, Li-Hua; Ng, Seik Weng Poly[di-μ-aqua-bis(μ~8~-3-carboxylato-4-hydroxybenzenesulfonato)tetrasilver(I)] Acta Crystallographica Section E 61(2) (2005) m282-m284 Space group: P 1 2/n 1 Cell volume: 1002.8 Cell parameters: 7.493; 16.237; 8.253; 90; 92.91; 90; |
COD ID: 2205004 | |
CIF file | Formula: - C4 H6 Cu N6 Na2 O4 - Comments: Näther, Christian; Greve, Jan; Jeß, Inke Poly[di-μ~4~-acetato-di-μ~2~-azido-copper(II)disodium(I)] at 150K Acta Crystallographica Section E 61(2) (2005) m314-m316 Space group: P 1 2/n 1 Cell volume: 510.61 Cell parameters: 6.6691; 7.8721; 9.7547; 90; 94.404; 90; |
COD ID: 2205168 | |
CIF file | Formula: - C41 H61 N O4 - Comments: Alcock, Nathaniel W.; Rourke, Jonathan P 2,6-Bis[2,4-bis(heptyloxy)phenyl]pyridine Acta Crystallographica Section E 61(2) (2005) o368-o369 Space group: P 1 2/n 1 Cell volume: 1878 Cell parameters: 11.2502; 6.9682; 24.014; 90; 93.963; 90; |
COD ID: 2205409 | |
CIF file | Formula: - C14 H13 I3 N2 O4 - Comments: Jones, Peter G.; Cots, Berta; Zerbe, Eva-Maria 1-Carboxymethyl-3-iodo-1-pyridinium‒iodide‒(3-iodo-1-pyridinio)acetate (1/1/1) Acta Crystallographica Section E 61(4) (2005) o895-o897 Space group: P 1 2/n 1 Cell volume: 911.34 Cell parameters: 10.9984; 6.3486; 13.2439; 90; 99.768; 90; |
COD ID: 2205960 | |
CIF file | Formula: - C3 H14 N2 O4 Se - Comments: Todd, Malcolm J.; Harrison, William T. A. Propane-1,2-diaminium selenite monohydrate Acta Crystallographica Section E 61(6) (2005) o1538-o1540 Space group: P 1 2/n 1 Cell volume: 826.23 Cell parameters: 11.5494; 6.1399; 11.6601; 90; 92.213; 90; |
COD ID: 2206118 | |
CIF file | Formula: - C72 H74 O4 - Comments: Abdelhak, Ettahiri; Merle, Daphne; Perrin, Monique; Thozet, Alain <i>p</i>-Cumylcalix[4]arene‒<i>para</i>-xylene (1/1) Acta Crystallographica Section E 61(7) (2005) o2001-o2002 Space group: P 1 2/n 1 Cell volume: 2782 Cell parameters: 14.66; 12.62; 15.14; 90; 96.62; 90; |
COD ID: 2207672 | |
CIF file | Formula: - C15 H20 N2 Ni O9 - Comments: Shu-Min Zhao; Tian-Xing Wu <i>trans</i>-Diaqua(malonato)(1,10-phenanthroline)nickel(II) trihydrate Acta Crystallographica Section E 61(12) (2005) m2544-m2545 Space group: P 1 2/n 1 Cell volume: 919.11 Cell parameters: 8.9389; 12.1466; 9.4334; 90; 116.189; 90; |
COD ID: 2207791 | |
CIF file | Formula: - C22 H16 N6 - Comments: Chen, Xu-Dong; Zhang, Lin-Ping; Du, Miao Di-2-pyridyl ketone azine Acta Crystallographica Section E 62(1) (2006) o284-o285 Space group: P 1 2/n 1 Cell volume: 903.6 Cell parameters: 12.226; 5.8241; 13.617; 90; 111.265; 90; |
COD ID: 2207940 | |
CIF file | Formula: - C31 H34 Dy N9 O16 - Comments: Rafizadeh, M.; Amani, V. Dihydronium bis(2,6-diaminopyridinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>O</i>',<i>N</i>)dysprosate(III) dihydrate Acta Crystallographica Section E 62(1) (2006) m90-m91 Space group: P 1 2/n 1 Cell volume: 1829.9 Cell parameters: 9.654; 10.579; 17.972; 90; 94.483; 90; |
COD ID: 2209667 | |
CIF file | Formula: - C18 H16 Co N2 O7 - Comments: Zhuo, Xin; Pan, Zhao-Rui; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''] dihydrate] Acta Crystallographica Section E 62(7) (2006) m1722-m1724 Space group: P 1 2/n 1 Cell volume: 1860.1 Cell parameters: 10.917; 11.53; 15.079; 90; 101.473; 90; |
COD ID: 2210009 | |
CIF file | Formula: - C52 H44 Co2 N4 O22 - Comments: Xu, Ji-Yang; Contreras, Damacio S.; Fronczek, Frank R.; Chen, Banglin Poly[diaquabis(μ~2~-4,4'-bipyridine)bis(μ~3~-5,5'-dicarboxybiphenyl-2,2'-dicarboxylato)dicobalt(II) tetrahydrate] Acta Crystallographica Section E 62(8) (2006) m1906-m1908 Space group: P 1 2/n 1 Cell volume: 2445 Cell parameters: 9.877; 11.393; 21.763; 90; 93.25; 90; |
