Crystallography Open Database
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Searching space group like 'P b c n'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1536559 | CIF | H12 Na5 O33.5 Te4 | P b c n | 17.215; 13.5405; 26.339 90; 90; 90 | 6139.61 | Driess, M.; Merz, K.; Rowlings, R.B. Orthotelluric acid as substitute for crystal-water: syntheses and crystal structure of the co-crystallate (Te (O H)6 . 2 adenine . 4(H2 O)) and the disodium ditellurate(VI) aggregate ((Te2 O2 (O H)6 (O Na)2)2 (Na O H . 12.5(H2 O))) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 213-217 |
1536726 | CIF | As11 Rb3 | P b c n | 11.082; 15.335; 10.601 90; 90; 90 | 1801.56 | Emmerling, F.; Roehr, C. Die Undecaarsenide A3 As11 (A = Rb, Cs) - Synthesen und Kristallstrukturen Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 467-472 |
1536832 | CIF | Cl6 H2 Ir K3 O | P b c n | 12.436; 15.682; 12.072 90; 90; 90 | 2354.3 | Rankin, D.A. The chloro and bromo complexes of iridium(III) and iridium(IV). II. Structural chemistry of Ir(III) complexes Australian Journal of Chemistry, 1983, 36, 771-883 |
1536979 | CIF | Cl2 H14 O17 U | P b c n | 14.495; 9.216; 10.675 90; 90; 90 | 1426.03 | Fischer, A. Competitive coordination of the uranyl ion by perchlorate and water - the crystal structures of U O2 (Cl O4)2 * 3(H2 O) and U O2 (Cl O4)2 * 5(H2 O) and a redetermination of U O2 (Cl O4)2 * 7(H2 O) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 1012-1016 |
1537384 | CIF | H16 Na4 O14 Xe | P b c n | 11.87; 10.47; 10.39 90; 90; 90 | 1291.26 | Hamilton, W.C.; Ibers, J.A.; MacKenzie, D.R. Geometry of the Perxenate Ion Science, 1963, 141, 532-534 |
1537386 | CIF | Hf O4 Ti | P b c n | 4.758; 5.61; 5.072 90; 90; 90 | 135.384 | Harari, A.; Huber, M.; Bocquet, J.P.; Collongues, R. Structure cristalline de l'oxyde mixte Hf Ti O4 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1968, 267, 1316-1318 |
1537545 | CIF | Mn O5 Se2 | P b c n | 6.797; 10.617; 6.3 90; 90; 90 | 454.632 | Koskenlinna, M.; Niinisto, L.; Valkonen, J. The crystal structure of manganese(II) diselenite Acta Chemica Scandinavica, Series A: (28,1974-), 1976, 30, 836-837 |
1538358 | CIF | O4 Ti Zr | P b c n | 4.806; 5.447; 5.032 90; 90; 90 | 131.729 | Newnham, R.E. Crystal structure of Zr Ti O4 Journal of the American Ceramic Society, 1967, 50, 216-216 |
1539125 | CIF | F7 H Na3 Nb O2 | P b c n | 6.703; 14.982; 14.092 90; 90; 90 | 1415.18 | Stomberg, R. The Crystal Structure of Trisodium Pentafluoroperoxoniobate(V) Hydrogendifluoride, Na3 (H F2) (Nb F5 (O2)) Acta Chemica Scandinavica, Series A: (28,1974-), 1981, 35, 389-394 |
1539224 | CIF | Ge3 Ru2 | P b c n | 11.436; 9.24; 5.718 90; 90; 90 | 604.213 | Voellenkle, H. Die Kristallstruktur von Ru2 Ge3 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1974, 105, 1217-1227 |
1539301 | CIF | Mn0.33 O2 Ta0.67 | P b c n | 4.7471; 5.7438; 5.148 90; 90; 90 | 140.367 | Tarakina, N.V.; Tyutyunnik, A.P.; Zubkov, V.G.; D'yachkova, T.V.; Swensson, G.; Sayagues, M.; Zainulin, Yu.G. New phases in the Mn O - Nb (Ta)2 O5 system prepared by high-pressure high-temperature technique Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 2003, 44, 286-289 |
1539497 | CIF | Cd K2 O2 | P b c n | 10.089; 6.186; 6.152 90; 90; 90 | 383.95 | Vielhaber, E.; Hoppe, R. Ueber Oxocadmate: Die Kristallstruktur von K2 Cd O2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 392, 209-217 |
