Crystallography Open Database
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Searching space group like 'i_1_2/c_1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1001397 | CIF | Ba La O6 Ru Zn | I 1 2/c 1 | 5.6479; 5.6672; 7.9859 90; 90.1; 90 | 255.6 | Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry, 1989, 78, 281-293 |
1001398 | CIF | Ba La O6 Ru Zn | I 1 2/c 1 | 5.6364; 5.6621; 7.9686 90; 90.077; 90 | 254.3 | Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry, 1989, 78, 281-293 |
1001399 | CIF | Fe O6 Ru Sr2 | I 1 2/c 1 | 5.5379; 5.5429; 7.8772 90; 90.11; 90 | 241.8 | Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry, 1989, 78, 281-293 |
1001400 | CIF | Fe O6 Ru Sr2 | I 1 2/c 1 | 5.5092; 5.5138; 7.8752 90; 90.13; 90 | 239.2 | Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry, 1989, 78, 281-293 |
1001401 | CIF | Ba La Ni O6 Ru | I 1 2/c 1 | 5.6093; 5.6154; 7.9571 90; 90.16; 90 | 250.6 | Battle, P D; Gibb, T C; Jones, C W; Studer, F Spin-Glass Behavior in Sr~2~ Fe Ru O~6~ and Ba La Ni Ru O~6~: A Comparison with Antiferromagnetic Ba La Zn Ru O~6~ Journal of Solid State Chemistry, 1989, 78, 281-293 |
1509689 | CIF | Ag2 O2 Pb | I 1 2/c 1 | 6.082; 8.715; 6.556 90; 93.69; 90 | 346.778 | Evers, L.; Bystroem, A. The crystal structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 613-627 |
1509690 | CIF | Ag2 O2 Pb | I 1 2/c 1 | 6.0775; 8.704; 6.553 90; 93.545; 90 | 345.981 | Jansen, M.; Bortz, M. Ag2 Pb O2, Optimierung der Kristallzuechtung und Verfeinerung der Kristallstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989, 579, 123-128 |
1510914 | CIF | B3 Gd O6 | I 1 2/c 1 | 6.28; 8.02; 7.8 90; 93; 90 | 392.313 | Dzhafarov, G.G.; Mamedov, Kh.S.; Abdullaev, G.K. Crystal structure of the metaborates Sm (B O2)3 and Gd (B O2)3 Kristallografiya, 1975, 20, 265-269 |
1510941 | CIF | B3 Nd O6 | I 1 2/c 1 | 6.4; 8.08; 8.03 90; 94; 90 | 414.236 | Sil'nitskaya, G.B.; Medvedev, A.V.; Pakhomov, V.I.; Dzhurinskii, B.F. The crystal structure of neodymium metaborate Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1972, 8, 1259-1263 |
1510947 | CIF | B3 O6 Sm | I 1 2/c 1 | 6.33; 8.06; 7.85 90; 93; 90 | 399.957 | Mamedov, Kh.S.; Dzhafarov, G.G.; Abdullaev, G.K. Crystal structures of the metaborates Sm (B O2)3 and Gd (B O2)3 Kristallografiya, 1975, 20, 265-269 |
1517830 | CIF | C15 H12 Br N3 | I 1 2/c 1 | 7.3641; 5.6583; 31.688 90; 93.358; 90 | 1318.12 | Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions. Organic letters, 2014, 16, 5108-5111 |
1518419 | CIF | C25 H22 N2 O | I 1 2/c 1 | 17.688; 10.0067; 21.9732 90; 100.303; 90 | 3826.5 | Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence. Organic letters, 2014, 16, 6476-6479 |
1518541 | CIF | C36 H66 N4 O16 S4 | I 1 2/c 1 | 19.4827; 7.7013; 30.1416 90; 101.758; 90 | 4427.61 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
1520930 | CIF | C7 H10 Cu N6 Ni | I 1 2/c 1 | 16.815; 9.606; 21.252 90; 91.72; 90 | 3431.18 | Cernak, J.; Lipkowski, J. Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1999, 130, 1195-1206 |
1524371 | CIF | Ca Nb2 O8 Th | I 1 2/c 1 | 5.446; 11.207; 5.137 90; 94.7; 90 | 312.474 | Fonteneau, G.; l'Helgoualch, H.; Lucas, J. Les niobates Ca U Nb2 O8 et M Th Nb2 O8 (M= Ca, Sr, Cd). Etudes des transformations monoclinique - quadratique Materials Research Bulletin, 1977, 12, 25-34 |
1525401 | CIF | La Nb O4 | I 1 2/c 1 | 5.5735; 11.5418; 5.2159 90; 94.07; 90 | 334.683 | Tsunekawa, S.; Takei, H. Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals Physica Status Solidi, Sectio A: Applied Research, 1978, 50, 695-702 |
1525402 | CIF | Nb Nd O4 | I 1 2/c 1 | 5.4753; 11.2905; 5.1493 90; 94.578; 90 | 317.308 | Tsunekawa, S.; Takei, H. Twinning structure of ferroelastic La Nb O4 and Nd Nb O4 crystals Physica Status Solidi, Sectio A: Applied Research, 1978, 50, 695-702 |
1528708 | CIF | Eu K O8 W2 | I 1 2/c 1 | 8.1146; 10.4496; 7.5963 90; 94.349; 90 | 642.268 | Macalik, L.; Tomaszewski, P.E.; Lisiecki, R.; Hanuza, J. The crystal structure, vibrational and luminescence properties of the nanocrystalline K Eu (W O4)2 and K Gd (W O4)2:Eu(3+) obtained by the Pechini method Journal of Solid State Chemistry, 2008, 181, 2591-2600 |
1528830 | CIF | O7 P2 Zn2 | I 1 2/c 1 | 20.068; 8.259; 9.099 90; 106.35; 90 | 1447.1 | Robertson, B.E.; Calvo, C. Crystal structure of alpha Zn2 P2 O7 Journal of Solid State Chemistry, 1970, 1, 120-133 |
1528967 | CIF | La Nb O4 | I 1 2/c 1 | 5.5626; 11.519; 5.2013 90; 94.06; 90 | 332.44 | Vullum, F.; Nitsche, F.; Grande, T.; Selbach, S.M. Solid solubility and phase transitions in the system La Nb(1-x) Ta(x) O4 Journal of Solid State Chemistry, 2008, 181, 2580-2585 |
1528969 | CIF | F Mn2 O4 P | I 1 2/c 1 | 12.065; 6.454; 9.937 90; 107.09; 90 | 739.603 | Waldrop, L. Crystal structure of triplite Naturwissenschaften, 1968, 55, 178-178 |
1529511 | CIF | B3 La O6 | I 1 2/c 1 | 6.509; 8.172; 7.983 90; 93.43; 90 | 423.867 | Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G. The refined crystal structure of lanthanum metaborate La (B O2)3 Kristallografiya, 1981, 26, 837-840 |
1530378 | CIF | Cu6 Mo5 O18 | I 1 2/c 1 | 14.676; 6.28; 15.254 90; 101.78; 90 | 1376.28 | McCarron, E.M.; Calabrese, J.C. Hydrothermal synthesis and structure of (Cu(+))6 (Mo(6+))5 O18 Journal of Solid State Chemistry, 1986, 62, 64-74 |
1530601 | CIF | Nd2 O6 W | I 1 2/c 1 | 15.92; 11.39; 5.508 90; 92; 90 | 998.151 | Polyanskaya, T.M.; Borisov, S.V.; Belov, N.V. A new form of the Scheelite structural type: crystal structure of Nd2 W O6 Doklady Akademii Nauk SSSR, 1970, 193, 83-86 |
1535665 | CIF | Al2 Cl8 Ti | I 1 2/c 1 | 12.987; 7.708; 11.772 90; 92.58; 90 | 1177.23 | Troyanov, S.I. Crystal structure of titanium(II) chloroaluminates Ti(AlCl4)2 and refinement of AlCl3 crystal structure. Zhurnal Neorganicheskoi Khimii, 1992, 37, 266-272 |
1542037 | CIF | Ba Cl2 H2 O7 | I 1 2/c 1 | 8.916; 7.832; 9.425 90; 93.65; 90 | 656.814 | Sikka, S.K.; Momin, S.N.; Rajagopal, H.; Chidambaram, R. Neutron-diffraction Refinement of the Crystal Structure of Barium Chlorate Monohydrate Ba (Cl O3)2 H2 O Journal of Chemical Physics, 1968, 48, 1883-1890 |