COD ID: 2210454 | |
CIF file | Formula: - C25 H16 N2 O7 - Comments: Butt, M. Saeed; Khawar Rauf, M.; Bolte, Michael; Akhter, Zareen; Zafar-uz-Zaman,M Bis[4-(4-nitrophenoxy)phenyl] ketone Acta Crystallographica Section E 62(9) (2006) o3857-o3858 Space group: P 1 2/n 1 Cell volume: 2103.5 Cell parameters: 11.535; 11.396; 16.724; 90; 106.9; 90; |
COD ID: 2211242 | |
CIF file | Formula: - C18 H20 Cd N2 O8 - Comments: Ya-Ru Pan; Li-Bin Wang; Pei-Ying Zhan; Yan-Ling Niu; Gao-Quan Zhang <i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,4-dicarboxylate] Acta Crystallographica Section E 62(11) (2006) m3034-m3035 Space group: P 1 2/n 1 Cell volume: 923.8 Cell parameters: 7.029; 11.649; 11.541; 90; 102.143; 90; |
COD ID: 2212042 | |
CIF file | Formula: - C21 H20 O6 - Comments: Sahoo Prangya Parimita; Yadav Vivek Ramshankar; Sarasija Suresh; Guru Row, T. N. Redetermination of curcumin: (1<i>E</i>,4<i>Z</i>,6<i>E</i>)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one Acta Crystallographica Section E 63(2) (2007) o860-o862 Space group: P 1 2/n 1 Cell volume: 1815.6 Cell parameters: 12.707; 7.2186; 19.88; 90; 95.348; 90; |
COD ID: 2212978 | |
CIF file | Formula: - C14 H12 N5 O0.5 - Comments: Liu, Sheng-Gui; Ni, Chun-Lin; Li, Yi-Zhi 1-(Benzimidazol-2-ylmethyl)-1<i>H</i>-benzotriazole hemihydrate Acta Crystallographica Section E 63(4) (2007) o1827-o1828 Space group: P 1 2/n 1 Cell volume: 1364.7 Cell parameters: 12.973; 7.7999; 13.569; 90; 96.3; 90; |
COD ID: 2213384 | |
CIF file | Formula: - C8 H7.5 Br1.5 N O1.625 - Comments: Xiang-Chao Zeng; Xue-Ling Xu; Xin Ling; Jing Zeng; Xia Li Methyl [(3,4,5-tribromo-1<i>H</i>-pyrrolyl-2-carbonyl)amino]acetate 0.25-hydrate Acta Crystallographica Section E 63(5) (2007) o2712-o2712 Space group: P 1 2/n 1 Cell volume: 2459.5 Cell parameters: 15.9656; 9.7566; 16.1805; 90; 102.625; 90; |
COD ID: 2213499 | |
CIF file | Formula: - C62 H70 B4 F12 O8 - Comments: Bramham, George; Batsanov, Andrei S.; Marder, Todd B.; Norman, Nicholas C. Solid solution of <i>cis</i>-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-bis[4-(trifluoromethyl)phenyl]ethene‒<i>cis</i>-2-(1,3,2-benzodioxaborolan-2-yl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-bis[4-(trifluoromethyl)phenyl]ethene‒hexane solvate (1/1/1) Acta Crystallographica Section E 63(5) (2007) o2367-o2369 Space group: P 1 2/n 1 Cell volume: 2966.9 Cell parameters: 16.598; 6.4631; 28.535; 90; 104.25; 90; |
COD ID: 2213673 | |
CIF file | Formula: - C34 H26 Cl2 Mn N4 O5 - Comments: De-Yun Ma; Guo-Hua Deng <i>catena</i>-Poly[[[aquabis(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']4,4'-bipyridine solvate] Acta Crystallographica Section E 63(6) (2007) m1772-m1772 Space group: P 1 2/n 1 Cell volume: 1581.61 Cell parameters: 11.69; 6.151; 22.5184; 90; 102.369; 90; |
COD ID: 2213928 | |
CIF file | Formula: - C15 H34 O10 P2 S2 - Comments: Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn A diisopropoxyphosphonate disulfone Acta Crystallographica Section E 63(6) (2007) o3046-o3046 Space group: P 1 2/n 1 Cell volume: 4843.8 Cell parameters: 21.7314; 10.2307; 21.815; 90; 92.922; 90; |
COD ID: 2214637 | |
CIF file | Formula: - B5 Cs Gd4 Li2 O15 - Comments: Xia, Ming-Jun; Li, R. K. A new quaternary rare earth borate, CsLi~2~Gd~4~(BO~3~)~5~ Acta Crystallographica Section E 63(8) (2007) i173-i173 Space group: P 1 2/n 1 Cell volume: 1334.2 Cell parameters: 10.644; 6.4661; 20.093; 90; 105.25; 90; |
COD ID: 2214762 | |