1539609 | CIF | Mn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42 | P b c n | 14.51; 5.558; 5.173 90; 90; 90 | 417.185 | Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N. Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure European Journal of Mineralogy (1,1989-), 1993, 5, 1161-1165 |
1539795 | CIF | C Mo2 | P b c n | 4.735; 6.025; 5.21 90; 90; 90 | 148.633 | Epicier, T.; Dubois, J.; Esnouf, C.; Fantozzi, G.; Convert, P. Neutron powder diffraction studies of transition metal hemicarbides M2 C1-x - II. In situ high temperature study on W2 C1-x and Mo2 C1-x Acta Metallurgica, 1988, 36, 1903-1921 |
1540281 | CIF | C4 Cl19 Cs2 Gd10 | P b c n | 12.344; 22.434; 13.924 90; 90; 90 | 3855.91 | Liess, H.; Steffen, F.; Meyer, G. Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20 Journal of Alloys Compd., 1997, 246, 242-247 |
1540848 | CIF | Fe Nb1.54 O6 Ta0.46 | P b c n | 14.317; 5.74; 5.067 90; 90; 90 | 416.404 | Wenger, M.; Armbruster, T. Columbite (Fe,Mn)(Nb,Ta)2O6 in the pegmatites of the calc-alkine Bergell intrusion (southeast Central Alps) Schweizerische Mineralogische und Petrographische Mitteilungen, 1991, 71, 349-369 |
1540849 | CIF | Na3 P11 | P b c n | 9.828; 12.466; 10.41 90; 90; 90 | 1275.39 | Wichelhaus, W.; von Schnering, H.G. Na3 P11, ein Phosphid mit isolierten (P11)(3-) - Gruppen Naturwissenschaften, 1973, 60, 104-104 |
1541634 | CIF | H22 Mo5 N4 O24 S2 | P b c n | 15.096; 13.375; 23.734 90; 90; 90 | 4792.11 | Matsumoto, Kazuko Y.; Kato, Masao; Sasaki, Yukiyoshi The Crystal Structure of Ammonium Pentamolybdodisulfate(IV) (4-) Trihydrate (NH~4~)~4~[S^IV^2Mo~5~O~21~]·3H~2~O Bulletin of the Chemical Society of Japan, 1976, 49, 106-110 |
1541755 | CIF | C2 F6 K N O4 S2 | P b c n | 22.346; 13.541; 12.86 90; 90; 90 | 3891.27 | Xue, L.-X.; Padgett, C.W.; DesMarteau, D.D.; Pennington, W.T. Synthesis and structures of alkali metal salts of bis((trifluoromethyl) sulfonyl) imide Solid State Sciences, 2002, 4, 1535-1545 |
1542162 | CIF | C4 Cu Hg N4 S4 | P b c n | 9.03; 7.68; 15.15 90; 90; 90 | 1050.66 | Porai-Koshits, M.A. Structural Features of Crystals of Some Rhodanide Compounds with Divalent Nickel and Copper Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1963, 4, 584-593 |
1542263 | CIF | C24.5 H17 Cl N O S0.5 | P b c n | 15.9195; 13.7674; 17.3771 90; 90; 90 | 3808.54 | Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci., 2016, 7, 2201 |
1542387 | CIF | C10 H16 N4 O5 | P b c n | 14.614; 12.706; 13.842 90; 90; 90 | 2570.3 | Zheng, Jing; Qi, Jifeng; Cui, Sunliang Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis. Organic letters, 2016, 18, 128-131 |
1542463 | CIF HKL Paper | C48 H40 Mo4 O16 P4 | P b c n | 16.1061; 19.891; 15.254 90; 90; 90 | 4886.9 | Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V) IUCrData, 2016, 1, x160036 |
1542544 | CIF | C12 H17 F9 N6 O7 | P b c n | 12.335; 21.047; 7.89 90; 90; 90 | 2048.4 | Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation. Chemical communications (Cambridge, England), 2016, 52, 4991-4994 |
1542568 | CIF | C38 H30 N4 S3 | P b c n | 29.6046; 11.8388; 17.1781 90; 90; 90 | 6020.6 | Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization) Chem. Sci., 2016, 7, 3851 |
1542592 | CIF | C64.5 H68 Cl7.5 N5 Ni O2 | P b c n | 11.0983; 34.992; 32.965 90; 90; 90 | 12802 | Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent Chem. Sci., 2016, 7, 4059 |
