Crystallography Open Database
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Searching space group like 'P n n a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1004072 | CIF | Br4 In K | P n n a | 7.891; 10.39; 10.39 90; 90; 90 | 851.9 | Wignacourt, J P; Mairesse, G; Abraham, F Potassium Tetrabromoindate(III), K (In Br~4~) Acta Crystallographica C (39,1983-), 1984, 40, 2006-2007 |
| 1005032 | CIF | Ba3 Ga2 N4 | P n n a | 6.201; 10.511; 10.07 90; 90; 90 | 656.3 | Yamane, H; DiSalvo, F J Ba3 Ga2 N4 Acta Crystallographica C (39,1983-), 1996, 52, 760-761 |
| 1010809 | CIF | B Mn | P n n a | 2.95; 11.5; 4.1 90; 90; 90 | 139.1 | Hocart, R; Fallot, M Structure et proprietes magnetiques du borure de manganese Mn B. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1936, 203, 1062-1064 |
| 1508059 | CIF | C21 H20 Cl Mn N4 O9 Re | P n n a | 9.489; 26.246; 9.898 90; 90; 90 | 2465.1 | Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry, 2010, 2, 688-694 |
| 1508060 | CIF | C21 H20 Cl Mn2 N4 O9 | P n n a | 9.281; 25.932; 9.709 90; 90; 90 | 2336.7 | Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry, 2010, 2, 688-694 |
| 1508061 | CIF | C21 H20 Cl Mn2 N4 O8 | P n n a | 9.062; 25.6; 9.618 90; 90; 90 | 2231.3 | Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry, 2010, 2, 688-694 |
| 1508550 | CIF | C16 H36 Al Cl4 N | P n n a | 18.2479; 11.5043; 11.3089 90; 90; 90 | 2374.07 | Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers Macromolecules, 2012, 45, 7749 |
| 1509762 | CIF | Ag2 Bi O3 | P n n a | 5.975; 6.311; 9.563 90; 90; 90 | 360.604 | Deibele, S.; Jansen, M. Bismuth in Ag2 Bi O3: Tetravalent or internally disproportionated ? Journal of Solid State Chemistry, 1999, 147, 117-121 |
| 1509869 | CIF | Ag4 Bi2 O5 | P n n a | 14.283; 5.692; 8.777 90; 90; 90 | 713.56 | Deibele, S.; Jansen, M. Ag4 Bi2 O5 - ein neues Silberbismutat(III) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1996, 622, 539-542 |
| 1515854 | CIF | C30 H28 N2 | P n n a | 18.9732; 14.5707; 8.6223 90; 90; 90 | 2383.66 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1518061 | CIF | Bi Cr2 O8 Rb | P n n a | 10.0763; 13.0012; 5.774 90; 90; 90 | 756.42 | Riou, A.; Roult, G.; Gerault, Y.; Cudennec, Y. Etude par diffraction neutronique en temps de vol de la structure de alpha-RbBi(CrO4)2 Revue de Chimie Minerale, 1984, 21, 732-739 |
| 1520524 | CIF | C53 H69 N6 O25 P2 Ru | P n n a | 21.3561; 19.4016; 14.9635 90; 90; 90 | 6200.01 | Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L. Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design Chem. Sci., 2015, 6, 5531 |
| 1521395 | CIF | H4 Li2 N4 O10 Pd | P n n a | 11.2877; 8.4286; 10.767 90; 90; 90 | 1024.37 | Khranenko, S.P.; Belyaev, A.V.; Gromilov, S.A.; Virovets, A.V.; Baidina, I.A. Synthesis and crystal structure of Li2 (Pd (N O2)4) . 2(H2 O) Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1999, 40, 383-387 |
| 1524563 | CIF | As Ge Se | P n n a | 5.062; 10.117; 11.687 90; 90; 90 | 598.518 | Hulliger, F.; Siegrist, T. The crystal structure of Ge As Se Materials Research Bulletin, 1981, 16, 1245-1251 |
| 1527200 | CIF | Cs O8 Pr S2 | P n n a | 9.497; 14.106; 5.457 90; 90; 90 | 731.045 | Bukovec, N.; Golic, L.; Bukovec, P.; Siftar, J. Die Synthese und Kristallstruktur von Caesium-Praseodymsulfat Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1978, 109, 1305-1310 |
