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 |
---|---|---|---|---|---|---|
1000067 | CIF | Li O6 Sb W | P b c n | 4.6664; 17.4435; 4.9941 90; 90; 90 | 406.5 | Le Bail, A; Duroy, H; Fourquet, J L Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction Materials Research Bulletin, 1988, 23, 447-452 |
1000090 | CIF | F5 Fe K2 | P b c n | 7.4059; 12.8771; 20.4282 90; 90; 90 | 1948.2 | Le Bail, A; Desert, A; Fourquet, J L Reinvestigation of the structure of K~2~FeF~5~ Journal of Solid State Chemistry, 1990, 84, 408-412 |
1000225 | CIF | D4 F6 Fe Mn N | P b c n | 7.7947; 12.8133; 10.5244 90; 90; 90 | 1051.1 | Leblanc, M; Ferey, G; de Pape, R; Pannetier, J Nuclear and magnetic structures of N D~4~ Mn Fe F~6~ at 4.2 K. Solid State Communications, 1986, 165, 169-369 |
1000235 | CIF | F5 Fe H10 N2 O | P b c n | 10.491; 8.09; 7.997 90; 90; 90 | 678.7 | Fourquet, J L; Plet, F; Calage, Y Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O) Journal of Solid State Chemistry, 1988, 74, 34-38 |
1000326 | CIF | F12 In2 Li4 Zn | P b c n | 4.7496; 17.606; 5.0617 90; 90; 90 | 423.3 | Maguer, J J; Courbion, G A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~ Journal of Solid State Chemistry, 1993, 103, 466-471 |
1000330 | CIF | C2 Ba2 F3 O6 Y | P b c n | 9.458; 6.966; 11.787 90; 90; 90 | 776.6 | Mercier, N; Leblanc, M Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd) European Journal of Solid State Inorganic Chemistry, 1991, 28, 727-735 |
1000331 | CIF | C2 Ba2 F3 Gd O6 | P b c n | 9.513; 6.978; 11.864 90; 90; 90 | 787.6 | Mercier, N; Leblanc, M Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd) European Journal of Solid State Inorganic Chemistry, 1991, 28, 727-735 |
1000481 | CIF | Ba F5 Fe H2 O | P b c n | 10.314; 7.317; 13.463 90; 90; 90 | 1016 | Fourquet, J L; Duroy, H Crystal Structures of Ba Fe F5 * H2 O European Journal of Solid State Inorganic Chemistry, 1989, 26, 413-418 |
1001642 | CIF | K2 Mo2 O11 P2 | P b c n | 9.314; 8.8679; 10.954 90; 90; 90 | 904.8 | Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7 Journal of Solid State Chemistry, 1995, 114, 481-485 |
1001835 | CIF | Ca Cl2 H4 O2 | P b c n | 5.893; 7.469; 12.07 90; 90; 90 | 531.3 | Leclaire, A.; Borel, M. M. Le dichlorure de calcium dihydrate Acta Crystallographica, Section B, 1977, 33, 1608-1610 |
1006088 | CIF | Cu Nb2 O6 | P b c n | 14.097; 5.613; 5.123 90; 90; 90 | 405.4 | Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H Structural relations in mixed oxides Cux Zn1-x Nb2 O6 Journal of Solid State Chemistry, 1995, 115, 476-483 |
1006089 | CIF | Cu0.36 Nb2 O6 Zn0.64 | P b c n | 14.187; 5.73; 5.031 90; 90; 90 | 409 | Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H Structural relations in mixed oxides Cux Zn1-x Nb2 O6 Journal of Solid State Chemistry, 1995, 115, 476-483 |
1008066 | CIF | Fe O4 U | P b c n | 4.888; 11.937; 5.11 90; 90; 90 | 298.2 | Bachmann, M; Bertaut, E F Structure du nouveau compose U Fe O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1967, 90, 257-258 |
1008067 | CIF | Cr O4 U | P b c n | 4.871; 11.787; 5.053 90; 90; 90 | 290.1 | Bacmann, M; Bertaut, E F Structure de U Cr O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1964, 87, 275-276 |