CIF file | Formula: - C6 H14 Cr2 N4 O7 S2 - Comments: Sieroń, Lesław Bis(2-amino-2-thiazolinium) dichromate(VI) Acta Crystallographica Section E 63(8) (2007) m2068-m2068 Space group: P 1 2/n 1 Cell volume: 736.956 Cell parameters: 8.0304; 6.5332; 14.1019; 90; 95.065; 90; |
COD ID: 2215684 | |
CIF file | Formula: - C24 H20 Au Br2 P - Comments: Cassandra L. Noack; Robbie W. Buckley; Peter C. Healy Tetraphenylphosphonium dibromidoaurate(I) Acta Crystallographica Section E 63(10) (2007) m2459-m2459 Space group: P 1 2/n 1 Cell volume: 1147.2 Cell parameters: 10.372; 7.602; 14.559; 90; 92.05; 90; |
COD ID: 2215780 | |
CIF file | Formula: - C8 H20 Cd I4 N2 - Comments: Guo, Hong-Xu; Wu, Shu-Zhen; Cai, Mei-Shuang; Yao, Shan-Shan 1,1,4,4-Tetramethylpiperazinium tetraiodidocadmate(II) Acta Crystallographica Section E 63(11) (2007) m2747-m2747 Space group: P 1 2/n 1 Cell volume: 920.2 Cell parameters: 9.777; 7.772; 12.184; 90; 96.326; 90; |
COD ID: 2216078 | |
CIF file | Formula: - C34 H34 Cd Cl2 N4 O8 - Comments: Zhao-Peng Deng; Shan Gao; Li-Hua Huo; Hui Zhao 2,2'-[<i>m</i>-Phenylenebis(methyleneimino)]dipyridinium dichloridobis(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')cadmate(II) dihydrate Acta Crystallographica Section E 63(11) (2007) m2834-m2834 Space group: P 1 2/n 1 Cell volume: 1716.8 Cell parameters: 7.7856; 11.956; 18.509; 90; 94.84; 90; |
COD ID: 2216128 | |
CIF file | Formula: - C27 H24 O9 - Comments: Marlon R. Lutz Jr; Matthias Zeller; Daniel P. Becker 2,3,5',6,6',7-Hexamethoxy-3'<i>H</i>,10<i>H</i>-spiro[anthracene-9,1'-isobenzofuran]-3',10-dione Acta Crystallographica Section E 63(11) (2007) o4390-o4391 Space group: P 1 2/n 1 Cell volume: 2788.7 Cell parameters: 13.1371; 13.3281; 16.6587; 90; 107.043; 90; |
COD ID: 2216436 | |
CIF file | Formula: - C7 H8 Ag F6 N4 P - Comments: Wu, Ling-Yan; Zhu, Zhu; Jin, Chuan-Ming <i>catena</i>-Poly[[silver(I)-μ-1,1'-methylenediimidazole] hexafluoridophosphate] Acta Crystallographica Section E 63(12) (2007) m2967-m2967 Space group: P 1 2/n 1 Cell volume: 588.24 Cell parameters: 8.3966; 5.1604; 13.6211; 90; 94.666; 90; |
COD ID: 2216490 | |
CIF file | Formula: - C28 H32 Cl6 Cu3 N6 O4 - Comments: Qiang Wang; Da-Qi Wang; Yu-Ying Sun Di-μ-chlorido-1:2κ^2^<i>Cl</i>,2:3κ^2^<i>Cl</i>-tetrachlorido-1κ<i>Cl</i>,2κ^2^<i>Cl</i>,3κ<i>Cl</i>-bis[<i>N</i>,<i>N</i>''-bis(2-furylmethylene)diethylenetriamine]-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';3κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-tricopper(II) Acta Crystallographica Section E 63(12) (2007) m3010-m3010 Space group: P 1 2/n 1 Cell volume: 1823.2 Cell parameters: 10.9456; 7.5287; 22.248; 90; 96.048; 90; |
COD ID: 2216581 | |
CIF file | Formula: - C18 H14 N2 O6 Zn - Comments: Li, Xiao-Feng; An, Yan; Yin, Yan-Sheng <i>catena</i>-Poly[[[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ~3~-(5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')] monohydrate] Acta Crystallographica Section E 63(12) (2007) m3117-m3118 Space group: P 1 2/n 1 Cell volume: 1683.3 Cell parameters: 8.777; 10.9763; 17.981; 90; 103.65; 90; |
COD ID: 2216746 | |
CIF file | Formula: - C24 H26 Cu N4 O6 - Comments: Guo-Hua Wei; Jie Liu; Hong-Ye Bai; Jin Yang <i>catena</i>-Poly[[[bis(benzoato-κ<i>O</i>)copper(II)]-μ-1,1'-(3-oxapentane-1,5-diyl)diimidazole] monohydrate] Acta Crystallographica Section E 63(12) (2007) m3146-m3146 Space group: P 1 2/n 1 Cell volume: 1179.2 Cell parameters: 11.496; 7.74; 13.609; 90; 103.14; 90; |
COD ID: 2218202 | |