| 1527376 | CIF | Ru25 Y44 | P n n a | 28.08; 15.195; 15.195 90; 90; 90 | 6483.34 | Fornasini, M.L.; Mugnoli, A.; Palenzona, A. Crystal structure of Y44 Ru25 Journal of the Less-Common Metals, 1989, 154, 149-156 |
| 1527495 | CIF | Br4 Tl2 | P n n a | 8.02; 10.35; 10.45 90; 90; 90 | 867.423 | Hazell, A.C. The Crystal Structure of Thallium Dibromide Journal of the Chemical Society, 1963, 1963, 3459-3459 |
| 1527573 | CIF | D2.8 V2 Zr | P n n a | 5.4756; 5.4248; 7.731 90; 90; 90 | 229.642 | Irodova, A.V.; Bouree, F.; Andre, G. Phase transition between hydrogen superstructures with k=(001) and k=0 via incommensurate phase in Zr V2 Dx (2.8 <x <3.9) Journal of Alloys Compd., 2000, 302, 159-168 |
| 1528513 | CIF | K2 O5 Zr2 | P n n a | 5.85; 10.79; 8.76 90; 90; 90 | 552.944 | Gatehouse, B.M.; Lloyd, D.J. The crystal structure of beta-K2 Zr2 O5 Journal of Solid State Chemistry, 1970, 1, 478-483 |
| 1529361 | CIF | C12 H26 Fe2 N16 O16 | P n n a | 27.111; 12.697; 7.7352 90; 90; 90 | 2662.7 | Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials. Molecules (Basel, Switzerland), 2015, 20, 12341-12363 |
| 1529819 | CIF | As4 H5 Na3 O14 | P n n a | 10.038; 11.692; 9.533 90; 90; 90 | 1118.83 | Driss, A.; Jouini, T. Structure cristalline de Na3 H5 As4 O14 Journal of Solid State Chemistry, 1989, 78, 130-135 |
| 1530149 | CIF | I4 In2 | P n n a | 8.425; 10.969; 11.162 90; 90; 90 | 1031.52 | Khan, M.A.; Tuck, D.G. The crystal structure of indium diiodide, indium(I) tetraiodoindate(III) In (In I4) Inorganica Chimica Acta, 1985, 97, 73-76 |
| 1532193 | CIF | F7 K V Zr | P n n a | 11.098; 7.88; 6.48 90; 90; 90 | 566.691 | Schmidt, R.; Kraus, M.; Mueller, B.G. Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2344-2350 |
| 1532678 | CIF | Sb2 Zn3 | P n n a | 7.283; 15.398; 25.06 90; 90; 90 | 2810.32 | Bostroem, M.; Lidin, S. The incommensurably modulated strucutre of zeta-(Zn3-x Sb2) Journal of Alloys Compd., 2004, 376, 49-57 |
| 1532718 | CIF | Bi Nb O4 | P n n a | 5.6827; 11.717; 4.9854 90; 90; 90 | 331.949 | Lee Choong-Young; Marquart, R.; Zhou Qingdi; Kennedy, B.J. Structural and spectroscopic studies of Bi Ta1-x Nbx O4 Journal of Solid State Chemistry, 2003, 174, 310-318 |
| 1532721 | CIF | Bi O4 Ta | P n n a | 5.6384; 11.773; 4.9608 90; 90; 90 | 329.302 | Lee Choong-Young; Marquart, R.; Zhou Qingdi; Kennedy, B.J. Structural and spectroscopic studies of Bi Ta1-x Nbx O4 Journal of Solid State Chemistry, 2003, 174, 310-318 |
| 1533958 | CIF | Ge Mg N4 Sr3 | P n n a | 5.939; 10.32; 9.618 90; 90; 90 | 589.492 | Park Dong Gon; Gal, Z.A.; DiSalvo, F.J. Sr3 Ge Mg N4 : new quaternary nitride containing Mg Journal of Alloys Compd., 2003, 360, 85-89 |
| 1534506 | CIF | F H4 N O4 P V | P n n a | 12.982; 10.608; 6.4789 90; 90; 90 | 892.229 | Alda, E.; Bazab, B.; Arriortua, M.I.; Rojo, T.; Mesa, J.L.; Pizarro, J.L. A new vanadium(III) fluorophosphate with ferromagnetic interactions, (N H4) (V (P O4) F) Journal of Solid State Chemistry, 2003, 173, 101-108 |
| 1535618 | CIF | C4 H1.582 K2 N4 O0.791 Pd | P n n a | 7.2148; 9.7677; 13.2644 90; 90; 90 | 934.769 | Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M. Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1462-1468 |