1545629 | CIF | Ca F5 Ti | I 1 2/c 1 | 9.08; 6.614; 7.696 90; 115.16; 90 | 418.3 | Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry, 1984, 52, 12-21 |
1548138 | CIF | C39 H65 B Cu Mo N10 O2 S | i_1_2/c_1 | 22.477; 11.9547; 39.141 90; 92.546; 90 | 10507 | Gourlay, Craig; Nielsen, David John; Evans, David J.; White, Jonathan; Young, Charles Graham Models for Aerobic Carbon Monoxide Dehydrogenase: Synthesis, Characterization and Reactivity of Paramagnetic MoVO(μ-S)CuI Complexes Chemical Science, 2017 |
1548244 | CIF | C44 H28 N2 O12 Tb | I 1 2/c 1 | 14.9948; 15.5788; 35.0105 90; 94.405; 90 | 8154.3 | Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi Novel double layer lanthanide metal-organic networks for sensing applications. Dalton transactions (Cambridge, England : 2003), 2018, 47, 465-474 |
1548245 | CIF | C44 H28 Eu N2 O12 | I 1 2/c 1 | 15.0374; 15.5766; 35.0554 90; 94.951; 90 | 8180.4 | Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi Novel double layer lanthanide metal-organic networks for sensing applications. Dalton transactions (Cambridge, England : 2003), 2018, 47, 465-474 |
1553414 | CIF | C28 H20 O | I 1 2/c 1 | 21.71; 8.16; 24.855 90; 113.396; 90 | 4041 | Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching? Materials Chemistry Frontiers, 2017, 1, 1125 |
1555074 | CIF | C22 H15 Cl2 F3 | I 1 2/c 1 | 21.8668; 10.36934; 18.0539 90; 113.947; 90 | 3741.25 | Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V. TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes Organic Chemistry Frontiers, 2019, 6, 3264 |
1556746 | CIF | C20 H28 S3 Si2 | I 1 2/c 1 | 34.443; 6.7415; 10.1978 90; 96.889; 90 | 2350.8 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
1556953 | CIF HKL Paper | C24 H16 Cl4 | I 1 2/c 1 | 13.7822; 10.7752; 27.0787 90; 99.901; 90 | 3961.5 | Detert, Heiner; Schollmeyer, Dieter 5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate IUCrData, 2019, 4, x190236 |
1558107 | CIF | Bi O4 Sb | I 1 2/c 1 | 5.4518; 4.8784; 11.825 90; 101.11; 90 | 308.6 | Enjalbert, Renee; Sorokina, Svetlana; Castro, Alicia; Galy, Jean Comparison of Bismuth Stereochemistry in [BiO2]n and [Bi2O2]n Layers. Refinement of BiSbO4 Acta Chemica Scandinavica, 1995, 49, 813-819 |
1561828 | CIF | C24 H17 Br4 Co N4 O5 | I 1 2/c 1 | 20.4029; 17.331; 38.6793 90; 91.038; 90 | 13674.9 | Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties Journal of Solid State Chemistry, 2015, 229, 49-61 |
1562414 | CIF | C17 H15 N O4 S3 | I 1 2/c 1 | 19.992; 12.091; 30.161 90; 96.166; 90 | 7248 | Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions, 2021, 231, 97-111 |
1563855 | CIF HKL | C48 H58 Br Cu2 N10 O14 Tb | I 1 2/c 1 | 18.92; 15.464; 19.388 90; 101.707; 90 | 5554.5 | Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta, 2018, 483, 299-304 |
1564664 | CIF | C36 H52 N8 O4 Pu | I 1 2/c 1 | 17.55; 10.078; 21.29 90; 98.496; 90 | 3724.2 | Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J. Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand Chemical Science, 2021 |
1572225 | CIF | C24 H18 O6 | I 1 2/c 1 | 13.71; 8.846; 16.24 90; 93.51; 90 | 1966 | Biswas, Subir; Barman, Dipankar; Dutta, Priyanka; Gour, Nand K.; Lee, Seonghwan; Kim, Donguk; Park, Young-Bin; Bora, Tonmoy J.; Devi, Arpita; Khanam, Salma A.; Saikia, Lakshi; Karunakar, Galla V.; Zaki, Magdi E. A.; Bania, Kusum K. Ru-nanoparticles supported on zeolite-Y for ortho-benzylation of phenols and activation of H2O2 for selective synthesis of BINOLs Catalysis Science & Technology, 2024, 14, 5234-5256 |
1572429 | CIF | C38 H28 Fe2 N12 O8 Pd2 S4 | I 1 2/c 1 | 7.375; 21.731; 14.3104 90; 90.31; 90 | 2293.4 | Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit CO<sub>2</sub>-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer. Chemical science, 2024, 15, 15610-15616 |
2000318 | CIF Paper | C3 H11 Cl2 N2 O P Pt | I 1 2/c 1 | 17.696; 7.175; 17.155 90; 117.15; 90 | 1938.2 | Macíček, J.; Angelova, O.; Dodoff, N. Structure of <i>cis</i>-dichloro[methylphosphinylidenebis(methylamine-<i>N</i>,<i>N</i>')]platinum(II) hemihydrate Acta Crystallographica Section C, 1991, 47, 971-973 |
2001214 | CIF Paper | C38 H24 Au2 O12 P2 Ru4 | I 1 2/c 1 | 33.673; 12.275; 23.057 90; 97.828; 90 | 9441 | Adatia, T. Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~] Acta Crystallographica Section C, 1993, 49, 1926-1929 |
2002089 | CIF Paper | C55 H61 Cl2 F12 N O2 P6 Ru2 | I 1 2/c 1 | 28.325; 9.79; 23.042 90; 105.999; 90 | 6142 | Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A. [{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~ Acta Crystallographica Section C, 1993, 49, 142-144 |
2006295 | CIF Paper | C25 H24 O2 | I 1 2/c 1 | 15.46; 10.128; 12.68 90; 101.67; 90 | 1944.4 | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives Acta Crystallographica Section C, 1997, 53, 956-959 |
2006540 | CIF Paper | C30 H30 Cl2 Co N8 O2 | I 1 2/c 1 | 17.977; 11.819; 14.696 90; 90.775; 90 | 3122 | Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I. [6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2) Acta Crystallographica Section C, 1997, 53, 1238-1240 |
2006997 | CIF Paper | C7 H15 N5 Ni S2 | I 1 2/c 1 | 15.476; 6.649; 24.08 90; 93.42; 90 | 2473.4 | Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine Acta Crystallographica Section C, 1998, 54, 208-210 |
2007871 | CIF Paper | C H4.65 Al0.35 Co0.65 N O4 P | I 1 2/c 1 | 9.925; 9.472; 10.347 90; 91.26; 90 | 972.5 | Gainsford, Graeme J.; Morgan, Keith R.; Rae, A. David A Cobalt Aluminophosphate with Encapsulated Ethylenediamine: Co~0.65~Al~0.35~PO~4~.0.5NH~2.65~CH~2~CH~2~NH~2.65~ Acta Crystallographica Section C, 1998, 54, 1564-1566 |
2013456 | CIF HKL Paper | C13 H9 N O | I 1 2/c 1 | 12.027; 10.706; 31.76 90; 102.11; 90 | 3998 | Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F. 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole Acta Crystallographica Section C, 2003, 59, o516-o519 |