CIF file | Formula: - C10 H20 Cl4 N4 O2 Zn - Comments: Yu, Ying-Hui; Shi, Ai-E; Su, Yu; Hou, Guang-Feng; Gao, Jin-Sheng 1,1'-(Butane-1,4-diyl)diimidazole-3,3'-diium tetrachloridozincate(II) dihydrate Acta Crystallographica Section E 64(5) (2008) m628 Space group: P 1 2/n 1 Cell volume: 890.5 Cell parameters: 7.401; 10.927; 11.058; 90; 95.23; 90; |
COD ID: 2218514 | |
CIF file | Formula: - C53 H32 Cd2 N8 O12 - Comments: Yuan, Xiao-Huan; Zhang, Wen-Zhi; Chu, Yan-Hui Poly[[diaqua[μ~4~-4,4'-carbonylbis(benzene-1,2-dicarboxylato)]bis(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)dicadmium(II)] monohydrate] Acta Crystallographica Section E 64(6) (2008) m810-m811 Space group: P 1 2/n 1 Cell volume: 2201.6 Cell parameters: 15.698; 6.7028; 21.428; 90; 102.45; 90; |
COD ID: 2221147 | |
CIF file | Formula: - C11 H10 N4 - Comments: Wu, Chia-Jun; Su, Chang-Wei; Yeh, Chun-Wei; Chen, Jhy-Der; Wang, Ju-Chun <i>N</i>^1^,<i>N</i>^2^-Bis(2-pyridyl)formamidine Acta Crystallographica Section E 65(3) (2009) o536 Space group: P 1 2/n 1 Cell volume: 996.1 Cell parameters: 11.0411; 4.3904; 20.789; 90; 98.725; 90; |
COD ID: 2221685 | |
CIF file | Formula: - C65 H86 N16 O14 S4 - Comments: Bartolucci, Gianluca; Bruni, Bruno; Coran, Silvia A.; Di Vaira, Massimo 4-(3-Methylanilino)-<i>N</i>-[<i>N</i>-(1-methylethyl)carbamoyl]pyridinium-3-sulfonamidate (torasemide) methanol 0.25-solvate 0.25-hydrate Acta Crystallographica Section E 65(5) (2009) o970-o971 Space group: P 1 2/n 1 Cell volume: 3762.21 Cell parameters: 16.8477; 11.5951; 20.3256; 90; 108.646; 90; |
COD ID: 2222372 | |
CIF file | Formula: - C18 H20 N2 O8 Zn - Comments: Ruan, Ming-Bo; Deng, Jian-Cheng; Li, Zhi-Gang; Xu, Jing-Wei <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,4-dicarboxylate] Acta Crystallographica Section E 65(7) (2009) m743 Space group: P 1 2/n 1 Cell volume: 880.1 Cell parameters: 6.9861; 11.3436; 11.3219; 90; 101.209; 90; |
COD ID: 2224358 | |
CIF file | Formula: - C14 H11 N O2 - Comments: Fernandes, Christiane; Horn Jr, Adolfo; Howie, R. Alan; Schripsma, Jan; Wardell, James L.; Tiekink, Edward R. T. 2-(4<i>H</i>-1,3-Benzoxazin-2-yl)phenol Acta Crystallographica Section E 65(12) (2009) o3104-o3105 Space group: P 1 2/n 1 Cell volume: 1050.57 Cell parameters: 14.1148; 5.1725; 15.8813; 90; 115.032; 90; |
COD ID: 2225014 | |
CIF file | Formula: - C32 H22 Fe N7 O2 - Comments: Kojima, Yoshihiro; Kato, Kazuya; Yamamoto, Yuuki; Inoue, Katsuya; Hayami, Shinya Bis[2-(8-quinolyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]iron(III) azide Acta Crystallographica Section E 66(2) (2010) m204 Space group: P 1 2/n 1 Cell volume: 1278.21 Cell parameters: 11.3717; 10.119; 11.7734; 90; 109.354; 90; |
COD ID: 2225162 | |
CIF file | Formula: - C31 H34 N2 O4 - Comments: Kim, Hee-Joon Dibenzyl 3,3'-diethyl-4,4'-dimethyl-2,2'-methylenebis(pyrrole-5-carboxylate) Acta Crystallographica Section E 66(3) (2010) o566 Space group: P 1 2/n 1 Cell volume: 2734.6 Cell parameters: 14.2002; 7.922; 25.0939; 90; 104.373; 90; |
COD ID: 2225427 | |
CIF file | Formula: - C18 H38 N2 S4 Sn - Comments: Muthalib, Amirah Faizah; Baba, Ibrahim; Samsudin, Mohd Wahid; Ng, Seik Weng Di-<i>tert</i>-butylbis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')tin(IV) Acta Crystallographica Section E 66(4) (2010) m356 Space group: P 1 2/n 1 Cell volume: 1238.6 Cell parameters: 11.2934; 7.0175; 15.6894; 90; 95.016; 90; |
COD ID: 2227143 | |
CIF file | Formula: - C4 H10 Cd N6 O S2 - Comments: Fettouhi, Mohammed; Riaz Malik, Muhammad; Ali, Saqib; A. Isab, Anvarhusein; Ahmad, Saeed Dicyanidobis(thiourea-κ<i>S</i>)cadmium(II) monohydrate Acta Crystallographica Section E 66(8) (2010) m997 Space group: P 1 2/n 1 Cell volume: 572.84 Cell parameters: 10.5955; 4.0782; 13.4127; 90; 98.738; 90; |