| 1535620 | CIF | C4 H1.426 K2 N4 O0.713 Pt | P n n a | 7.1579; 9.7791; 13.2246 90; 90; 90 | 925.693 | Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M. Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 1462-1468 |
| 1544276 | CIF HKL Paper | C38 H28 Cl2 Cu N8 O4 | P n n a | 7.53614; 30.5246; 15.4918 90; 90; 90 | 3563.7 | Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate IUCrData, 2016, 1, x161562 |
| 1545290 | CIF | C34 H58 Cu2 N4 O8 | P n n a | 14.5909; 12.6902; 20.135 90; 90; 90 | 3728.23 | Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F. Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands. Chemical science, 2017, 8, 3031-3037 |
| 1549163 | CIF | C17 H17 N2 O4.25 Zn | P n n a | 8.3; 10.4; 19.74 90; 90; 90 | 1704 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549650 | CIF | C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 | P n n a | 21.8103; 22.977; 22.0395 90; 90; 90 | 11044.8 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1550674 | CIF | C40 H22 In N2 O8 | P n n a | 32.0315; 28.2049; 19.86 90; 90; 90 | 17942.4 | Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019 |
| 1553691 | CIF | C48 H30 N4 | P n n a | 14.768; 15.377; 16.689 90; 90; 90 | 3790 | Zhang, Yahui; Kong, Lingwei; Mao, Huiling; Pan, Xiaoling; Shi, Jianbing; Tong, Bin; Dong, Yuping Light/temperature-enhanced emission characteristics of malononitrile-containing hexaphenyl-1,3-butadiene derivatives: the hotter, the brighter Materials Chemistry Frontiers, 2017, 1, 2569 |
| 1553902 | CIF | C16 H36 Br Cl3 Fe N | P n n a | 18.4928; 11.5835; 11.4759 90; 90; 90 | 2458.3 | Li, Sanliang; Zhu, Bo; Lee, Richmond; Qiao, Baokun; Jiang, Zhiyong Visible light-induced selective aerobic oxidative transposition of vinyl halides using a tetrahalogenoferrate(iii) complex catalyst Organic Chemistry Frontiers, 2018, 5, 380 |
| 1559286 | CIF | C42 H48 B F4 N4 Ni | P n n a | 15.9816; 31.3; 15.8502 90; 90; 90 | 7928.7 | Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020 |
| 1559611 | CIF | C90 H186 Ce2 Cl4 O29 Si6 | P n n a | 22.1584; 41.418; 13.425 90; 90; 90 | 12320.9 | Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351 |
| 1559740 | CIF | C38 H40 F12 N2 O4 P2 | P n n a | 15.95929; 28.8471; 8.98775 90; 90; 90 | 4137.77 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
| 1561210 | CIF | C40 H41 Cu F4 N8 O7 | P n n a | 10.7421; 21.7013; 17.7109 90; 90; 90 | 4128.7 | Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties Journal of Solid State Chemistry, 2018, 258, 24-31 |
| 1561621 | CIF | C40 H20 Ca N8 O4 | P n n a | 18.045; 11.49; 15.228 90; 90; 90 | 3157.3 | Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions Journal of Solid State Chemistry, 2016, 233, 229-235 |
| 1561622 | CIF | C40 H22 N8 O4 Sr | P n n a | 18.0519; 11.7574; 15.2235 90; 90; 90 | 3231.1 | Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions Journal of Solid State Chemistry, 2016, 233, 229-235 |
| 1561678 | CIF | C24 H18 N10 O Zn | P n n a | 28.58; 27.79; 9.6693 90; 90; 90 | 7680 | Guo, Feng; Su, Changhua; Chu, Zepeng; Zhao, Minghui A highly stable 3D metal−organic framework for selectively luminescent sensing and knoevenagel condensation reaction Journal of Solid State Chemistry, 2019, 277, 25-31 |