1542892 | CIF | C22 H28 Br2 Cl Fe N4 O6 | P b c n | 10.3027; 14.2644; 18.1624 90; 90; 90 | 2669.18 | Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N. Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound Chem. Sci., 2016, 7, 4251 |
1542893 | CIF | C22 H28 Br2 Cl Fe N4 O6 | P b c n | 11.931; 12.17; 19.166 90; 90; 90 | 2782.9 | Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N. Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound Chem. Sci., 2016, 7, 4251 |
1543669 | CIF | C30 H22 B2 N2 | P b c n | 28.5686; 10.069; 7.7705 90; 90; 90 | 2235.24 | Zhang, Wanzheng; Zhang, Fan; Tang, Ruizhi; Fu, Yubin; Wang, Xinyang; Zhuang, Xiaodong; He, Gufeng; Feng, Xinliang Angular BN-Heteroacenes with syn-Structure-Induced Promising Properties as Host Materials of Blue Organic Light-Emitting Diodes. Organic letters, 2016, 18, 3618-3621 |
1543783 | CIF | C17 H36 Cl2 N6 Ni P2 | P b c n | 18.1927; 14.0509; 21.446 90; 90; 90 | 5482.1 | Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling. Organic letters, 2016, 18, 3186-3189 |
1543809 | CIF | C40 H42 O2 S8 | P b c n | 4.4192; 33.029; 27.3541 90; 90; 90 | 3992.7 | Khadem, Mohammadreza; Walsh, Joshua C.; Bodwell, Graham J.; Zhao, Yuming A Macrocyclization of 1,8-Bis(dithiafulvenyl)pyrenes. Organic letters, 2016, 18, 2403-2406 |
1543884 | CIF HKL Paper | C9 H24 B4 O8 | P b c n | 7.5362; 15.1084; 14.5384 90; 90; 90 | 1655.34 | Liu, Sumeng; Girolami, Gregory S. Tetrakis(dimethoxyboryl)methane IUCrData, 2016, 1, x161264 |
1543950 | CIF | C6 H12 Cd Cu O12 | P b c n | 6.6224; 13.9772; 13.0407 90; 90; 90 | 1207.08 | V.S. Dhanya; M.R. Sudarsanakumar; S. Suma; M.R. Prathapachandra Kurup; Maheswaran Sithambaresan; Sunalya M. Roy; Shibu M. Eapen Spectral, thermal, structural and microhardness studies of tetraaquabis(malonato)cadmium(II)copper(II): A new three-dimensional heterobimetallic framework system Inorganica Chimica Acta, 2014, 367-371 |
1543991 | CIF | C44 H28 O4 | P b c n | 7.9399; 20.8101; 19.6719 90; 90; 90 | 3250.4 | Zhu, Hai-Tao; Ke, Sen; Zhou, Ni-Ni; Fan, Ming-Jin; Yang, De-Suo Regioselective Intermolecular [2 + 2]-Cycloaddition of α-Iodo-Unsaturated Ketones Promoted by Diisobutylaluminum Hydride. Organic letters, 2016, 18, 4554-4557 |
1544136 | CIF | C45 H38 N2 O4 | P b c n | 12.0454; 19.9342; 15.6271 90; 90; 90 | 3752.3 | He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong Cu(i)-Catalyzed amino-yne click polymerization Polym. Chem., 2016, 7, 7375 |
1544267 | CIF | C17 H24 Cl2 Co N4 | P b c n | 14.2357; 8.2893; 15.2974 90; 90; 90 | 1805.2 | Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol., 2016, 6, 7408 |
1545105 | CIF | C30 H49 B5 Cl Ir3 | P b c n | 18.0776; 23.0282; 16.1926 90; 90; 90 | 6740.9 | Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes. Inorganic chemistry, 2017, 56, 1524-1533 |
1545119 | CIF | C132 H242 Au34 S22 | P b c n | 26.0266; 27.9405; 28.5247 90; 90; 90 | 20743.1 | Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends. Nanoscale, 2017, 9, 3742-3746 |
1545184 | CIF | C19 H21 N2 Np | P b c n | 13.6966; 8.3864; 14.6562 90; 90; 90 | 1683.5 | Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci., 2017, 8, 2553 |
1545373 | CIF | C28 H18 B2 F4 N2 O2 | P b c n | 10.5217; 12.6033; 16.7317 90; 90; 90 | 2218.8 | Crandall, Laura A.; Dawadi, Mahesh B.; Burrell, Tailon; Odoom, Adwoa; Ziegler, Christopher J. Structure and electronics in dimeric boron π expanded azine and salphen complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017 |