COD ID: 2227166 | |
CIF file | Formula: - C14 H18 Cl N3 O4 S2 - Comments: Wang, Guo-Qing; Ma, Cong-Hui; Li, Xiao-Feng; Li, Wen-Ge; Ng, Seik Weng Bis[2-(2-pyridylsulfanyl)ethyl]ammonium perchlorate Acta Crystallographica Section E 66(9) (2010) o2335 Space group: P 1 2/n 1 Cell volume: 891.28 Cell parameters: 8.1265; 9.2291; 11.9872; 90; 97.534; 90; |
COD ID: 2227192 | |
CIF file | Formula: - C24 H14 Mn N6 O12 - Comments: Wang, Jian; Li, Zhu-Lai; Xu, Xiu-Zhi; Yan, Wen-Jin A two-dimensional manganese(II) complex: poly[bis(μ~2~-4,4'-bipyridyl)tetrakis(μ~2~-3,5-dinitrobenzoato)dimanganese(II)] Acta Crystallographica Section E 66(10) (2010) m1187 Space group: P 1 2/n 1 Cell volume: 2465.4 Cell parameters: 10.0873; 11.6336; 21.2191; 90; 98.075; 90; |
COD ID: 2227366 | |
CIF file | Formula: - C17 H18 N4 O - Comments: Kong, Lingqian; Qiao, Yan; Gao, Zhiqing; Ju, Xiuping 1,5-Bis(1-phenylethylidene)carbonohydrazide Acta Crystallographica Section E 66(11) (2010) o2901 Space group: P 1 2/n 1 Cell volume: 1558.9 Cell parameters: 12.9393; 5.4858; 22.703; 90; 104.681; 90; |
COD ID: 2227797 | |
CIF file | Formula: - C16 H16 Mg N2 O10 - Comments: Wu, Cheng-You; Lin, Chia-Her <i>catena</i>-Poly[[diaquamagnesium(II)]-bis(μ-5-ammonioisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] Acta Crystallographica Section E 66(11) (2010) m1437 Space group: P 1 2/n 1 Cell volume: 789.31 Cell parameters: 6.9987; 9.9434; 11.3809; 90; 94.73; 90; |
COD ID: 2228050 | |
CIF file | Formula: - C16 H16 Cl2 N2 O5 - Comments: Chen, Ting; Tan, Xiaosong 2-(4-Chlorophenoxy)-<i>N</i>'-[2-(4-chlorophenoxy)acetyl]acetohydrazide monohydrate Acta Crystallographica Section E 66(11) (2010) o2829 Space group: P 1 2/n 1 Cell volume: 883.8 Cell parameters: 4.8462; 5.4411; 33.521; 90; 90.84; 90; |
COD ID: 2228237 | |
CIF file | Formula: - C22 H8 Co K2 N8 O10 - Comments: Chagas, Luciano Honorato; Janczak, Jan; Machado, Flavia C.; de Oliveira, Luiz Fernando C.; Diniz, Renata Dipotassium tetraaquabis[3,5-bis(dicyanomethylene)cyclopentane-1,2,4-trionato(1{-})-κ<i>N</i>]cobaltate(II) Acta Crystallographica Section E 66(12) (2010) m1673-m1674 Space group: P 1 2/n 1 Cell volume: 1284.2 Cell parameters: 9.406; 7.011; 19.493; 90; 92.58; 90; |
COD ID: 2228549 | |
CIF file | Formula: - C26 H21 Cl2 Co N7 O6.5 - Comments: Wu, Dayu; Zhao, Yan; Ye, Hui; Wu, Genhua Bis[4-chloro-<i>N</i>'-(2-pyridylmethylidene)benzohydrazidato]cobalt(III) nitrate sesquihydrate Acta Crystallographica Section E 66(12) (2010) m1568-m1569 Space group: P 1 2/n 1 Cell volume: 2857 Cell parameters: 14.198; 10.876; 18.553; 90; 94.196; 90; |
COD ID: 2228978 | |
CIF file | Formula: - C22 H26 N4 S2 Sn - Comments: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng Di-<i>n</i>-butylbis(thiocyanato-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tin(IV) Acta Crystallographica Section E 67(2) (2011) m210 Space group: P 1 2/n 1 Cell volume: 2384.46 Cell parameters: 15.0008; 10.522; 15.8359; 90; 107.452; 90; |
COD ID: 2228983 | |
CIF file | Formula: - C30 H46 N2 O10 Sn2 - Comments: Ng, Seik Weng Monoclinic modification of bis(μ~2~-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)] Acta Crystallographica Section E 67(2) (2011) m277 Space group: P 1 2/n 1 Cell volume: 3390.5 Cell parameters: 16.8882; 11.0957; 18.094; 90; 90.251; 90; |
COD ID: 2229398 | |
CIF file | Formula: - C52 H30 Mn N12 O12 - Comments: Xu, Hong-Bin; Ma, Shuai; He, Yu Bis(3-carboxy-5-nitrobenzoato)bis[2-(pyridin-4-yl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]manganese(II) Acta Crystallographica Section E 67(3) (2011) m326 Space group: P 1 2/n 1 Cell volume: 4537.2 Cell parameters: 21.791; 8.2215; 27.27; 90; 111.767; 90; |