1008069 | CIF | Cr O4 U | P b c n | 4.871; 11.787; 5.053 90; 90; 90 | 290.1 | Bacmann, M; Bertaut, E F; Bassi, G Parametres atomiques et structure magnetique de U Cr O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1965, 88, 214-218 |
1008356 | CIF | Fe Nb2 O6 | P b c n | 14.2661; 5.7334; 5.0495 90; 90; 90 | 413 | Bordet, P; McHale, A; Santoro, A; Roth, R S Powder neutron diffraction study of Zr Ti O~4~, Zr~5~ Ti~7~ O~24~ and Fe Nb~2~ O~6~ Journal of Solid State Chemistry, 1986, 64, 30-46 |
1008697 | CIF | O24 Ti7.24 Zr4.76 | P b c n | 14.3574; 5.3247; 5.02 90; 90; 90 | 383.8 | Bordet, P; McHale, A; Santoro, A; Roth, R S Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 Journal of Solid State Chemistry, 1986, 64, 30-46 |
1008745 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.5 | Klein, S; Weitzel, H Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit Acta Crystallographica A (24,1968-38,1982), 1976, 32, 587-591 |
1008790 | CIF | O2 Ti0.5 Zr0.5 | P b c n | 4.8042; 5.4825; 5.0313 90; 90; 90 | 132.5 | Bordet, P; McHale, A; Santoro, A; Roth, R S Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 Journal of Solid State Chemistry, 1986, 64, 30-46 |
1008828 | CIF Paper | Fe1.78 Ge2.11 Mg0.11 O9 Pb2 | P b c n | 7.1486; 11.163; 10.145 90; 90; 90 | 809.6 | Barbier, J; Levy, D Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite Acta Crystallographica Section C, 1998, 54, 2-5 |
1100161 | CIF | C12 H19 N4 O6.5 Zn | P b c n | 20.4557; 10.4408; 15.0918 90; 90; 90 | 3223.2 | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' Polyhedron, 2004, 23, 1505-1518 |
1100211 | CIF | C12 H33 I N P Si2 | P b c n | 25.54; 13.223; 11.653 90; 90; 90 | 3935.4 | Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K. Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^ Zeitschrift für Anorganische und Allgemeine Chemie, 2000, 626, 775-783 |
1100256 | CIF | C108 H198 K4 N4 O2 P6 | P b c n | 29.4359; 20.482; 18.9377 90; 90; 90 | 11417.7 | Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 473-479 |
1100371 | CIF | C40 H64 Li2 N2 O13 S2 | P b c n | 11.825; 21.268; 18.597 90; 90; 90 | 4677.04 | Boche, Gernot; Boie, Christiane; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael [(N-Lithio-N-mesitylsulfonyloxy-tert-butylcarbamate)~2~·(thf)~3~]: Crystal Structure of a Nitrenoid Angewandte Chemie, International Edition in English, 1994, 33, 115-117 |
1100425 | CIF | C33 H33 B Cr2 O6 | P b c n | 33.631; 12.174; 15.285 90; 90; 90 | 6258.04 | Elschenbroich, Christoph; Kühlkamp, Peter; Behrendt, Andreas; Harms, Klaus Metall-π-Komplexe von Benzolderivaten, 49. Halbsandwichkomplexe des Trimesitylborans Mes~3~B: Darstellung und Struktur von Mes~2~B[(η^6^-Mes)Cr(CO)~3~], MesB[(η^6^-Mes)Cr(CO)~3~]~2~ und B[(η^6^-Mes)Cr(CO)~3~]~3~. Redoxverhalten und Fragen der intramolekularen Wechselwirkung Chemische Berichte, 1996, 129, 859-869 |
1100551 | CIF | C24 H72 N6 P4 Si4 Zn3 | P b c n | 11.647; 17.897; 23.513 90; 90; 90 | 4901.2 | Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K. Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1434-1442 |