| 1561980 | CIF | C43 H40 Co2 F6 N4 O13 | P n n a | 24.815; 13.262; 14.236 90; 90; 90 | 4685 | Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates Journal of Solid State Chemistry, 2015, 226, 206-214 |
| 1564001 | CIF | C34 H46 Cl2 Ir2 N2 O2 Se2 | P n n a | 14.4035; 17.2052; 16.2493 90; 90; 90 | 4026.82 | Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations Inorganica Chimica Acta, 2020, 513, 119919 |
| 1566080 | CIF | C26 H44 Fe N10 | P n n a | 13.1007; 11.6128; 20.0929 90; 90; 90 | 3056.8 | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures Chemical Science, 2022 |
| 1566081 | CIF | C26 H44 Co N10 | P n n a | 13.066; 11.6026; 19.926 90; 90; 90 | 3020.8 | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures Chemical Science, 2022 |
| 1568296 | CIF | C31 H53 Co2 O19 V6 | P n n a | 16.8845; 41.326; 14.1744 90; 90; 90 | 9890.5 | Schreiber, Eric; Brennessel, William W.; Matson, Ellen M. Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster. Chemical science, 2023, 14, 1386-1396 |
| 1568979 | CIF | C22 H27 Bi F3 N O6 S3 | P n n a | 17.7035; 24.613; 14.9608 90; 90; 90 | 6519 | Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer. Chemical science, 2023, 14, 5214-5219 |
| 1569926 | CIF | C62 H86 Cl2 Ga2 N2 P2 Pd Si2 | P n n a | 15.714; 22.937; 20.691 90; 90; 90 | 7458 | Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J. On the σ-complex character of bis(gallyl)/digallane transition metal species. Chemical science, 2023, 14, 11088-11095 |
| 1569927 | CIF | C71 H106 Cl2 Ga2 N2 Ni P2 Si2 | P n n a | 15.629; 22.82; 20.425 90; 90; 90 | 7285 | Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J. On the σ-complex character of bis(gallyl)/digallane transition metal species. Chemical science, 2023, 14, 11088-11095 |
| 1570221 | CIF | C55 H73 Na O10 | P n n a | 16.8733; 15.5281; 19.2855 90; 90; 90 | 5053 | Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties. Chemical science, 2023, 14, 13219-13227 |
| 1570379 | CIF | C43 H48 Cu4 I4 N8 | P n n a | 20.0759; 16.97565; 14.15214 90; 90; 90 | 4823.07 | Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189 |
| 1571050 | CIF | C18 H42 Cs N Si2 | P n n a | 14.353; 17.6841; 8.9669 90; 90; 90 | 2275.98 | Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion? Chemical science, 2024, 15, 4386-4395 |
| 1571453 | CIF | C48 H32 Cl2 F2 N4 O4 U2 | P n n a | 15.7599; 17.6063; 15.3755 90; 90; 90 | 4266.3 | Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L. The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts. Chemical science, 2024, 15, 6965-6978 |
| 1572756 | CIF | C22 H26 Cl N7 O6 Zn | P n n a | 14.0967; 11.9311; 14.7941 90; 90; 90 | 2488.2 | Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites. Chemical science, 2024, 15, 18000-18007 |
| 1572933 | CIF | C11 H5.5 B0.5 S2 | P n n a | 13.507; 7.4267; 19.947 90; 90; 90 | 2000.9 | Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light. Chemical science, 2024, 15, 19432-19442 |
| 1573721 | CIF | C58 H52 Co F24 N6 O P4 Re2 | P n n a | 22.3235; 15.8553; 17.5716 90; 90; 90 | 6219.39 | Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts Catalysis Science & Technology, 2025, 15, 1627-1633 |
| 1573933 | CIF | C60 H20 Au B F20 N4 | P n n a | 7.6381; 27.9614; 28.9791 90; 90; 90 | 6189.1 | Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations. Chemical science, 2025, 16, 4998-5006 |