COD ID: 2229691 | |
CIF file | Formula: - C16 H16 N4 O7 S2 Zn - Comments: Li, Ya-Ping; Sun, Da-Jun; Zang, Hu; Han, Li-Ying; Su, Guan-Fang <i>catena</i>-Poly[[zinc-bis(μ-2-sulfido-1<i>H</i>-benzimidazol-3-ium-5-carboxylato)-κ^2^<i>O</i>:<i>S</i>;κ^2^<i>S</i>:<i>O</i>] trihydrate] Acta Crystallographica Section E 67(4) (2011) m397 Space group: P 1 2/n 1 Cell volume: 965.6 Cell parameters: 8.031; 9.732; 12.436; 90; 96.584; 90; |
COD ID: 2230207 | |
CIF file | Formula: - C14 H10 O4 - Comments: Deng, Shao-Hua; Zhao, Jun; Mu, Yi-Qiang; Li, Cai; Liu, Hui-Min Biphenyl-3,3'-dicarboxylic acid Acta Crystallographica Section E 67(5) (2011) o1221 Space group: P 1 2/n 1 Cell volume: 560.62 Cell parameters: 6.6123; 3.7648; 22.554; 90; 93.14; 90; |
COD ID: 2231143 | |
CIF file | Formula: - C18 H18 Br2 Cd N2 O4 - Comments: Yu, Jing Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}cadmium Acta Crystallographica Section E 67(8) (2011) m1035 Space group: P 1 2/n 1 Cell volume: 1001.5 Cell parameters: 10.207; 5.3275; 18.656; 90; 99.156; 90; |
COD ID: 2231208 | |
CIF file | Formula: - C14 H14 Ag N5 O2 - Comments: Kennedy, Alan R.; Okoth, Maurice O.; Walsh, David <i>catena</i>-Poly[[(nitrito-κ^2^<i>O</i>,<i>O</i>')silver(I)]-μ-1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine-κ^2^<i>N</i>:<i>N</i>'] Acta Crystallographica Section E 67(8) (2011) m1138 Space group: P 1 2/n 1 Cell volume: 737.19 Cell parameters: 4.8645; 7.3283; 20.7228; 90; 93.71; 90; |
COD ID: 2231538 | |
CIF file | Formula: - C18 H22 N4 O6 - Comments: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T. Ethyl 5-((1<i>E</i>)-1-{(<i>E</i>)-2-[1-(4-ethoxycarbonyl-3-methyl-1,2-oxazol-5-yl)ethylidene]hydrazin-1-ylidene}ethyl)-3-methyl-1,2-oxazole-4-carboxylate Acta Crystallographica Section E 67(9) (2011) o2316 Space group: P 1 2/n 1 Cell volume: 938.83 Cell parameters: 9.4509; 8.5456; 11.9859; 90; 104.107; 90; |
COD ID: 2232307 | |
CIF file | Formula: - C11 H8 Cl N3 O2 - Comments: Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T. <i>N</i>-(3-Chlorophenyl)-3-nitropyridin-2-amine Acta Crystallographica Section E 67(11) (2011) o3076 Space group: P 1 2/n 1 Cell volume: 1041.53 Cell parameters: 15.8781; 3.7157; 18.0651; 90; 102.252; 90; |
COD ID: 2233440 | |
CIF file | Formula: - Fe0.17 Mg0.46 Na0.97 O6 Si2.4 - Comments: Posner, Esther S.; Konzett, Jürgen; Frost, Daniel J.; Downs, Robert T.; Yang, Hexiong High-pressure synthetic (Na~0.97~Mg~0.03~)(Mg~0.43~Fe~0.17~^3+^Si~0.40~)Si~2~O~6~, with six-coordinated silicon, isostructural with <i>P</i>2/<i>n</i> omphacite Acta Crystallographica Section E 68(2) (2012) i18 Space group: P 1 2/n 1 Cell volume: 407.95 Cell parameters: 9.4432; 8.6457; 5.254; 90; 108.003; 90; |
COD ID: 2234514 | |
CIF file | Formula: - C10 H32 I10 N4 - Comments: van Megen, Martin; Reiss, Guido J. The pseudosymmetric structure of bis(pentane-1,5-diaminium) iodide tris(triiodide) Acta Crystallographica Section E 68(5) (2012) o1331-o1332 Space group: P 1 2/n 1 Cell volume: 3124.2 Cell parameters: 11.24742; 24.4932; 11.49947; 90; 99.5311; 90; |
COD ID: 2236116 | |
CIF file | Formula: - C12 H16 Cl4 Hg2 N4 - Comments: Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz Di-μ-chlorido-bis[(2-amino-4-methylpyridine-κ<i>N</i>)chloridomercury(II)] Acta Crystallographica Section E 68(10) (2012) m1300-m1301 Space group: P 1 2/n 1 Cell volume: 936.5 Cell parameters: 7.1777; 9.1672; 14.546; 90; 101.92; 90; |