1100562 | CIF | C14 H42 N2 Si5 | P b c n | 14.878; 12.994; 12.597 90; 90; 90 | 2435.31 | Mommertz, Andreas; Geiseier, Gertraud; Harms, Klaus; Dehnicke, Kurt Kristallstrukturen von Me~2~Si[N(SiMe~3~)~2~]~2~ und [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~ / Crystal Structures of Me~2~Si[N(SiMe~3~)~2~]~2~ and [Me~2~Si(NPh)(NHPh)Li·OEt~2~]~2~ Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, 1998, 53, 977-980 |
1100975 | CIF | C16 H20 Cl4 N8 Zn2 | P b c n | 11.747; 13.566; 14.367 90; 90; 90 | 2289.5 | Ruili Sang; Li Xu A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties Inorganic Chemistry, 2005, 44, 3731-3737 |
1101136 | CIF | C28 H36 Ag4 N16 O13 S3 | P b c n | 16.778; 18.433; 13.403 90; 90; 90 | 4145 | Juan M. Salas; M. Angustias Romero; Abderrahman Rahmani; Miguel Quirós Dimeric complexes generated by the reaction of 5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine and silver sulphate: X-ray evidence of the coexistence of two different dimers in the same crystal Anales de Quimica, International Edition, 1996, 92, 249-254 |
1101137 | CIF | C14 H16 N8 O3 Pt S | P b c n | 14.207; 15.187; 17.165 90; 90; 90 | 3703.5 | Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}} Inorganic Chemistry, 1996, 35, 7829-7835 |
1502107 | CIF | C13 H16 O4 | P b c n | 13.5; 15.178; 11.351 90; 90; 90 | 2325.9 | Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo Regiocontrolled rearrangement of isobenzofurans. Organic letters, 2011, 13, 2086-2089 |
1502177 | CIF | C40 H58 O2 S2 | P b c n | 9.585; 15.461; 23.811 90; 90; 90 | 3528.6 | Hachiya, Makoto; Ito, Mikinao; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei Air- and moisture-stable p-monothiobenzoquinones incorporated in an octaalkyl-s-hydrindacene skeleton. Organic letters, 2011, 13, 2666-2669 |
1502676 | CIF | B H7 N2 | P b c n | 12.974; 5.0702; 9.5069 90; 90; 90 | 625.37 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
1503091 | CIF | C25 H16 Fe N2 O2 | P b c n | 27.672; 10.248; 13.417 90; 90; 90 | 3804.8 | Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava Specific recognition and sensing of CN- in sodium cyanide solution. Organic letters, 2010, 12, 3406-3409 |
1503161 | CIF | C27 H23 N2 O4.5 | P b c n | 11.301; 17.774; 22.517 90; 90; 90 | 4522.9 | Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin An efficient synthesis of hydantoins via sustainable integration of coupled domino processes. Organic letters, 2010, 12, 4026-4029 |
1503246 | CIF | C19 H19 Br O2 | P b c n | 25.683; 12.1372; 11.0178 90; 90; 90 | 3434.5 | Tang, Xiang-Ying; Wei, Yin; Shi, Min Thermally induced electrocyclic reaction of methylenecyclopropane methylene diketone derivatives: a facile method for the synthesis of spiro[2.5]octa-3,5-dienes. Organic letters, 2010, 12, 5120-5123 |
1503476 | CIF | C48 H36 N2 O2 | P b c n | 11.4305; 25.443; 12.0501 90; 90; 90 | 3504.5 | Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties. Organic letters, 2012, 14, 288-291 |
1503629 | CIF | C20 H22 N2 O5 | P b c n | 15.278; 15.133; 15.916 90; 90; 90 | 3679.8 | Chen, Fei; Feng, Zhang; He, Chun-Yang; Wang, Hao-Yang; Guo, Yin-Long; Zhang, Xingang Pd-catalyzed dehydrogenative cross-coupling of polyfluoroarenes with heteroatom-substituted enones. Organic letters, 2012, 14, 1176-1179 |