2013865 | CIF HKL Paper | C7 H8 N2 O4 S | I 1 2/c 1 | 15.8657; 7.2366; 16.4224 90; 110.304; 90 | 1768.36 | Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher Hydrogen bonding in C-substituted nitroanilines: a chain of <i>R</i>f̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline Acta Crystallographica Section C, 2004, 60, o84-o86 |
2014963 | CIF HKL Paper | Ba0.185 La0.815 Mn O3 | I 1 2/c 1 | 5.564; 5.51; 7.802 90; 90.18; 90 | 239.19 | Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii Monoclinic La~1{-~<i>x</i>}Ba~<i>x~</i>MnO~3~ (<i>x</i> = 0.185) at 160 K Acta Crystallographica Section C, 2005, 61, i83-i85 |
2020356 | CIF | Ba Br2 H2 O7 | I 1 2/c 1 | 9.0696; 7.8952; 9.6295 90; 93.26; 90 | 688.417 | Templeton, L.K.; Templeton, D.H. Structure of barium bromate monohydrate Acta Crystallographica C (39,1983-), 1989, 45, 672-673 |
2100551 | CIF HKL Paper | Cr2 O7 P2 | I 1 2/c 1 | 21.1392; 8.4073; 9.2788 90; 108.708; 90 | 1561.93 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
2100756 | CIF Paper | Ba H2 I2 O7 | I 1 2/c 1 | 9.048; 7.987; 9.911 90; 92.13; 90 | 715.7 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
2100757 | CIF Paper | Ba H2 I2 O7 | I 1 2/c 1 | 9.022; 7.937; 9.867 90; 92.18; 90 | 706 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
2100758 | CIF Paper | Cl2 H2 O7 Pb | I 1 2/c 1 | 8.811; 7.744; 9.131 90; 93.13; 90 | 622.1 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
2100759 | CIF Paper | Cl2 H2 O7 Pb | I 1 2/c 1 | 8.811; 7.744; 9.131 90; 93.13; 90 | 622.1 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
2100760 | CIF Paper | Cl2 H2 O7 Pb | I 1 2/c 1 | 8.755; 7.697; 9.13 90; 93.45; 90 | 614.13 | Kellersohn, T.; Lutz, H. D.; Vogt, T.; Delaplane, R. G.; Olovsson, I. Structural instabilities of the trigonally coordinated water molecules in Ba(IO~3~)~2~.H~2~O and Pb(ClO~3~)~2~.H~2~O studied by X-ray and neutron diffraction at 25 and 295 K Acta Crystallographica Section B, 1992, 48, 166-172 |
2100958 | CIF Paper | C12 H19 N5 O | I 1 2/c 1 | 15.57; 10.39; 17.383 90; 99.38; 90 | 2774.5 | Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B, 1993, 49, 547-559 |
2100960 | CIF Paper | C13 H19 N5 O | I 1 2/c 1 | 23.78; 9.162; 28.144 90; 111.47; 90 | 5706.3 | Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S. Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine Acta Crystallographica Section B, 1993, 49, 547-559 |
2100980 | CIF Paper | C42 H60 N12 O12 S2 | I 1 2/c 1 | 16.304; 20.321; 15.939 90; 102.25; 90 | 5161 | Caira, M. R.; Mohamed, R. Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds Acta Crystallographica Section B, 1993, 49, 760-768 |
2101357 | CIF Paper | C13 H8 Cl2 O | I 1 2/c 1 | 24.62; 6.091; 7.476 90; 100.14; 90 | 1103.6 | Zúñiga, F. J.; Criado, A. Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone Acta Crystallographica Section B, 1995, 51, 880-888 |
2103122 | CIF Paper | C8 H14 O3 | I 1 2/c 1 | 22.876; 6.224; 11.793 90; 95.56; 90 | 1671.2 | Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid. Acta Crystallographica, Section B, 2002, 58, 494-501 |
2104874 | CIF HKL Paper | As2 O7 Zn2 | I 1 2/c 1 | 20.5802; 8.436; 9.618 90; 106.564; 90 | 1600.53 | Weil, Matthias; Stöger, Berthold Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure Acta Crystallographica Section B, 2010, 66, 603-614 |
2105590 | CIF Paper | C13 H8 Cl2 O | I 1 2/c 1 | 24.527; 6.064; 7.457 90; 100.1; 90 | 1091.9 | Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V. Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone Acta Crystallographica Section B, 1999, 55, 799-806 |
2106268 | CIF | Ga2 O8 Si2 Sr | I 1 2/c 1 | 8.481; 13.142; 14.444 90; 115.48; 90 | 1453.3 | Calleri, M.; Gazzoni, G. Structures of (Sr, Ba) ((Al, Ga)2 (Si, Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 560-568 |
2106269 | CIF | Ba Ga2 O8 Si2 | I 1 2/c 1 | 8.727; 13.24; 14.608 90; 115; 90 | 1529.75 | Calleri, M.; Gazzoni, G. Structures of (Sr,Ba)((Al,Ga)2 (Si,Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 560-568 |
2106270 | CIF | Al2 Ba Ge2 O8 | I 1 2/c 1 | 8.799; 13.371; 14.727 90; 114.93; 90 | 1571.21 | Calleri, M.; Gazzoni, G. The structures of (Sr, Ba) (Al, Ga)2 (Si, Ge)2 O8. V. The crystal structure of the synthetic feldspar Ba Al2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3275-3282 |
2106363 | CIF | Li Nd O12 P4 | I 1 2/c 1 | 9.844; 7.008; 13.25 90; 90.1; 90 | 914.073 | Koizumi, H. An efficient laser material, lithium neodymium phosphate Li Nd P4 O12 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 266-268 |
2106371 | CIF | Ba Ga2 O8 Si2 | I 1 2/c 1 | 8.7262; 13.2117; 14.6001 90; 115.059; 90 | 1524.78 | Kroll, H.; Phillips, M.W.; Pentinghaus, H. The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 359-365 |
2106372 | CIF | Ba Ga2 Ge2 O8 | I 1 2/c 1 | 8.8931; 13.5248; 14.9076 90; 114.803; 90 | 1627.65 | Kroll, H.; Pentinghaus, H.; Phillips, M.W. The structures of the ordered sythetic feldspars Sr Ga2 Si2 O8 , Ba Ga2 Si2 O8 and Ba Ga2 Ge2 O8 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 359-365 |
2106751 | CIF | H3 K3 N O11.5 S3 | I 1 2/c 1 | 25.5873; 6.7771; 13.9694 90; 92.08; 90 | 2420.8 | Brown, G.M.; Strydom, O.A.W. Tripotassium hydroxylaminetrisulfonate sesquihydrate, neutron data Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1591-1594 |
2107398 | CIF | Cl3 Cs H4 Na2 O2 | I 1 2/c 1 | 13.6235; 5.8322; 10.7053 90; 91.26; 90 | 850.384 | Evans, H.T.jr.; Konnert, J.A.; Chou, I.M.; Romankiw, L.A. A Crystal Chemical Study of the System Cs Cl - Na Cl - H2 O; Structures of the Cs Cl Derivative Compounds Cs1-x (Na H2 O)x Cl, Cs Na2 Cl3 (H2 O)2, and Cs2 Ca Cl4 (H2 O)2 Acta Crystallographica B (39,1983-), 1984, 40, 86-92 |
2201348 | CIF HKL Paper | C20 H22 O6 | I 1 2/c 1 | 12.2304; 16.4299; 17.8325 90; 93.999; 90 | 3574.61 | Stomberg, Rolf; Langer, Vratislav; Hauteville, Marcelle 1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1,3-propanedione Acta Crystallographica Section E, 2002, 58, o1116-o1118 |