| 1574687 | CIF | C30 H17 Br N2 O3 S | P n n a | 12.364; 35.4478; 13.1495 90; 90; 90 | 5763.12 | Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer Chemical Science, 2025, 16, 10714-10721 |
| 1575061 | CIF | C76 H98 Fe2 S5.2 Sn | P n n a | 18.3966; 30.5224; 13.0978 90; 90; 90 | 7354.52 | Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro Ferrocenyl Substituted Stannanethione and Stannaneselone Molecules, 2025, 30, 2826 |
| 1575482 | CIF | C12 H16 I Li N4 | P n n a | 20.4001; 12.3504; 12.3248 90; 90; 90 | 3105.2 | Paul, Shujit Chandra; Goddard III, William A.; Zdilla, Michael J.; Prakash, Prabhat; Wunder, Stephanie Louisa Grain Boundary Tuning Determines Iodide and Lithium-Ion Migration in a Solid Adiponitrile-LiI Molecular Crystal Electrolyte Materials Horizons, 2025 |
| 1575723 | CIF | C42 H76 B22 N4 | P n n a | 9.8245; 32.4522; 16.2721 90; 90; 90 | 5188 | Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB<sub>11</sub>H<sub>12</sub>]<sup/>. Chemical communications (Cambridge, England), 2025, 61, 16262-16265 |
| 1575953 | CIF | C16 H21 B10 N2 O6 Zn | P n n a | 13.7374; 12.6237; 15.635 90; 90; 90 | 2711.4 | Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin Moderately Polarized Carborane-MOF with Inverse C2 Selectivity for One-Step Polymer-Grade Ethylene Purification Materials Horizons, 2025 |
| 1575997 | CIF | C64 H92 Au4 S8 | P n n a | 27.431; 37.714; 13.8529 90; 90; 90 | 14331 | George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer Chemical Science, 2025 |
| 2001931 | CIF Paper | C14 H11 Fe N2 O10 | P n n a | 8.86; 11.007; 16.316 90; 90; 90 | 1591.2 | Marsh, R. E. On the crystal structure of bis(dipicolinato)ferrate(III) dihydrate Acta Crystallographica Section C, 1993, 49, 643 |
| 2002214 | CIF | Ag6 Ba O4 | P n n a | 6.63; 12.7; 9.09 90; 90; 90 | 765.4 | Keller, H L; Mueller-Buschbaum, Hk Zur Kenntnis von Ba Ag6 O4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1973, 28, 263-267 |
| 2002231 | CIF | Ag6 O4 Sr | P n n a | 6.518; 12.416; 8.909 90; 90; 90 | 721 | Keller, H L; Mueller-Buschbaum, Hk Strontiumargentat Sr Ag6 O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 393, 266-274 |
| 2010692 | CIF Paper | C14 H10 Cu N2 O9 | P n n a | 7.903; 11.068; 17.053 90; 90; 90 | 1491.6 | Okabe, Nobuo; Oya, Naomi Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid Acta Crystallographica Section C, 2000, 56, 305-307 |
| 2011420 | CIF HKL Paper | C19 H16 O2 | P n n a | 16.8468; 37.3753; 13.8418 90; 90; 90 | 8715.5 | Gerkin, Roger E. Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150K Acta Crystallographica Section C, 2000, 56, 1222-1224 |
| 2013396 | CIF HKL Paper | F6 H2 Na O P | P n n a | 10.559; 7.898; 6.057 90; 90; 90 | 505.1 | Ilia A. Guzei; Joseph M. Langenhan The correct space group of NaPF~6~·H~2~O Acta Crystallographica Section C, 2003, 59, i95-i96 |
| 2014425 | CIF Paper | C40 H24 N6 Ni2 O13 | P n n a | 29.5645; 18.0613; 6.5961 90; 90; 90 | 3522.1 | He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-μ~2~,μ~4~-5-nitro-1,3-benzenedicarboxylato] Acta Crystallographica Section C, 2004, 60, m569-m571 |
| 2014667 | CIF HKL Paper | C43.5 H40 B Cl F4 N7 O2 Ru2 | P n n a | 18.0977; 37.603; 12.9239 90; 90; 90 | 8795.1 | Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: μ-acetato-acetonitriletris(μ-<i>N</i>,<i>N</i>'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate Acta Crystallographica Section C, 2005, 61, m71-m73 |