1503950 | CIF | C57.5 H40.5 Cl I2 O | P b c n | 32.948; 17.014; 31.987 90; 90; 90 | 17931 | Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L. Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60). Organic letters, 2009, 11, 2527-2530 |
1504104 | CIF | C27 H24 N2 O3 | P b c n | 33.2133; 7.9061; 17.9377 90; 90; 90 | 4710.2 | Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties. Organic letters, 2009, 11, 4064-4067 |
1504370 | CIF | C5 H7 O2 | P b c n | 9.064; 9.227; 11.456 90; 90; 90 | 958.1 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
1504371 | CIF | C5 H7 O2 | P b c n | 9.062; 9.216; 11.411 90; 90; 90 | 953 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
1504372 | CIF | C5 H7 O2 | P b c n | 9.079; 9.247; 11.464 90; 90; 90 | 962.4 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
1504373 | CIF | C5 H7 O2 | P b c n | 9.099; 9.225; 11.495 90; 90; 90 | 964.9 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
1504374 | CIF | C5 H7 O2 | P b c n | 9.12; 9.359; 11.817 90; 90; 90 | 1008.6 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
1504375 | CIF | C10 H14 O4 | P b c n | 9.0859; 9.2413; 11.465 90; 90; 90 | 962.7 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
1504710 | CIF | C28 H28 N9.33 | P b c n | 27.601; 15.053; 9.1793 90; 90; 90 | 3813.8 | Zhang, En-Xuan; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang Synthesis of large macrocyclic azacalix[n]pyridines (n = 6 - 9) and their complexation with fullerenes C(60) and C(70). Organic letters, 2008, 10, 2565-2568 |
1504787 | CIF | C26 H10 S8 | P b c n | 18.403; 8.002; 14.417 90; 90; 90 | 2123.1 | Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C. Tetrathiophenalenyl radical and its disulfide-bridged dimer. Organic letters, 2008, 10, 3121-3123 |
1504913 | CIF | C94 H76 Cl4 N8 O8 | P b c n | 22.06; 12.69; 29.55 90; 90; 90 | 8272 | Ikeda, Chusaku; Sakamoto, Naoya; Nabeshima, Tatsuya Synthesis and guest recognition ability of 2,3-dimethoxy-1,4-phenylene-containing porphyrinoids. Organic letters, 2008, 10, 4601-4604 |
1505159 | CIF | C22 H30 N2 S3 | P b c n | 38.741; 12.0548; 9.6188 90; 90; 90 | 4492.1 | Pang, Hao; Skabara, Peter J.; Crouch, David J.; Duffy, Warren; Heeney, Martin; McCulloch, Iain; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B. Structural and Electronic Effects of 1,3,4-Thiadiazole Units Incorporated into Polythiophene Chains Macromolecules, 2007, 40, 6585 |
1505160 | CIF | C22 H30 N2 S Se2 | P b c n | 38.796; 12.1462; 9.6432 90; 90; 90 | 4544.1 | Pang, Hao; Skabara, Peter J.; Crouch, David J.; Duffy, Warren; Heeney, Martin; McCulloch, Iain; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B. Structural and Electronic Effects of 1,3,4-Thiadiazole Units Incorporated into Polythiophene Chains Macromolecules, 2007, 40, 6585 |
1505381 | CIF | C28 H35 N3 O2 S | P b c n | 17.22; 11.154; 27.154 90; 90; 90 | 5215.5 | Xu, Xiaoliang; Cheng, Dongping; Li, Jinghua; Guo, Hongyun; Yan, Jie Copper-catalyzed highly efficient multicomponent reactions: synthesis of 2-(sulfonylimino)-4-(alkylimino)azetidine derivatives. Organic letters, 2007, 9, 1585-1587 |