2217755 | CIF HKL Paper | C10 H8 Cl N O3 | I 1 2/c 1 | 18.266; 7.36; 14.821 90; 92.855; 90 | 1990 | De, Amitabha 5'-Chlorospiro[1,3-dioxolane-2,3'-indolin]-2'-one: a potential anticonvulsant Acta Crystallographica Section E, 2008, 64, o562 |
2243858 | CIF HKL Paper | C12 H16 Cl4 Cu N2 | I 1 2/c 1 | 15.2354; 8.3683; 12.8372 90; 99.205; 90 | 1615.59 | Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis Acta Crystallographica Section E, 2021, 77, 726-729 |
2243936 | CIF HKL | C24 H36 N4 O6 Si2 | I 1 2/c 1 | 12.9641; 16.8966; 13.1085 90; 101.198; 90 | 2816.7 | Böhme, Uwe; Schwarzer, Anke; Günther, Betty Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand Acta Crystallographica Section E, 2021, 77 |
2300259 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.68021; 15.2139; 6.53032 90; 118.484; 90 | 496.03 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography, 2009, 42, 1176-1188 |
2310552 | CIF | H20 Na4 O17 P2 | I 1 2/c 1 | 17.93; 6.96; 14.85 90; 118.52; 90 | 1628.29 | Cruickshank, D.W.J. Refinements of structures containing bonds between Si, P, S or Cl and O or N. Acta Crystallographica (1,1948-23,1967), 1964, 17, 672-673 |
2310787 | CIF | O7 P2 Zn2 | I 1 2/c 1 | 20.1131; 8.2769; 9.109 90; 106.338; 90 | 1455.2 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310875 | CIF | Ba Cl2 H2 O7 | I 1 2/c 1 | 8.86; 7.8; 9.35 90; 93.5; 90 | 644.955 | Kartha, G. Structure of barium chlorate monohydrate, Ba (Cl O3)2 H2 O Acta Crystallographica (1,1948-23,1967), 1952, 5, 845-846 |
2310920 | CIF | Al1.77 Ba0.8 K0.2 O8 Si2.23 | I 1 2/c 1 | 8.627; 13.045; 14.408 90; 115.22; 90 | 1466.9 | Newnham, R.E.; Megaw, H.D. The crystal structure of celsian (barium felspar) Acta Crystallographica (1,1948-23,1967), 1960, 13, 303-312 |
3000009 | CIF | C5 H10 N3 O4 P | I 1 2/c 1 | 16.0725; 7.7301; 14.6189 90; 96.8695; 90 | 1803.24 | Armel Le Bail; Lubomir Smrcok Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate Powder Diffraction, 2011, 26, 321 |
4034204 | CIF | C40 H0 F5 N2 O P S | I 1 2/c 1 | 22.3941; 13.4906; 22.8107 90; 113.221; 90 | 6333.1 | Kumar, Ankit; Thorat, Kishor G.; Sinha, Avisikta; Butcher, Ray J.; Ravikanth, Mangalampalli Meso-Fused Carbatriphyrins(2.1.1) and Its Organo Phosphorus(V) Complex. The Journal of organic chemistry, 2019, 84, 9067-9074 |
4035638 | CIF | C14 H11 N3 O | I 1 2/c 1 | 14.466; 7.833; 20.727 90; 98.549; 90 | 2322.5 | Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime 3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores. The Journal of organic chemistry, 2018, 83, 10887-10897 |
4038224 | CIF | C12 H13 Br2 N O4 | I 1 2/c 1 | 12.5491; 8.3129; 26.875 90; 102.001; 90 | 2742.3 | Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water. The Journal of organic chemistry, 2020 |
4038260 | CIF | C24 H18 N4 O4 | I 1 2/c 1 | 7.8057; 9.6433; 26.0047 90; 91.031; 90 | 1957.13 | Galenko, Ekaterina E.; Kryukova, Mariya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F. Synthesis of Bi-, Ter-, and Quaterpyridinecarboxylates via Propargylisoxazole-Pyridine Rearrangement. The Journal of organic chemistry, 2020, 85, 6109-6122 |
4082050 | CIF | C30 H44 Cl2 N4 O10 | I 1 2/c 1 | 16.6444; 9.93793; 21.1486 90; 93.1009; 90 | 3493.09 | Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes Organometallics, 2013, 32, 6613 |
4085227 | CIF | C29 H27 Cl3 F2 Ir N5 | I 1 2/c 1 | 21.13; 13.37; 21.589 90; 110.524; 90 | 5712 | Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H. Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity Organometallics, 2015, 34, 2326 |
4087158 | CIF | C14 H36 Fe O P2 Si2 | I 1 2/c 1 | 15.508; 9.75868; 15.9993 90; 117.934; 90 | 2139.19 | Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R. Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity Organometallics, 2017, 36, 605 |
4119058 | CIF | C55 H48 F3 N O4 P2 Pd S | I 1 2/c 1 | 28.679; 15.9767; 22.2674 90; 91.8471; 90 | 10197.5 | Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines Journal of the American Chemical Society, 2012, 134, 20613-20616 |
4125239 | CIF | C20 H12 F6 N4 | I 1 2/c 1 | 13.35; 10.0002; 27.9606 90; 98.304; 90 | 3693.68 | Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend. Journal of the American Chemical Society, 2016, 138, 12803-12812 |
4129108 | CIF | C50 H47 N5 | I 1 2/c 1 | 20.739; 12.7534; 32.675 90; 96.259; 90 | 8590.8 | Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin Singly and Doubly Neo-Confused Smaragdyrins. Journal of the American Chemical Society, 2019, 141, 18836-18844 |
4129269 | CIF | C46 H96 Fe2 N2 P8 | I 1 2/c 1 | 21.0545; 10.0187; 26.9455 90; 107.922; 90 | 5408 | Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent. Journal of the American Chemical Society, 2014, 136, 14560-14569 |
4341979 | CIF | C38.25 H42.25 N7.75 O16.75 Zn3 | I 1 2/c 1 | 21.7672; 19.633; 29.4028 90; 99.478; 90 | 12393.9 | Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations. Inorganic chemistry, 2015, 54, 586-595 |
4342903 | CIF | C26 H26 F3 N2 O3.5 S Te | I 1 2/c 1 | 14.3566; 10.5736; 35.4072 90; 92.06; 90 | 5371.4 | Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L. Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf. Inorganic chemistry, 2015, 54, 4934-4939 |
4347558 | CIF | C12 H10 F10 N2 O2 | I 1 2/c 1 | 13.329; 6.542; 17.975 90; 94.41; 90 | 1562.7 | Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S. Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films. Inorganic chemistry, 2016, 55, 5422-5429 |
4505344 | CIF | C22 H16 Cl2 Hg Mn N6 | I 1 2/c 1 | 16.0707; 9.014; 16.252 90; 90.127; 90 | 2354.3 | Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B. Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations Crystal Growth & Design, 2004, 4, 621 |
4510511 | CIF | C11 H12 Br N3 S2 | I 1 2/c 1 | 23.7103; 4.45641; 25.3321 90; 95.947; 90 | 2662.26 | Phukan, Nithi; Baruah, Jubaraj B. Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers Crystal Growth & Design, 2014, 14, 2640 |