| 2015648 | CIF HKL Paper | Cr0.5 K Nb0.5 O5 P | P n n a | 12.849; 10.672; 6.4635 90; 90; 90 | 886.3 | Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe) Acta Crystallographica Section C, 2006, 62, i91-i93 |
| 2015649 | CIF HKL Paper | Fe0.5 K Nb0.5 O5 P | P n n a | 12.9675; 10.705; 6.4638 90; 90; 90 | 897.3 | Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe) Acta Crystallographica Section C, 2006, 62, i91-i93 |
| 2015930 | CIF HKL Paper | C14 H15 Cl2 Co N4 O2.5 | P n n a | 7.4566; 11.8572; 22.6024 90; 90; 90 | 1998.38 | Lee, Gene-Hsiang; Wang, Hsin-Ta Hydrogen-bonded supramolecule of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of <i>catena</i>-poly[[[dichloridocobalt(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide-κ^2^<i>N</i>^4^:<i>N</i>^4'^] hemihydrate] Acta Crystallographica Section C, 2007, 63, m216-m219 |
| 2016178 | CIF HKL Paper | Co2 F18 H48 N12 O6 Zr3 | P n n a | 16.037; 14.692; 12.9942 90; 90; 90 | 3061.64 | Gubanov, Alexander I.; Kuratieva, Natalia V. Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O Acta Crystallographica Section C, 2007, 63, i83-i85 |
| 2016693 | CIF HKL Paper | F O3 Sc Te | P n n a | 5.774; 22.062; 5.5 90; 90; 90 | 700.6 | Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F Acta Crystallographica Section C, 2008, 64, i57-i61 |
| 2017084 | CIF HKL Paper | C24 H38 I2 N2 O2 S2 | P n n a | 12.398; 10.1902; 23.773 90; 90; 90 | 3003.4 | Zhang, Zheng; Tang, Xiao-Yan; Lang, Jian-Ping; Chen, Jin-Xiang Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate Acta Crystallographica Section C, 2009, 65, o211-o213 |
| 2018449 | CIF HKL Paper | C26 H18 F8 O2 Rh2 | P n n a | 25.7648; 10.8166; 8.0542 90; 90; 90 | 2244.6 | García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J. Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)] Acta Crystallographica Section C, 2012, 68, m113-m116 |
| 2019985 | CIF HKL Paper | C28 H20 Cl2 N4 | P n n a | 11.619; 23.173; 9.165 90; 90; 90 | 2467.6 | Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie Experimental and theoretical studies of the products of addition–elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes Acta Crystallographica Section C, 2015, 71 |
| 2020895 | CIF HKL Paper | C2 H10 Cl4 Cu N6 | P n n a | 8.4242; 10.0515; 13.1557 90; 90; 90 | 1113.97 | Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W. Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization Acta Crystallographica Section C, 2018, 74 |
| 2102536 | CIF Paper | C18 H18 N6 O4 Tc2 | P n n a | 13.869; 10.851; 12.799 90; 90; 90 | 1926.2 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
| 2106089 | CIF | Os0.05 Pu0.95 | P n n a | 15.839; 7.819; 9.151 90; 90; 90 | 1133.31 | Cromer, D.T. The crystal structure of eta-Pu19 Os, a structure closely related to beta-Pu Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1945-1949 |
| 2107293 | CIF HKL Paper | Cs F7 Y2 | P n n a | 13.6028; 12.3072; 7.8426 90; 90; 90 | 1312.9 | McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B, 2015, 71, 768-776 |
| 2107294 | CIF HKL | F7 Rb Sm2 | P n n a | 13.9359; 12.2412; 7.9329 90; 90; 90 | 1353.3 | McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B, 2015, 71, 768-776 |