1505766 | CIF | C20 H4 Cs Er F24 O8 | P b c n | 8.534; 21.189; 17.251 90; 90; 90 | 3119 | Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P. Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds. The journal of physical chemistry. B, 2006, 110, 24476-24479 |
1506187 | CIF | C32 H40 O6 | P b c n | 26.12; 9.092; 11.853 90; 90; 90 | 2814.9 | Bérubé, Amélie; Drutu, Ioana; Wood, John L. Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction. Organic letters, 2006, 8, 5421-5424 |
1506707 | CIF | C32 H28 Cl4 N4 O4 | P b c n | 20.395; 11.2144; 13.2709 90; 90; 90 | 3035.3 | Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings. Organic letters, 2005, 7, 4843-4846 |
1507216 | CIF | C22 H16 N6 O10 | P b c n | 15.0526; 7.086; 22.0077 90; 90; 90 | 2347.4 | Akutagawa, Tomoyuki; Uchimaru, Tadafumi; Sakai, Ken-ichi; Hasegawa, Tatsuo; Nakamura, Takayoshi Bidentated Hydrogen Bond from [O−H···N−N···H−O] to [O-···+H−N−N−H+···-O] Structures in Solids The Journal of Physical Chemistry B, 2003, 107, 6248 |
1507378 | CIF | C22 H24 N2 O4 S2 | P b c n | 11.994; 11.904; 15.388 90; 90; 90 | 2197 | Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki Absolute helical arrangement of sulfonamide in the crystal. Organic letters, 2003, 5, 3939-3942 |
1507782 | CIF | C44 H32 Cl4 Cu2 N4 O4 | P b c n | 12.891; 13.324; 23.68 90; 90; 90 | 4067 | Selvakumar, P M; Nadella, N; Prathap, K J; Kureshy, R I; Suresh, E; Subramanian, P S Synthesis, Crystal Structure and Catalytic studies on Dinuclear Cu(II)-Mesocates Inorganica Chimica Acta, 2011, 375, 106-113 |
1507870 | CIF | C18 H28 N2 O3 | P b c n | 18.1522; 11.5989; 18.603 90; 90; 90 | 3916.8 | Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R. A simple chiral recognition system to investigate substituent effects on π-π interactions. Organic letters, 2012, 14, 3442-3445 |
1507924 | CIF | C25 H20 O6 | P b c n | 10.329; 14.725; 26.376 90; 90; 90 | 4011.6 | Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity Inorganica Chimica Acta, 2012, 391, 189-194 |
1508032 | CIF | C24 N3 O40 P V2 W10 | P b c n | 15.5486; 21.1547; 23.1083 90; 90; 90 | 7600.92 | Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate. Nature chemistry, 2010, 2, 478-483 |
1508363 | CIF | C94 H88 N24 Ni6 O19 S2 | P b c n | 15.525; 22.703; 31.993 90; 90; 90 | 11276.4 | Zheng, Xiao-Feng; Zhu, Long-Guan An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O Crystals, 2011, 1, 120-127 |
1508916 | CIF | C18 H18 Cu N6 S2 | P b c n | 31.372; 7.5677; 7.9918 90; 90; 90 | 1897.4 | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. Journal of medicinal chemistry, 2013, 56, 722-734 |
1509212 | CIF | Ag B O2 | P b c n | 8.441; 8.68; 19.741 90; 90; 90 | 1446.38 | Brachtel, G.; Jansen, M. Silber(I)-metaborat, Ag B O2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1981, 478, 13-19 |
1510039 | CIF | Ag3 S2 Tl | P b c n | 8.1597; 8.7932; 7.0278 90; 90; 90 | 504.244 | Elfwing, T.; Eriksson, L. Synthesis and crystal structure determination of TlAg~3~S~2~ Materials Science Forum, 1994, 683-686 |
1510398 | CIF | Au2 Eu4 O9 | P b c n | 11.8241; 5.9922; 11.8013 90; 90; 90 | 836.15 | Jansen, M.; Figulla-Kroschel, C. Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2178-2184 |