4512563 | CIF | O5 Ti3 | I 1 2/c 1 | 9.9695; 5.0739; 7.1817 90; 109.863; 90 | 341.67 | Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway Crystal Growth & Design, 2015, 15, 653 |
4514233 | CIF | C30 H32 Fe N P S | I 1 2/c 1 | 15.7631; 9.2957; 35.3175 90; 95.742; 90 | 5149.07 | Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration ACS Catalysis, 2017, 7, 7709 |
4514719 | CIF | C18 H10 Cl2 N2 S | I 1 2/c 1 | 18.9763; 13.5616; 24.1428 90; 95.348; 90 | 6186.1 | Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V. Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis ACS Catalysis, 2019, 9, 4015 |
4516079 | CIF | C10 H13 Cl N4 O | I 1 2/c 1 | 13.8204; 7.1084; 24.264 90; 105.34; 90 | 2298.8 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
4516850 | CIF | C56 H52 B2 Cu F8 N4 O4 | I 1 2/c 1 | 16.8731; 13.9085; 21.1754 90; 93.668; 90 | 4959.3 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4516851 | CIF | C14 H13 N O | I 1 2/c 1 | 12.1035; 7.5373; 24.9505 90; 102.083; 90 | 2225.75 | Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles. ACS omega, 2017, 2, 1380-1391 |
4517381 | CIF | C24 Al2 N4 O12 | I 1 2/c 1 | 24.7458; 5.635; 7.0259 90; 90.501; 90 | 979.672 | Liang, Jie; Li, Xiaohang; Xi, Rubing; Shan, Guangcun; Li, Pei-Zhou; Liu, Jia; Zhao, Yanli; Zou, Ruqiang A Robust Aluminum Metal-Organic Framework with Temperature-Induced Breathing Effect ACS Materials Letters, 2020, 220 |
4517631 | CIF | C24 H22 Cu I N3 O3 | I 1 2/c 1 | 18.18; 11.85; 24.082 90; 109.299; 90 | 4896.5 | Khatua, Sajal; Biswas, Protap Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study. ACS applied materials & interfaces, 2020 |
4517745 | CIF | C18 H17 N5 O2 | I 1 2/c 1 | 9.6089; 10.2089; 32.7406 90; 95.922; 90 | 3194.59 | Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander Scaffolding-induced property modulation of chemical space. ACS combinatorial science, 2020 |
4518230 | CIF | C72 H60 Cu4 I4 P4 | I 1 2/c 1 | 18.3661; 16.0719; 27.117 90; 108.602; 90 | 7586.2 | Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction. ACS omega, 2020, 5, 30148-30159 |
5000039 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.67; 15.201; 6.533 90; 118.6; 90 | 494.4 | Cole, W. F.; Lancucki, C. J. A refinement of the crystal structure of gypsum CaSO~4~.2H~2~O Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1974, 30, 921-929 |
5000185 | CIF | C18 H12 | I 1 2/c 1 | 8.386; 6.196; 25.203 90; 116.2; 90 | 1175 | Burns, D. M.; Iball, J. Refinement of the Structure of Chrysene Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 1960, 257, 491-514 |
7027363 | CIF | C13 H20 N11 O12 Tb | I 1 2/c 1 | 9.354; 29.4; 9.836 90; 112.516; 90 | 2499 | Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L. Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides Journal of the Chemical Society, Dalton Transactions, 1999, 2433 |
7027364 | CIF | C13 H20 N11 O12 Sm | I 1 2/c 1 | 9.353; 29.59; 9.889 90; 112.946; 90 | 2520 | Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L. Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides Journal of the Chemical Society, Dalton Transactions, 1999, 2433 |
7027365 | CIF | C13 H20 N11 Nd O12 | I 1 2/c 1 | 9.326; 29.71; 9.895 90; 113.03; 90 | 2523 | Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L. Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides Journal of the Chemical Society, Dalton Transactions, 1999, 2433 |
7034932 | CIF | C48 H42 N8 O10 | I 1 2/c 1 | 16.7671; 18.6175; 28.0023 90; 102.197; 90 | 8543.9 | Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 15220-15231 |
7039380 | CIF | C44 H71 N10 Ni2 O14 Pr S4 | I 1 2/c 1 | 19.393; 13.171; 22.966 90; 95.69; 90 | 5837.2 | Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U. 2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10771-10779 |
7041586 | CIF | C18 H20 Cl Cu N4 S2 | I 1 2/c 1 | 13.5161; 10.4367; 28.1083 90; 92.378; 90 | 3961.6 | Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P. Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1324-1339 |
7041667 | CIF | C47 H41 Cl2 Co N6 O4 | I 1 2/c 1 | 21.884; 17.122; 23.362 90; 103.18; 90 | 8523 | Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1951-1964 |
7042561 | CIF | C77 H62 Y2 | I 1 2/c 1 | 12.6353; 22.9872; 19.9472 90; 103.266; 90 | 5639.1 | Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5326-5336 |
7046324 | CIF | C57 H60 B F15 N4 | I 1 2/c 1 | 23.1811; 11.0911; 43.6034 90; 92.608; 90 | 11199 | Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2018, 47, 7445-7455 |
7047522 | CIF | C33 H47 N5 O18 Zn | I 1 2/c 1 | 18.5144; 13.2579; 18.8316 90; 105.277; 90 | 4459.1 | Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies. Dalton transactions (Cambridge, England : 2003), 2018, 47, 14686-14695 |
7048299 | CIF | La Nb0.88 O4 W0.12 | I 1 2/c 1 | 5.41306; 11.64322; 5.29631 90; 91.5403; 90 | 333.682 | Li, Cheng; Pramana, Stevin S.; Skinner, Stephen J. Room temperature structure and transport properties of the incommensurate modulated LaNb<sub>0.88</sub>W<sub>0.12</sub>O<sub>4.06</sub>. Dalton transactions (Cambridge, England : 2003), 2019, 48, 1633-1646 |
7049206 | CIF | C74 H54 N4 O2 Pt2 | I 1 2/c 1 | 18.5883; 11.8497; 26.2885 90; 104.291; 90 | 5611.3 | Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng 1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence. Dalton transactions (Cambridge, England : 2003), 2019, 48, 4420-4428 |
7055159 | CIF | C42 H43 N O6 S4 | I 1 2/c 1 | 19.8323; 10.8754; 37.256 90; 101.47; 90 | 7875 | Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P. Arylation of thiacalix[4]arenes using organomercurial intermediates New J. Chem., 2016, 40, 1104 |
7055585 | CIF | C20 H12 O4 Pb | I 1 2/c 1 | 7.7028; 5.3856; 35.9661 90; 95.458; 90 | 1485.26 | Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands New J. Chem., 2016, 40, 6867 |
7055586 | CIF | C25 H23 N O5 Pb | I 1 2/c 1 | 16.734; 8.002; 34.8764 90; 101.383; 90 | 4578.3 | Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands New J. Chem., 2016, 40, 6867 |