COD ID: 2236574 | |
CIF file | Formula: - C14 H20 N2 Ni2 O16 - Comments: Li, Jie; Lei, Ke-Wei; Xia, Dong-Guo Poly[[hexaaqua(μ~3~-2,2'-bipyridine-4,4',6,6'-tetracarboxylato-κ^6^<i>O</i>^4^:<i>N</i>,<i>O</i>^6^,<i>O</i>^6'^,<i>N</i>':<i>O</i>^4'^)dinickel(II)] dihydrate] Acta Crystallographica Section E 68(11) (2012) m1421 Space group: P 1 2/n 1 Cell volume: 1032.19 Cell parameters: 7.3588; 11.8463; 11.9942; 90; 99.184; 90; |
COD ID: 2239529 | |
CIF file | Formula: - Cl3 Eu H12 O6 - Comments: Tambornino, Frank; Bielec, Philipp; Hoch, Constantin Redetermination of [EuCl~2~(H~2~O)~6~]Cl Acta Crystallographica Section E 70(6) (2014) i27 Space group: P 1 2/n 1 Cell volume: 498.5 Cell parameters: 9.6438; 6.5322; 7.929; 90; 93.653; 90; |
COD ID: 2239803 | |
CIF file | Formula: - C50 H37 Cl3 O5 - Comments: Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K. 3,10,14,21-Tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloroform monosolvate Acta Crystallographica Section E 70(8) (2014) o873-o874 Space group: P 1 2/n 1 Cell volume: 2031.68 Cell parameters: 9.772; 12.0351; 17.3162; 90; 93.947; 90; |
COD ID: 2239848 | |
CIF file | Formula: - C3 H8 Cl N3 O S2 - Comments: Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate Acta Crystallographica Section E 70(9) (2014) o913-o914 Space group: P 1 2/n 1 Cell volume: 1689.27 Cell parameters: 13.3826; 9.4258; 13.5762; 90; 99.453; 90; |
COD ID: 2241242 | |
CIF file | Formula: - C6 H26 Br Cr3 N12 O14 - Comments: Moon, Dohyun; Tanaka, Shinnosuke; Akitsu, Takashiro; Choi, Jong-Ha Crystal structure of hexakis(urea-κ<i>O</i>)chromium(III) dichromate bromide monohydrate from synchrotron X-ray data Acta Crystallographica Section E 71(11) (2015) 1336-1339 Space group: P 1 2/n 1 Cell volume: 2607 Cell parameters: 13.774; 10.474; 18.123; 90; 94.37; 90; |
COD ID: 2241790 | |
CIF file | Formula: - C18 H14 Cd Cl2 N4 O4 - Comments: Alfonso, Montserrat; Stoeckli-Evans, Helen Isotypic one-dimensional coordination polymers: <i>catena</i>-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] and <i>catena</i>-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] Acta Crystallographica Section E 72(8) (2016) 1214-1218 Space group: P 1 2/n 1 Cell volume: 987.9 Cell parameters: 7.8919; 10.5898; 12.0875; 90; 102.061; 90; |
COD ID: 2241791 | |
CIF file | Formula: - C18 H14 Cl2 Hg N4 O4 - Comments: Alfonso, Montserrat; Stoeckli-Evans, Helen Isotypic one-dimensional coordination polymers: <i>catena</i>-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] and <i>catena</i>-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] Acta Crystallographica Section E 72(8) (2016) 1214-1218 Space group: P 1 2/n 1 Cell volume: 1021.07 Cell parameters: 8.1042; 10.6002; 12.2063; 90; 103.158; 90; |
COD ID: 2242414 | |
CIF file | Formula: - C11 H18 Br2 Cl2 I2 N4 - Comments: Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides Acta Crystallographica Section E 74(4) (2018) 497-501 Space group: P 1 2/n 1 Cell volume: 2181.58 Cell parameters: 16.0223; 8.5334; 16.2881; 90; 101.59; 90; |
COD ID: 2242439 | |
CIF file | Formula: - C14 H12 Cl2 Co N4 - Comments: Seth, Saikat Kumar Structural characterization and Hirshfeld surface analysis of a Co^II^ complex with imidazo[1,2-<i>a</i>]pyridine Acta Crystallographica Section E 74(5) (2018) 600-606 Space group: P 1 2/n 1 Cell volume: 743 Cell parameters: 7.712; 6.7898; 14.348; 90; 98.533; 90; |
COD ID: 2242544 | |
CIF file | Formula: - C11 H10 N4 - Comments: Peters, Morten K.; Näther, Christian; Herges, Rainer Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline Acta Crystallographica Section E 74(7) (2018) 1013-1016 Space group: P 1 2/n 1 Cell volume: 980.03 Cell parameters: 13.2798; 5.9792; 13.413; 90; 113.046; 90; |