1545542 | CIF | Mg O3 Si | P b c n | 9.34; 8.79; 5.36 90; 90; 90 | 440 | Sadanaga, R.; Okamura, F.P.; Takeda, H. X-ray study of the phase transformations of enstatite :Sample at 1100 C Mineralogical Journal, 1969, 6, 110-130 |
1546309 | CIF | C59 H64 Cl0 Cu N2 O2 S6 | P b c n | 29.325; 20.484; 9.653 90; 90; 90 | 5798 | Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers Polym. Chem., 2017 |
1546406 | CIF | C45 H38 | P b c n | 8.6787; 23.1736; 16.1895 90; 90; 90 | 3256 | Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803 |
1546455 | CIF | C20 H30 B Cl2 N4 P | P b c n | 31.987; 8.6554; 16.7007 90; 90; 90 | 4623.8 | Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017 |
1546511 | CIF | C10 H25 F2 Ga5 N4 O17 P4 | P b c n | 13.372; 10.447; 18.538 90; 90; 90 | 2589.7 | Wessels, T.; McCusker, L. B.; Baerlocher, Ch.; Reinert, P.; Patarin, J. Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-5) prepared in the presence of 1,4,8,11-tetraazacyclotetradecane Microporous and Mesoporous Materials, 1998, 23, 67-77 |
1546972 | CIF | C91 H131.5 Dy K O13 | P b c n | 21.7362; 30.613; 25.4472 90; 90; 90 | 16932.8 | Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J. Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment Chem. Sci., 2017 |
1547166 | CIF | C46 H31 Cl4 N O2 | P b c n | 24.3391; 8.299; 35.4906 90; 90; 90 | 7168.8 | Shoyama, Kazutaka; Schmidt, David; Mahl, Magnus; Würthner, Frank Electron-Poor Bowl-Shaped Polycyclic Aromatic Dicarboximides: Synthesis, Crystal Structures, and Optical and Redox Properties. Organic letters, 2017, 19, 5328-5331 |
1547190 | CIF | C22 H17 Cl2 N5 O5 | P b c n | 26.252; 7.3051; 24.0223 90; 90; 90 | 4606.8 | Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents Chemistry Central Journal, 2013, 7, 123 |
1547258 | CIF | C24 H24 O7 | P b c n | 30.699; 8.444; 8.788 90; 90; 90 | 2278 | Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination Chemistry Central Journal, 2013, 7, 107 |
1547306 | CIF | C10 H8 O2 | P b c n | 9.49; 11.322; 7.377 90; 90; 90 | 792.6 | Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C. Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors Polym. Chem., 2017 |
1547577 | CIF | C37 H26 O2 S | P b c n | 13.7489; 12.7062; 34.5595 90; 90; 90 | 6037.4 | Wang, Ming; Chen, Shihao; Jiang, Xuefeng Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts. Organic letters, 2017, 19, 4916-4919 |
1547651 | CIF | C6 H6 B I O2 | P b c n | 19.531; 18.4544; 9.7999 90; 90; 90 | 3532.2 | Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017 |
1548266 | CIF | C22 H26 B2 N2 O2 | P b c n | 9.3775; 22.196; 9.432 90; 90; 90 | 1963.2 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
1548273 | CIF | C9 H5 Cu N5 O4 | P b c n | 12.1905; 14.4177; 20.4894 90; 90; 90 | 3601.2 | Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures Nature Communications, 2015, 6, 7328 |
1548494 | CIF | C4 H4 Br4 O4 Pb3 | P b c n | 8.2193; 14.718; 10.7344 90; 90; 90 | 1298.56 | Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light. Chemical science, 2018, 9, 1627-1633 |
1548549 | CIF | Mg O3 Si | P b c n | 9.25655; 8.73919; 5.31939 90; 90; 90 | 430.311 | Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364 |
1548550 | CIF | Mg O3 Si | P b c n | 9.2732; 8.7266; 5.3217 90; 90; 90 | 430.651 | Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K) Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364 |
1548575 | CIF | C18 H6 B3 F9 O3 | P b c n | 17.083; 13.093; 7.99 90; 90; 90 | 1787.1 | Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew Mechanistic insights into boron-catalysed direct amidation reactions. Chemical science, 2018, 9, 1058-1072 |