7055613 | CIF | C16 H18 N4 S2 | I 1 2/c 1 | 13.4747; 9.6657; 13.4889 90; 105.678; 90 | 1691.5 | Phukan, Nithi; Baruah, Jubaraj B. Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine New J. Chem., 2016, 40, 6899 |
7057426 | CIF | C14 H18 N2 O2 | I 1 2/c 1 | 20.2808; 5.2993; 24.3454 90; 98.356; 90 | 2588.7 | Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu. Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions New Journal of Chemistry, 2018 |
7059121 | CIF | C10 H8 N6 O4 Sn | I 1 2/c 1 | 11.9805; 9.1305; 12.6134 90; 116.631; 90 | 1233.4 | Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes New Journal of Chemistry, 2018, 42, 17513 |
7059994 | CIF | C25 H20 Co1.5 N5 O8 | I 1 2/c 1 | 15.0379; 13.8407; 26.5035 90; 101.131; 90 | 5412.5 | Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations New Journal of Chemistry, 2020, 44, 17821-17830 |
7059996 | CIF | C25 H20 N5 Ni1.5 O8 | I 1 2/c 1 | 15.2474; 13.5792; 26.1965 90; 100.068; 90 | 5340.4 | Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations New Journal of Chemistry, 2020, 44, 17821-17830 |
7059997 | CIF | C25 H20 Mn1.5 N5 O8 | I 1 2/c 1 | 15.006; 14.1267; 26.9845 90; 102.14; 90 | 5592.4 | Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations New Journal of Chemistry, 2020, 44, 17821-17830 |
7060088 | CIF | C54 H46 F2 Li2 N4 O7 | I 1 2/c 1 | 19.4525; 6.6516; 35.989 90; 98.923; 90 | 4600.3 | Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro New Journal of Chemistry, 2021, 45, 45-52 |
7061068 | CIF | C114 H108 Al Cl4 N64 O53 | I 1 2/c 1 | 28.162; 22.226; 28.39 90; 90.21; 90 | 17770 | Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe New Journal of Chemistry, 2022, 46, 97-102 |
7061464 | CIF | C19 H12 Cl N S | I 1 2/c 1 | 25.36; 7.5833; 33.138 90; 110.162; 90 | 5982.3 | Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions New Journal of Chemistry, 2022, 46, 10256-10263 |
7063322 | CIF | Ag7 B9 H2 O18 | I 1 2/c 1 | 8.826; 8.825; 20.483 90; 100.22; 90 | 1570.1 | Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions New Journal of Chemistry, 2024, 48, 13805-13813 |
7108501 | CIF | C44 H46 O10 S4 | I 1 2/c 1 | 19.1198; 11.603; 19.1943 90; 102.023; 90 | 4164.8 | Louis J. Farrugia; James H. Gall; David D. MacNicol 1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests Chem.Commun., 2012, 48, 10600 |
7111938 | CIF | C80 H68 F12 N20 O12 Pb2 S4 | I 1 2/c 1 | 23.4956; 11.8708; 31.4169 90; 98.953; 90 | 8655.8 | Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection Chem.Commun., 2014, 50, 2621 |
7118242 | CIF | C40 H24 In N2 O8 | I 1 2/c 1 | 26.9793; 21.3293; 26.4721 90; 97.001; 90 | 15119.8 | Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun The dynamic response of a flexible indium based metal-organic framework to gas sorption. Chemical communications (Cambridge, England), 2016, 52, 2277-2280 |
7123295 | CIF | C15 H26 Br2 N2 O4 | I 1 2/c 1 | 21.061; 6.7995; 26.557 90; 94.682; 90 | 3790.4 | Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production Chemical Communications, 2019 |
7125343 | CIF | C44 H60 N2 O2 | I 1 2/c 1 | 13.5259; 9.785; 29.268 90; 95.506; 90 | 3855.8 | Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks. Chemical communications (Cambridge, England), 2018, 54, 11998-12001 |
7126939 | CIF | C38 H44 Br2 N2 S2 Sn | I 1 2/c 1 | 18.204; 9.6686; 22.537 90; 112.803; 90 | 3656.7 | Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne Aggregation induced emission - emissive stannoles in the solid state. Chemical communications (Cambridge, England), 2020, 56, 9775-9778 |
7129650 | CIF | C36 H24 Cd Cl2 N2 O4 | I 1 2/c 1 | 17.3731; 11.8564; 32.707 90; 97.366; 90 | 6681.5 | Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements Chemical Communications, 2022 |
7129776 | CIF | C24 H88 B14 K2 N4 O12 | I 1 2/c 1 | 16.5487; 9.1479; 34.5522 90; 95.294; 90 | 5208.4 | Chen, Xi-Meng; Jia, Si-Han; Kang, Jiaxin; Zhang, Yichun; Ma, Yubin; Ma, Yi-ming; Jiang, Xin; Yu, Xing-Chao; Qiu, Pengtao; Chen, Xuenian Synthesis of K[B3H7NH2BH2NH2B3H7] for K-ion solid-state electrolyte Chemical Communications, 2022 |
7129918 | CIF | C54 H140 Cu2 Ge18 N4 Si16 | I 1 2/c 1 | 16.654; 27.2393; 27.6288 90; 103.416; 90 | 12191.6 | Wallach, Chistoph; Klein, Wilhelm; Fässler, Thomas F Oxidative Coupling of Silylated Nonagermanide Clusters Chemical Communications, 2022 |
7156471 | CIF | C18 H17 N O | I 1 2/c 1 | 22.0489; 15.0516; 18.1612 90; 108.711; 90 | 5708.6 | Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min New Friedel-Crafts strategy for preparing 3-acylindoles. Organic & biomolecular chemistry, 2018, 16, 7792-7796 |
7158677 | CIF | C27 H23 N3 O3 S | I 1 2/c 1 | 17.402; 11.109; 25.127 90; 101.82; 90 | 4755 | Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles Organic & Biomolecular Chemistry, 2022 |
7209314 | CIF | Ag Au Cl4 | I 1 2/c 1 | 13.223; 4.101; 13.089 90; 122.72; 90 | 597.157 | Straehle, J.; Werner, W. Die Kristallstruktur des Silbertetrachloroaurats(III) Ag Au Cl4 und seine kristallchemische Verwandtschaft zum Rubidiumtetrachloro- Aurat(III) Rb Au Cl4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 741-744 |
7213200 | CIF | C60 H80 N4 O6 | I 1 2/c 1 | 22.32; 21.09; 22.89 90; 94.583; 90 | 10741 | Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors Journal of the Chemical Society, Perkin Transactions 2, 2000, 511 |
7218880 | CIF | C21 H25 N3 O | I 1 2/c 1 | 21.2119; 7.8518; 23.5414 90; 95.42; 90 | 3903.3 | Mondal, Biplab; Kalita, Aswini; Kumar, Vikash C-nitrosation of a -diketiminate ligand in copper(II) complex RSC Adv., 2014 |
7220537 | CIF | C22 H22 O5 S2 | I 1 2/c 1 | 16.4871; 12.8345; 21.2978 90; 112.389; 90 | 4167 | Wang, Shu-Wen; Guo, Wei-Si; Wen, Li-Rong; Li, Ming Yb(OTf)3 catalyzed [3+2] annulations of D−A cyclopropanes with β-oxodithioesters:a regioselective synthesis of tetrahydrothiophenes RSC Adv., 2015 |
7221722 | CIF | C60 H66 Cl N9 Ni2 O16 | I 1 2/c 1 | 27.0155; 13.565; 36.028 90; 97.0327; 90 | 13103.7 | Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E. Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects CrystEngComm, 2015, 17, 6753 |