COD ID: 2242759 | |
CIF file | Formula: - C8 H40 I2 N8 O18 Pt2 S4 - Comments: Matsushita, Nobuyuki A one-dimensional iodido-bridged Pt^II^/Pt^IV^ mixed-valence complex cation with a hydrogen sulfate counter-anion Acta Crystallographica Section E 74(12) (2018) 1821-1825 Space group: P 1 2/n 1 Cell volume: 789.93 Cell parameters: 7.2964; 5.9451; 18.2253; 90; 92.318; 90; |
COD ID: 2243287 | |
CIF file | Formula: - C23 H28 O4 - Comments: Taia, Abdelmaoujoud; Essaber, Mohamed; Hökelek, Tuncer; Aatif, Abdeljalil; Mague, Joel T.; Alsalme, Ali; Al-Zaqri, Nabil Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane Acta Crystallographica Section E 76(3) (2020) 344-348 Space group: P 1 2/n 1 Cell volume: 1953.9 Cell parameters: 15.4741; 5.0224; 25.518; 90; 99.858; 90; |
COD ID: 2243319 | |
CIF file | Formula: - C8 H8 Ag N3 O3 S2 - Comments: Assoumatine, Tokouré; Stoeckli-Evans, Helen Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine Acta Crystallographica Section E 76(4) (2020) 539-546 Space group: P 1 2/n 1 Cell volume: 511.92 Cell parameters: 3.8995; 6.3902; 20.5741; 90; 93.121; 90; |
COD ID: 2310147 | |
CIF file | Formula: - C4 H6 N O9 Y - Comments: McDonald, T. R. R.; Spink, Jenifer M. The crystal structure of a double oxalate of yttrium and ammonium, NH~4~Y(C~2~O~4~)~2~.H~2~O Acta Crystallographica 23(6) (1967) 944-949 Space group: P 1 2/n 1 Cell volume: 441.1 Cell parameters: 9.18; 6.09; 7.89; 90; 90.2; 90; |
COD ID: 2311890 | |
CIF file | Formula: - C36 H54 Co N7 O11 - Comments: Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O. Acta crystallographica. Section C, Structural chemistry 73(Pt 9) (2017) 731-742 Space group: P 1 2/n 1 Cell volume: 1960.8 Cell parameters: 13.1679; 9.3413; 16.3388; 90; 102.669; 90; |
COD ID: 2311892 | |
CIF file | Formula: - C36 H54 Co N7 O11 - Comments: Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O. Acta crystallographica. Section C, Structural chemistry 73(Pt 9) (2017) 731-742 Space group: P 1 2/n 1 Cell volume: 1931.24 Cell parameters: 13.0259; 9.3504; 16.3308; 90; 103.847; 90; |
COD ID: 2311893 | |
CIF file | Formula: - C36 H54 Co N7 O11 - Comments: Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O. Acta crystallographica. Section C, Structural chemistry 73(Pt 9) (2017) 731-742 Space group: P 1 2/n 1 Cell volume: 1925.7 Cell parameters: 13.008; 9.332; 16.3753; 90; 104.364; 90; |
COD ID: 2312156 | |
CIF file | Formula: - C26 H28 N4 O10 Zr - Comments: Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid. Acta crystallographica. Section C, Structural chemistry 79(8) (2023) Space group: P 1 2/n 1 Cell volume: 1365.28 Cell parameters: 11.3873; 9.0517; 14.4136; 90; 113.225; 90; |
COD ID: 4000300 | |
CIF file | Formula: - C H7 N O8 P2 Sc - Comments: Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B. Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks Chemistry of Materials 15 (2003) 3818-3825 Space group: P 1 2/n 1 Cell volume: 738.5 Cell parameters: 9.4111; 9.1066; 9.695; 90; 117.272; 90; |
COD ID: 4000311 | |
CIF file | Formula: - C48 H68 Co Li2 O8 - Comments: Chemistry of Materials (2003) Space group: P 1 2/n 1 Cell volume: 4659 Cell parameters: 17.338; 13.32; 20.6; 90; 101.699; 90; |
COD ID: 4000460 | |
CIF file | Formula: - S8 - Comments: Chemistry of Materials (2004) Space group: P 1 2/n 1 Cell volume: 815.2 Cell parameters: 8.131; 13.046; 8.349; 90; 113; 90; |
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