1548841 | CIF HKL Paper | C24 H26 O4 | P b c n | 15.1185; 11.0273; 24.141 90; 90; 90 | 4024.7 | Kalaivanan, R.; Sughanya, V.; Sureshbabu, N. 9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione IUCrData, 2018, 3, x180105 |
1549169 | CIF | C22 H22.5 N2.5 O4 Zn | P b c n | 9.845; 22.082; 21.905 90; 90; 90 | 4762 | 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 |
1549564 | CIF | C23 H30 N2 | P b c n | 15.5646; 7.8895; 15.9608 90; 90; 90 | 1959.9 | Walther, Patrick; Frey, Wolfgang; Naumann, Stefan Polarized olefins as enabling (co)catalysts for the polymerization of γ-butyrolactone Polymer Chemistry, 2018, 9, 3674 |
1549580 | CIF | C24 H16 F6 I2 N2 O6 S2 | P b c n | 22.337; 12.7364; 10.9081 90; 90; 90 | 3103.3 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
1549781 | CIF HKL Paper | C19 H14 O2 | P b c n | 19.7403; 9.3294; 15.0595 90; 90; 90 | 2773.4 | Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra 10-Methyl-9,11-annulated dibenzobarrelene IUCrData, 2018, 3, x181102 |
1549901 | CIF | Nb0.5 O2 Ti0.25 Zn0.25 | P b c n | 4.67138; 5.65916; 5.00745 90; 90; 90 | 132.377 | Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y. Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta) Journal of Asian Ceramic Societies, 2018, 6, 247-253 |
1550268 | CIF | C4 H5 Cu I N | P b c n | 4.2749; 16.1161; 17.0121 90; 90; 90 | 1172.04 | Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing Copper(i)-polymers and their photoluminescence thermochromism properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486 |
1550777 | CIF | C34 H20.25 N6 O0.12 S4 | P b c n | 32.3746; 8.0807; 22.6746 90; 90; 90 | 5931.9 | Li, Mengqi; Chen, Li-Jun; Zhang, Zhipeng; Luo, Qianfu; Yang, Hai-Bo; Tian, He; Zhu, Weihong Conformer-dependent self-assembly metallacycles with photo-reversible response Chemical Science, 2019 |
1550862 | CIF | C14 H18 Ca N2 O7 | P b c n | 28.4326; 7.33162; 7.92571 90; 90; 90 | 1652.17 | Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry. Dalton transactions (Cambridge, England : 2003), 2019, 48, 6513-6521 |
1550864 | CIF | C14 H14 Ba N2 O5 | P b c n | 31.0208; 12.1669; 7.822 90; 90; 90 | 2952.23 | Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Emmerling, Franziska; Kemnitz, Erhard Ca-, Sr-, and Ba-Coordination polymers based on anthranilic acid via mechanochemistry. Dalton transactions (Cambridge, England : 2003), 2019, 48, 6513-6521 |
1551305 | CIF | C42 H68 N4 O6 S2 | P b c n | 9.8603; 43.035; 38.9591 90; 90; 90 | 16531.8 | M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D. Isolated α-turn and incipient γ-helix Chemical Science, 2019 |
1551517 | CIF | C38 H58 N14 S4 Zn2 | P b c n | 20.581; 13.879; 16.592 90; 90; 90 | 4739 | Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex. Metallomics : integrated biometal science, 2019, 11, 1372-1386 |
1551632 | CIF | C25 H28 Cu N6 O6 | P b c n | 12.666; 12.687; 15.113 90; 90; 90 | 2428.6 | SAGA, Makoto; SAKANE, Genta; YAMAZAKI, Shigeo; SAITO, Keiitsu Crystal Structure of a Copper(II) Complex with <i>N</i>,<i>N</i>′-Bis(2-methylquinolyl)-dimethyl-1,3-propanediamine X-ray Structure Analysis Online, 2015, 31, 41 |
1551650 | CIF | C19 H14 N4 O | P b c n | 7.9513; 23.364; 8.3103 90; 90; 90 | 1543.8 | HAO, Yongjing; XIE, Juan; MENG, Xiaocai; GAO, Xiaorui Crystal Structure of 1,3-Di(quinolin-3-yl)urea X-ray Structure Analysis Online, 2014, 30, 27 |