| 2107295 | CIF HKL | Cs F7 Gd2 | P n n a | 13.828; 12.415; 7.9681 90; 90; 90 | 1367.9 | McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B, 2015, 71, 768-776 |
| 2107309 | CIF | Cl4 Ga2 | P n n a | 7.2235; 9.7211; 9.5421 90; 90; 90 | 670.05 | Wilkinson, A.P.; Cheetham, A.K.; Cox, D.E. Study of oxidation-state contrast in gallium dichloride by synchrotron x-ray anomalous scattering Acta Crystallographica B (39,1983-), 1991, 47, 155-161 |
| 2108670 | CIF Paper | C3 H8 N2 O6 P2 | P n n a | 7.014; 8.361; 14.389 90; 90; 90 | 843.8 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
| 2108671 | CIF HKL Paper | C3 H8 N2 O6 P2 | P n n a | 6.962; 8.368; 14.388 90; 90; 90 | 838.2 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
| 2204903 | CIF HKL Paper | C16 H36 Cl4 Fe N | P n n a | 18.4522; 11.5264; 11.4079 90; 90; 90 | 2426.3 | Hay, Michael T.; Geib, Steven J. Tetrabutylammonium tetrachloroferrate(III) Acta Crystallographica Section E, 2005, 61, m190-m191 |
| 2206512 | CIF HKL Paper | C25 H25 Cu N3 O7 | P n n a | 20.843; 11.964; 9.983 90; 90; 90 | 2489.4 | Hong, Xian-Lan; Li, Yi-Zhi; Jiang, Guo-Qing; Bai, Jun-Feng <i>catena</i>-Poly[[[tripyridinecopper(II)]-μ-<i>m</i>-phenylenedioxydiacetato] monohydrate] Acta Crystallographica Section E, 2005, 61, m1556-m1558 |
| 2208158 | CIF HKL Paper | C14 H6 N2 Na2 Ni O8 | P n n a | 14.4859; 12.5078; 8.3069 90; 90; 90 | 1505.1 | Xiang, Jing; Yin, Ye-Gao; Huang, Xiao-Chun Poly[bis(μ~2~-pyridine-2,6-dicarboxylato)nickel(II)disodium(I)] Acta Crystallographica Section E, 2006, 62, m213-m215 |
| 2208386 | CIF HKL Paper | C10 H30 O11 Si8 | P n n a | 16.927; 36.212; 8.5413 90; 90; 90 | 5235.5 | Bolte, Michael <i>ortho</i>-Bis(dimethylsilyl)hexamethyldecasilasesquioxane Acta Crystallographica Section E, 2006, 62, o983-o984 |
| 2208805 | CIF HKL Paper | C16 H36 Br Cl3 Fe N | P n n a | 18.5191; 11.5864; 11.4957 90; 90; 90 | 2466.6 | Kruszynski, Rafal; Wyrzykowski, Dariusz Tetrabutylammonium bromotrichloroferrate(III) Acta Crystallographica Section E, 2006, 62, m994-m996 |
| 2209944 | CIF HKL Paper | C40 H42 Cd N4 O6 S2 | P n n a | 24.101; 17.286; 9.2556 90; 90; 90 | 3856 | Ping, Lin; Wang, Zhi-Cheng; Ng, Seik Weng Poly[[bis(<i>p</i>-toluenesulfonato-κ<i>O</i>)cadmium(II)]bis(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')] Acta Crystallographica Section E, 2006, 62, m1880-m1881 |
| 2210796 | CIF HKL Paper | C13 H4 Cl6 F2 | P n n a | 19.896; 11.483; 6.614 90; 90; 90 | 1511.1 | Guang-Xiang Zhong; Kun Zhao; Ya-Ping Lü; Wei-Xiao Hu Dichlorobis(2,4-dichloro-5-fluorophenyl)methane Acta Crystallographica Section E, 2006, 62, o4629-o4630 |
| 2211010 | CIF HKL Paper | C18 H14 N8 O4 | P n n a | 13.546; 33.654; 3.7035 90; 90; 90 | 1688.3 | Ji-Lin Lu; Da-Shun Zhang; Lin Li; Bei-Ping Liu 1,4-Dihydro-3,6-dipyrazin-2-yl-1,2,4,5-tetrazine–benzene-1,3-dicarboxylic acid (1/1) Acta Crystallographica Section E, 2006, 62, o4855-o4857 |
| 2211465 | CIF HKL Paper | C16 H15 Cl2 N6 O0.5 Zn | P n n a | 9.279; 16.055; 12.474 90; 90; 90 | 1858.3 | Dong-Xia Zhu; Ya-Qian Lan; Yao-Mei Fu; Zhong-Min Su <i>cis</i>-Dichlorobis[2-(2-pyridyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) hemihydrate Acta Crystallographica Section E, 2006, 62, m3479-m3480 |
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