1510407 | CIF | Au2 F9 Lu | P b c n | 10.9928; 9.007; 21.515 90; 90; 90 | 2130.25 | Engelmann, U.; Mueller, B.G. Tetrafluoroaurate(III) der Lanthaniden MF(AuF4)2 (M = Tm, Yb, Lu) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1661-1668 |
1510408 | CIF | Au2 F9 Tm | P b c n | 11.0292; 9.0438; 21.6446 90; 90; 90 | 2158.96 | Mueller, B.G.; Engelmann, U. Tetrafluoroaurate(III) der Lanthaniden M F (Au F4)2 (M= Tm, Yb, Lu) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1661-1668 |
1510409 | CIF | Au2 F9 Yb | P b c n | 11.0098; 9.0223; 21.5736 90; 90; 90 | 2142.99 | Engelmann, U.; Mueller, B.G. Tetrafluoroaurate(III) der Lanthaniden MF(AuF4)2 (M = Tm, Yb, Lu) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1661-1668 |
1510442 | CIF | Au2 La4 O9 | P b c n | 12.1216; 6.3199; 12.1067 90; 90; 90 | 927.462 | Ralle, M.; Jansen, M. Darstellung und Kristallstruktur des neuen Lanthanaurates La4 Au2 O9 Journal of Alloys Compd., 1994, 203, 7-13 |
1510450 | CIF | Au2 Nd4 O9 | P b c n | 11.9813; 6.1474; 11.9641 90; 90; 90 | 881.202 | Figulla-Kroschel, C.; Jansen, M. Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2178-2184 |
1510453 | CIF | Au2 O9 Sm4 | P b c n | 11.8689; 6.036; 11.8469 90; 90; 90 | 848.72 | Figulla-Kroschel, C.; Jansen, M. Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2178-2184 |
1510567 | CIF | Au5 Na7 S6 | P b c n | 10.424; 7.024; 22.27 90; 90; 90 | 1630.57 | Brunnbauer, G.; Klepp, K.O. Na7Au5S6 - a novel thioaurate(I) based on a b.c.c. chalcogen packing Journal of Alloys Compd., 1992, 183, 252-262 |
1512618 | CIF | C64 H64 N2 O2 Zn | P b c n | 21.925; 16.424; 16.866 90; 90; 90 | 6073.4 | Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof Inorganica Chimica Acta, 2012, 392, 292-299 |
1512659 | CIF | C29 H22 Cl2 Cu N6 O8 | P b c n | 28.604; 16.487; 12.638 90; 90; 90 | 5960 | Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions Inorganica Chimica Acta, 2012, 392, 465-468 |
1512660 | CIF | C94 H68 Cl6 Cu3 N18 O24 | P b c n | 46.466; 16.21; 12.543 90; 90; 90 | 9448 | Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions Inorganica Chimica Acta, 2012, 392, 465-468 |
1512694 | CIF | C40 H56 N4 O14 Pt2 | P b c n | 20.459; 10.684; 20.362 90; 90; 90 | 4451 | Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand) Inorganica Chimica Acta, 2012, 393, 65-76 |
1512713 | CIF | C16 H12 N2 O8 Zn | P b c n | 14.3015; 7.1697; 15.1451 90; 90; 90 | 1552.9 | Yong-Qing Huang; Yan-Hua Wang; Yue Zhao; Qian Zhao; Yang Yang; Wei Zhao; Qian Shao Syntheses, structures and photoluminescent properties of three new coordination polymers based on semirigid zwitterionic ligand Inorganica Chimica Acta, 2012, 393, 164-170 |
1512823 | CIF | C37 H48 N4 Ni2 O9 S2 | P b c n | 13.8664; 14.8691; 21.014 90; 90; 90 | 4332.7 | Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace Polynuclear nickel(II) complexes with salicylaldimine derivative ligands Inorganica Chimica Acta, 2013, 394, 741-746 |
1512930 | CIF | C12 H24 Br3 O3 Sc | P b c n | 8.783; 13.884; 14.54 90; 90; 90 | 1773.1 | Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre Structural characterization of methanol substituted lanthanum halides Polyhedron, 2010, 29, 1784-1795 |