1551726 | CIF | C19 H20 N2 S | P b c n | 4.8145; 12.6749; 26.2919 90; 90; 90 | 1604.42 | SRINIVASAN, N.; THIRUMARAN, S.; KAPOOR, Kamini; GUPTA, Vivek K. Crystal Structure of Bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione X-ray Structure Analysis Online, 2011, 27, 63 |
1551779 | CIF | C9 H10 Cl3 N3 O | P b c n | 14.439; 8.3664; 39.656 90; 90; 90 | 4790.5 | KAWAMURA, Tomoko; HIRAYAMA, Noriaki Addendum: Crystal Structure of Guanfacine Hydrochloride [X-ray Structure Analysis Online, Vol. 25, p. 3 (2009)] X-ray Structure Analysis Online, 2009, 25, 47 |
1552117 | CIF HKL Paper | C32 H22 F12 N4 O2 | P b c n | 13.479; 11.213; 22.552 90; 90; 90 | 3408.5 | Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A. (1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate IUCrData, 2019, 4, x191010 |
1552157 | CIF | C17 H22 O | P b c n | 31.0922; 11.7199; 7.596 90; 90; 90 | 2767.96 | Stegbauer, Simone; Jeremias, Noah; Jandl, Christian; Bach, Thorsten Reversal of reaction type selectivity by Lewis acid coordination: the ortho photocycloaddition of 1- and 2-naphthaldehyde Chemical Science, 2019 |
1552496 | CIF | C44 H24 In N2 O8 | P b c n | 29.078; 22.581; 30.471 90; 90; 90 | 20008 | Jiang, Xiao-Lei; Hou, Sheng-Li; Jiao, Zhuo-Hao; Zhao, Bin Luminescent Detection of Colchicine by a Unique Indium-Organic Framework in Water with High Sensitivity. Analytical chemistry, 2019, 91, 9754-9759 |
1552882 | CIF | C42 H53 Au N2 | P b c n | 34.2921; 13.9716; 17.0268 90; 90; 90 | 8157.8 | Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446 |
1552971 | CIF | C31 H30 N2 | P b c n | 26.28; 9.4772; 9.5917 90; 90; 90 | 2388.9 | Wang, Bin; Gu, Zhenhua Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives Org. Chem. Front., 2014, 1, 271 |
1553602 | CIF | C12 H9 N O S3 | P b c n | 7.9629; 16.9905; 18.7808 90; 90; 90 | 2540.92 | Chen, Qiao; Lei, Yingjie; Wang, Yanfang; Wang, Chao; Wang, Yanan; Xu, Zhaoqing; Wang, Huan; Wang, Rui Direct thiocyanation of ketene dithioacetals under transition-metal-free conditions Organic Chemistry Frontiers, 2017, 4, 369 |
1553910 | CIF | C38 H26 N4 O4 | P b c n | 21.1618; 11.9414; 23.2097 90; 90; 90 | 5865.1 | Zwoliński, K. M.; Sieroń, L.; Eilmes, J. One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges Organic Chemistry Frontiers, 2018, 5, 171 |
1554197 | CIF | C56 H34 F12 Ir N5 O2 P2 | P b c n | 22.853; 23.83; 18.909 90; 90; 90 | 10298 | Han, Hua-Bo; Ma, Xiao-Feng; Wu, Zheng-Guang; Zheng, You-Xuan Highly efficient yellow electroluminescence of iridium complexes with good electron mobility Materials Chemistry Frontiers, 2018, 2, 1284 |
1554328 | CIF | C16 H15 Cl O | P b c n | 57.5837; 5.8021; 8.0527 90; 90; 90 | 2690.46 | Chen, Mintao; Wei, Yin; Shi, Min A facile method for the synthesis of trifluoromethylthio-/chloro-homoallylic alcohols from methylenecyclopropanes Organic Chemistry Frontiers, 2018, 5, 2030 |
1554752 | CIF | C64 H72 Cl2 N18 Na2 O19 S2 | P b c n | 19.1042; 43.808; 23.0275 90; 90; 90 | 19272.1 | Bauer, Daniel; Andrae, Beatrice; Gaß, Patrick; Trenz, Danjano; Becker, Sabine; Kubik, Stefan Functionalisable acyclic cucurbiturils Organic Chemistry Frontiers, 2019, 6, 1555 |
1554942 | CIF | C26 H20 Cu F6 P | P b c n | 15.5529; 7.3629; 19.8862 90; 90; 90 | 2277.26 | Liu, He; Shen, Qilong Bistrifluoromethylated organocuprate [Ph4P]+[Cu(CF3)2]−: synthesis, characterization and its application for trifluoromethylation of activated heteroaryl bromides, chlorides and iodides Organic Chemistry Frontiers, 2019, 6, 2324 |