7223955 | CIF | C15 H11 N3 | I 1 2/c 1 | 24.392; 4.019; 24.609 90; 105.47; 90 | 2325.1 | Chen, Baohua; Tang, Dong; Wang, Jing; Wu, Ping; Guo, Xin; Li, Jihui; Yang, Sen Synthesis of 1,2,4-Triazine Derivatives via [4+2] Domino Annulations Reactions in Onepot RSC Adv., 2016 |
7229364 | CIF | C28 H30 Cd N2 O13 | I 1 2/c 1 | 12.784; 13.024; 16.815 90; 91; 90 | 2799.3 | Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker CrystEngComm, 2017 |
7229375 | CIF | C7 H6 Cu N6 O7 | I 1 2/c 1 | 11.66; 11.62; 18.53 90; 102.62; 90 | 2450 | Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties CrystEngComm, 2017 |
7230359 | CIF | C60 H20 Cd N4 O24 | I 1 2/c 1 | 18.5534; 22.8539; 20.0964 90; 107.354; 90 | 8133.3 | Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore CrystEngComm, 2018, 20, 2430 |
7231735 | CIF | C12 H10 Mg O5 S | I 1 2/c 1 | 5.9689; 18.6102; 11.605 90; 94.291; 90 | 1285.5 | Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol CrystEngComm, 2018, 20, 7513 |
7236017 | CIF | C30 H26 B Cu F4 N6 | I 1 2/c 1 | 24.8641; 6.0228; 18.6609 90; 97.811; 90 | 2768.6 | Qiu, Ran; Luo, Hai Copper(i)‒triazole dimer formation and rate acceleration in in-source click reaction RSC Advances, 2015, 5, 96213 |
7236188 | CIF | C12 H12 Cu N2 O6 S | I 1 2/c 1 | 7.0081; 13.8198; 14.2897 90; 99.282; 90 | 1365.84 | Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties RSC Advances, 2016, 6, 46030 |
7239726 | CIF | C34 H24 Br2 Co2 N6 O8 | I 1 2/c 1 | 32.816; 9.466; 33.049 90; 118.73; 90 | 9002 | Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene CrystEngComm, 2020, 22, 811-820 |
7239982 | CIF | C32 H24 Cd N2 O12 S2 | I 1 2/c 1 | 13.5349; 8.6599; 26.4575 90; 95.607; 90 | 3086.3 | Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture CrystEngComm, 2020 |
7240816 | CIF | C13 H9 Cl2 N O | I 1 2/c 1 | 6.14; 6.848; 27.39 90; 95.26; 90 | 1146.8 | Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers CrystEngComm, 2020 |
7241684 | CIF | C41 H28 Cd N7 O9 | I 1 2/c 1 | 34.01; 9.0351; 38.6788 90; 115.365; 90 | 10739.6 | Li, Jingyang; He, Ying; Wang, Li; Li, Guanghua; Zou, Yongcun; Yan, Yan; Li, Dandan; Shi, Xinli; Song, Zhiguang; Shi, Xiaodong Construction of fluorescence active MOFs with symmetrical and conformationally rigid N-2-aryl-triazole ligands RSC Advances, 2020, 10, 41921-41925 |
7247065 | CIF | C25 H21 F N4 O4 | I 1 2/c 1 | 21.5323; 6.9303; 29.2911 90; 93.555; 90 | 4362.56 | Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7) RSC Advances, 2023, 13, 21820-21837 |
7701526 | CIF | C16 H18 Co N10 O8 | I 1 2/c 1 | 15.2228; 10.2158; 14.4221 90; 110.266; 90 | 2103.98 | Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis. Dalton transactions (Cambridge, England : 2003), 2019, 48, 10526-10536 |
7701696 | CIF | C22 H28 Cl2 Hf Si | I 1 2/c 1 | 15.482; 10.3037; 27.306 90; 104.261; 90 | 4221.67 | Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers. Dalton transactions (Cambridge, England : 2003), 2019, 48, 2510-2520 |
7702063 | CIF | C44 H54 Br4 Co4 N4 O17 | I 1 2/c 1 | 17.1056; 11.7616; 27.3199 90; 104.388; 90 | 5324.1 | Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10233-10248 |
7702195 | CIF | C32 H32 B4 Br4 Co2 F12 N8 O4 | I 1 2/c 1 | 15.3342; 17.0365; 20.3884 90; 111.213; 90 | 4965.39 | Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential. Dalton transactions (Cambridge, England : 2003), 2018, 47, 11749-11759 |
7702197 | CIF | C32 H32 B4 Cl4 Co2 F12 N8 O4 | I 1 2/c 1 | 15.1883; 16.7251; 20.209 90; 110.296; 90 | 4814.9 | Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential. Dalton transactions (Cambridge, England : 2003), 2018, 47, 11749-11759 |
7702218 | CIF | C68 H44 Cd3 N6 O15 | I 1 2/c 1 | 31.7768; 10.3456; 35.2605 90; 102.63; 90 | 11311.4 | Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M. A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties. Dalton transactions (Cambridge, England : 2003), 2018, 47, 14327-14339 |
7702244 | CIF | C52 H50 Cl3 Dy N4 O7 | I 1 2/c 1 | 21.865; 9.516; 27.182 90; 106.251; 90 | 5430 | Yu, Shui; Chen, Zilu; Hu, Huancheng; Li, Bo; Liang, Yuning; Liu, Dongcheng; Zou, Huahong; Yao, Di; Liang, Fupei Two mononuclear dysprosium(iii) complexes with their slow magnetic relaxation behaviors tuned by coordination geometry. Dalton transactions (Cambridge, England : 2003), 2019, 48, 16679-16686 |
7704884 | CIF | C20 H20 N6 O2 | I 1 2/c 1 | 15.5025; 10.4734; 11.3532 90; 93.231; 90 | 1840.4 | Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence. Dalton transactions (Cambridge, England : 2003), 2020, 49, 10463-10476 |
7706304 | CIF | C23 H23 Eu N4 O11 | I 1 2/c 1 | 16.423; 11.4174; 34.1386 90; 102.649; 90 | 6245.9 | Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480 |
7706306 | CIF | C23 H23 N4 Nd O11 | I 1 2/c 1 | 16.5848; 11.528; 33.9909 90; 102.198; 90 | 6352 | Wang, Xiaokang; Wang, Yutong; Wang, Xia; Lu, Kebin; Jiang, Weifeng; Cui, Pei-Pei; Hao, Hongguo; Dai, Fangna Two series of Ln-MOFs by solvent induced self-assembly demonstrating the rapid selective sensing of Mg<sup>2+</sup> and Fe<sup>3+</sup> cations. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15473-15480 |
7711699 | CIF | C52 H82 Dy2 N12 O28 | I 1 2/c 1 | 20.4197; 15.2284; 24.1517 90; 108.776; 90 | 7110.5 | Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid Dalton Transactions, 2022 |
7712618 | CIF | C20 H12 N2 | I 1 2/c 1 | 8.774; 9.536; 18.164 90; 97.18; 90 | 1507.8 | Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng Conductance of <i>o</i>-carborane-based wires with different substitution patterns. Dalton transactions (Cambridge, England : 2003), 2023 |
7712808 | CIF | C15 H35 Cl Co P3 Si | I 1 2/c 1 | 27.1266; 12.8624; 12.9099 90; 92.062; 90 | 4501.52 | Fan, Qingqing; Du, Xinyu; Yang, Wenjing; Li, Qingshuang; Huang, Wei; Sun, Hongjian; Hinz, Alexander; Li, Xiaoyan Effects of silylene ligands on performance of carbonyl hydrosilylation catalyzed by cobalt phosphine complexes Dalton Transactions, 2023 |