1513005 | CIF | C21 H31 Cu2 Mo5 N14 O23 P2 | P b c n | 8.8032; 23.534; 20.553 90; 90; 90 | 4258.1 | Jency Thomas; Dinesh Kumar; Arunachalam Ramanan Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature Inorganica Chimica Acta, 2013, 396, 126-135 |
1513179 | CIF | C16 H12 Cl N3 O3 Zn | P b c n | 20.452; 7.2803; 21.203 90; 90; 90 | 3157.1 | Fei Yuan; Qiao-E Zhu; Huai-Ming Hu; Juan Xie; Bing Xu; Chun-Mei Yuan; Meng-Lin Yang; Fa-Xin Dong; Gang-Lin Xue Three novel coordination polymers based on bifunctionalized ligand 4'-carboxy-4,2':6',4'-terpyridine Inorganica Chimica Acta, 2013, 397, 117-123 |
1513245 | CIF | C11 H14 O2 | P b c n | 44.087; 7.0736; 6.2427 90; 90; 90 | 1946.8 | Cornella, Josep; Martin, Ruben Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures. Organic letters, 2013, 15, 6298-6301 |
1513281 | CIF | C30 H28 B10 | P b c n | 11.167; 7.445; 32.828 90; 90; 90 | 2729 | Kokado, Kenta; Tokoro, Yuichiro; Chujo, Yoshiki Luminescentm-Carborane-Based π-Conjugated Polymer Macromolecules, 2009, 42, 2925 |
1513387 | CIF | C21 H34 O5 | P b c n | 23.5047; 13.3187; 13.1615 90; 90; 90 | 4120.2 | He, Shuzhong; Yang, Wei; Zhu, Lizhi; Du, Guangyan; Lee, Chi-Sing Bioinspired Total Synthesis of (±)-Yezo'otogirin C. Organic letters, 2014, 16, 496-499 |
1513558 | CIF | C74 H83 F6 N7 O15 P | P b c n | 19.2525; 26.897; 16.0354 90; 90; 90 | 8303.7 | Wei, Peifa; Li, Jinying; Yan, Xuzhou; Zhou, Qizhong Metallosupramolecular poly[2]pseudorotaxane constructed by metal coordination and crown-ether-based molecular recognition. Organic letters, 2014, 16, 126-129 |
1515117 | CIF | C10 H10 B2 N2 | P b c n | 19.076; 9.301; 10.997 90; 90; 90 | 1951.2 | Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825 |
1515267 | CIF | C32 H28 N6 Si | P b c n | 20.8494; 10; 13.5537 90; 90; 90 | 2825.9 | Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission Chemical Science, 2012, 3, 2737 |
1515360 | CIF | C13 H19 Cl N2 S | P b c n | 13.987; 8.17; 24.959 90; 90; 90 | 2852 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515412 | CIF | C24 H34 | P b c n | 10.5317; 13.1456; 13.7434 90; 90; 90 | 1902.71 | Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S. Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes Chemical Science, 2011, 2, 229 |
1515911 | CIF | C29 H22 F6 S2 | P b c n | 22.339; 10.971; 10.585 90; 90; 90 | 2594.2 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
1515912 | CIF | C29 H22 F6 S2 | P b c n | 22.3; 11.026; 10.542 90; 90; 90 | 2592 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
1515913 | CIF | C27 H20 F6 N2 S2 | P b c n | 21.5461; 10.8096; 10.8098 90; 90; 90 | 2517.7 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
1515914 | CIF | C27 H20 F6 N2 S2 | P b c n | 21.586; 10.8692; 10.7268 90; 90; 90 | 2516.7 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
1515916 | CIF | C31 H26 F6 S2 | P b c n | 21.307; 12.193; 10.669 90; 90; 90 | 2771.8 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
1516103 | CIF | C18 H24 N2 O | P b c n | 18.945; 8.6958; 20.3655 90; 90; 90 | 3355.1 | Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes. Organic letters, 2012, 14, 5082-5085 |
1516377 | CIF | C22 H18 N2 | P b c n | 12.7108; 7.8485; 34.116 90; 90; 90 | 3403.4 | Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877 |