1554985 | CIF | C25 H22 B11 Cl6 N | P b c n | 18.70332; 18.4574; 18.4002 90; 90; 90 | 6352.02 | Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Peraryl-X-onium ions of nitrogen and oxygen Organic Chemistry Frontiers, 2019, 6, 2640 |
1554986 | CIF | C25 H22 B11 Cl6 N | P b c n | 18.015; 14.8013; 23.3476 90; 90; 90 | 6225.53 | Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Peraryl-X-onium ions of nitrogen and oxygen Organic Chemistry Frontiers, 2019, 6, 2640 |
1555205 | CIF | C25 H18 N2 O2 | P b c n | 18.714; 15.974; 12.0964 90; 90; 90 | 3616.1 | Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part Organic Chemistry Frontiers, 2019, 6, 3649 |
1555422 | CIF | C16 H18 Li N2 O | P b c n | 15.9311; 9.7436; 9.2498 90; 90; 90 | 1435.81 | Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A. Interaction of Azobenzene and Benzalaniline with Strong Amido Bases. Organic letters, 2015, 17, 6154-6157 |
1556086 | CIF | C148 H134 Ag10 B2 Cl8 F8 N6 P12 | P b c n | 28.1498; 17.1737; 30.4308 90; 90; 90 | 14711.4 | Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J. Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication Nanoscale, 2019 |
1556482 | CIF | C12 H28 Br2 Ca O5 | P b c n | 11.4609; 11.5457; 14.2003 90; 90; 90 | 1879.04 | Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M. Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium Inorganics, 2016, 4, 39 |
1556590 | CIF | C29 H44 Cl F6 Ir N3 O1.5 P | P b c n | 11.9277; 19.21; 28.2172 90; 90; 90 | 6465.4 | Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L. Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature Inorganics, 2018, 6, 27 |
1556592 | CIF | C29 H44 Cl F6 N3 O1.5 P Rh | P b c n | 12.1218; 19.268; 28.333 90; 90; 90 | 6617.5 | Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L. Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature Inorganics, 2018, 6, 27 |
1556593 | CIF | C23 H30 N2 | P b c n | 15.7258; 7.9668; 16.0813 90; 90; 90 | 2014.7 | Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P. Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes Inorganics, 2018, 6, 28 |
1556657 | CIF | C24 H37 B Ru2 S6 | P b c n | 34.157; 8.5558; 19.8431 90; 90; 90 | 5799 | Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S. Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe) Inorganics, 2019, 7, 21 |
1556849 | CIF | C16 H6 F6 N2 O2 | P b c n | 11.7327; 9.6358; 13.0361 90; 90; 90 | 1473.8 | Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl Polymer Chemistry, 2020, 11, 784-788 |
1556992 | CIF | C18 H16 O4 | P b c n | 9.7263; 11.8883; 24.935 90; 90; 90 | 2883.2 | Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light Chemical Science, 2020, 11, 2130-2135 |
1556996 | CIF | Ca H14 O24 Si5 U2 | P b c n | 18.3; 14.2331; 17.9192 90; 90; 90 | 4667.3 | Plasil, J.; Fejfarova, K.; Cejka, J.; Dusek, M.; Skoda, R.; Sejkora, J. Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O American Mineralogist, 2013, 98, 718-723 |
1557372 | CIF | C20 H12 S | P b c n | 21.4461; 8.4399; 7.3436 90; 90; 90 | 1329.21 | Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers Chemical Science, 2020, 11, 3418-3426 |
1557642 | CIF | C18 H26 Cl N3 | P b c n | 22.502; 12.689; 12.952 90; 90; 90 | 3698 | C. Courseille; B. Busetta; M. Hospital 7-CHLORO-4(4-DIETHYLAMINO-1-METHYLBUTYL-AMINO) QUINOLINE, C18H26CLN3 (CHLOROQUINE BASE) Crystal Structure Communications, 1973, 2, 283-286 |
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