7713748 | CIF | C54 H34 Eu F9 N2 O6 | I 1 2/c 1 | 23.441; 13.85; 34.65 90; 90.12; 90 | 11249 | Ilmi, Rashid; Li, Xiaofang; Al Rasbi, Nawal K.; Zhou, Liang; Wong, Wai-Yeung Raymond; Raithby, Paul R.; Khan, Muhammad S. Two new red emitting ternary europium(III) complexes with high photoluminescence quantum yields and exceptional performance in OLED devices Dalton Transactions, 2023 |
7716489 | CIF | C9 H8 Cd0.5 N2.5 O2 | I 1 2/c 1 | 14.7069; 16.6281; 15.3169 90; 97.091; 90 | 3717.06 | Pajuelo-Corral, Oier; Ortiz-Gómez, Inmaculada; García, Jose Angel; Rodríguez-Diéguez, Antonio; Vitórica-Yrezábal, Iñigo J; Salinas-Castillo, Alfonso; Seco, Jose M.; Cepeda, Javier A family of Cd(II) coordination polymers constructed from 6-aminopicolinate and bipyridyl co-linkers: study of their growth in paper and photoluminescence sensing of Fe<sup>3+</sup> and Zn<sup>2+</sup> ions. Dalton transactions (Cambridge, England : 2003), 2024, 53, 12138-12151 |
7716517 | CIF | C20 H25 Cl2 N5 O2 Pd S | I 1 2/c 1 | 13.9557; 15.1993; 24.0558 90; 102.43; 90 | 4983 | Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B. Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization? Dalton transactions (Cambridge, England : 2003), 2024, 53, 12349-12369 |
8103425 | CIF | Au Cl4 Rb | I 1 2/c 1 | 9.76; 5.902; 14.116 90; 120.05; 90 | 703.837 | Straehle, J.; Baernighausen, H. Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 471-472 |
8103630 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.6749; 15.1427; 6.5091 90; 118.491; 90 | 491.607 | Schofield, P.F.; Stretton, I.C.; Knight, K.S.; Wilson, C.C. Temperature related structural variation of the hydrous components in gypsum Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 707-710 |
8103972 | CIF | Ca H4 O10 P2 Zn2 | I 1 2/c 1 | 17.186; 7.413; 6.663 90; 95.39; 90 | 845.112 | Taxer, K.J.; Bartl, H. Die "geordnete gemittelte" Kristallstruktur von Parascholzit. Zur Dimorphie von Ca Zn2 (P O4)2 . 2(H2 O), Parascholzit-Scholzit. Zeitschrift fuer Kristallographie (149,1979-), 1997, 212, 197-202 |
8104437 | CIF | C4 Co K O4 | I 1 2/c 1 | 14.271; 5.688; 17.632 90; 94.15; 90 | 1427.5 | Kluefers, P. Die Kristallstrukturen von K Co (C O)4 und Rb Co (C O)4 Zeitschrift fuer Kristallographie (149,1979-), 1984, 167, 253-260 |
8104438 | CIF | C4 Co O4 Rb | I 1 2/c 1 | 14.621; 5.746; 18.22 90; 93.92; 90 | 1527.12 | Kluefers, P. Die Kristallstrukturen von K Co (C O)4 und Rb Co (C O)4 Zeitschrift fuer Kristallographie (149,1979-), 1984, 167, 253-260 |
8106035 | CIF | C52 H42 Cu N4 O4 | I 1 2/c 1 | 21.8573; 5.8605; 33.683 90; 97.428; 90 | 4278.4 | Li, Jing; Yu, Bin; Jia, Hao-Ran; Sun, Yin-Xia Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2 O,N)copper(II), C52H42CuN4O4 Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 33-35 |
9000405 | CIF | Al4 H3 O15 P3 | I 1 2/c 1 | 18.894; 7.161; 7.162 90; 99.99; 90 | 954.326 | Moore, P. B.; Araki, T. Trolleite, Al4(OH)3[PO4]3: A very dense structure with octahedral face-sharing dimers American Mineralogist, 1974, 59, 974-984 |
9000433 | CIF | Al2 O8 Si2 Sr | I 1 2/c 1 | 8.388; 12.974; 14.264 90; 115.2; 90 | 1404.56 | Chiari, G.; Calleri, M.; Bruno, E.; Ribbe, P. H. The structure of partially disordered, synthetic strontium feldspar American Mineralogist, 1975, 60, 111-119 |
9000508 | CIF | Al2 Ba O8 Si2 | I 1 2/c 1 | 8.622; 13.078; 14.411 90; 115.1; 90 | 1471.52 | Griffen, D. T.; Ribbe, P. H. Refinement of the crystal structure of celsian American Mineralogist, 1976, 61, 414-418 |
9001784 | CIF | Al2 O8 Pb0.5 Si2 | I 1 2/c 1 | 8.388; 13.067; 14.327 90; 115.19; 90 | 1420.99 | Benna, P.; Tribaudino, M.; Bruno, E. The structure of ordered and disordered lead feldspar (PbAl2Si2O8) Sample: ordered American Mineralogist, 1996, 81, 1337-1343 |
9001893 | CIF | Al2 O8 Pb Si2 | I 1 2/c 1 | 8.395; 13.081; 14.343 90; 115.27; 90 | 1424.35 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, single Pb site American Mineralogist, 1998, 83, 159-166 |
9001894 | CIF | Al O4 Pb0.5 Si | I 1 2/c 1 | 8.395; 13.081; 14.343 90; 115.27; 90 | 1424.35 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, split Pb site American Mineralogist, 1998, 83, 159-166 |
9001895 | CIF | Al2 O8 Pb Si2 | I 1 2/c 1 | 8.399; 13.061; 14.334 90; 115.28; 90 | 1421.84 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L16h, single Pb site American Mineralogist, 1998, 83, 159-166 |
9001896 | CIF | Al O4 Pb0.5 Si | I 1 2/c 1 | 8.399; 13.061; 14.334 90; 115.28; 90 | 1421.84 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L16h, split Pb site American Mineralogist, 1998, 83, 159-166 |
9001897 | CIF | Al2 O8 Pb Si2 | I 1 2/c 1 | 8.405; 13.063; 14.344 90; 115.29; 90 | 1423.95 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L64h, single Pb site American Mineralogist, 1998, 83, 159-166 |
9001898 | CIF | Al O4 Pb0.5 Si | I 1 2/c 1 | 8.405; 13.063; 14.344 90; 115.29; 90 | 1423.95 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L64h, split Pb site American Mineralogist, 1998, 83, 159-166 |
9001899 | CIF | Al2 O8 Pb Si2 | I 1 2/c 1 | 8.418; 13.076; 14.365 90; 115.28; 90 | 1429.78 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_H136h, single Pb site American Mineralogist, 1998, 83, 159-166 |
9001900 | CIF | Al O4 Pb0.5 Si | I 1 2/c 1 | 8.418; 13.076; 14.365 90; 115.28; 90 | 1429.78 | Tribaudino, M.; Benna, P.; Bruno, E. Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_H136h, split Pb site American Mineralogist, 1998, 83, 159-166 |
9002003 | CIF | Al1.16 O8 Pb Si2.84 | I 1 2/c 1 | 8.402; 13.043; 14.308 90; 115.3; 90 | 1417.58 | Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 20 C, single Pb atom model American Mineralogist, 1999, 84, 120-129 |
9002004 | CIF | Al1.16 O8 Pb Si2.84 | I 1 2/c 1 | 8.422; 13.045; 14.31 90; 115.34; 90 | 1420.9 | Benna, P.; Tribaudino, M.; Bruno, E. High-temperature in situ structural investigation on lead feldspar Sample at T = 230 C, single Pb atom model American Mineralogist, 1999, 84, 120-129 |
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