1516506 | CIF | C28 H24 Cl2 F6 N6 O3 P Ru | P b c n | 14.1173; 15.5837; 28.1669 90; 90; 90 | 6196.71 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
1516584 | CIF | C24 H12 Se2 | P b c n | 28.5952; 7.5369; 15.6922 90; 90; 90 | 3382 | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255 |
1516657 | CIF | C28 H18 N4 O2 | P b c n | 11.3862; 10.0904; 18.8335 90; 90; 90 | 2163.81 | Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes. Organic letters, 2007, 9, 235-238 |
1516855 | CIF | C14 H24 B2 Fe N6 O6 | P b c n | 19.9212; 8.2523; 23.3202 90; 90; 90 | 3833.7 | Yan Z. Voloshin; Andrey Y. Lebedev; Valentin V. Novikov; Alexander V. Dolganov; Anna V. Vologzhanina; Ekaterina G. Lebed; Alexander A. Pavlov; Zoya A. Starikova; Michail I. Buzin; Yurii N. Bubnov Template synthesis, X-ray structure, spectral and redox properties of the paramagnetic alkylboron-capped cobalt(II) clathrochelates and their diamagnetic iron(II)-containing analogs Inorganica Chimica Acta, 2013, 399, 67-78 |
1517034 | CIF | C12 H8 N4 Ni | P b c n | 14.173; 10.1535; 15.833 90; 90; 90 | 2278.5 | Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties Inorganica Chimica Acta, 2013, 402, 1-5 |
1517127 | CIF | C16 H18 Br2 Nb O4 | P b c n | 11.8; 6.913; 20.7381 90; 90; 90 | 1691.7 | Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity Inorganica Chimica Acta, 2013, 402, 109-115 |
1517390 | CIF | C22 H18 B2 F8 N2 | P b c n | 22.1736; 8.6842; 10.5294 90; 90; 90 | 2027.54 | Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney Photophysical and Electrochemical Characterization of a Helical Viologen, N,N'-Dimethyl-5,10-diaza[5]helicene. Organic letters, 2014, 16, 4610 |
1517573 | CIF | C28 H34 Cd N4 O4 | P b c n | 9.2186; 17.128; 17.041 90; 90; 90 | 2690.7 | Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates Inorganica Chimica Acta, 2013, 403, 25-34 |
1517662 | CIF | C16 H13 N O4 S | P b c n | 18.8157; 10.5029; 15.0591 90; 90; 90 | 2976 | Reddy, Mallu Chenna; Jeganmohan, Masilamani Ruthenium-Catalyzed Cyclization of Aromatic Nitriles with Alkenes: Stereoselective Synthesis of (Z)-3-Methyleneisoindolin-1-ones. Organic letters, 2014, 16, 4866-4869 |
1517683 | CIF | C40 H36 Ag6 F10.5 N12 O16 S4.5 | P b c n | 12.772; 35.464; 25.664 90; 90; 90 | 11624 | He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci., 2015, 6, 654 |
1517705 | CIF | C16 H20 Cl2 N8 O2 Zn | P b c n | 7.4381; 11.6257; 23.9731 90; 90; 90 | 2073.03 | Bozidar Cobeljic; Andrej Pevec; Iztok Turel; Marcel Swart; Dragana Mitic; Marina Milenkovic; Ivanka Markovic; Maja Jovanovic; Dusan Sladic; Marko Jeremic; Katarina Andelkovic Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide Inorganica Chimica Acta, 2013, 404, 5-12 |
1517719 | CIF | C27 H19.5 Cd2 N3 O10.25 | P b c n | 7.4378; 20.871; 33.529 90; 90; 90 | 5204.9 | Julie A. Wilson; Peter E. Kraft; Robert L. LaDuca Dipyridylamide isomer influenced dimensionality in luminescent cadmium phthalate coordination polymers with similar tetranuclear clusters and ribbon motifs Inorganica Chimica Acta, 2013, 404, 97-104 |
1517730 | CIF | Nb1.91 O12 P2.82 | P b c n | 12.0819; 8.6848; 8.7452 90; 90; 90 | 917.62 | Zah-Letho, J.J.; Verbaere, A.; Jouanneaux, A.; Taulelle, F.; Piffard, Y.; Tournoux, M. "Nb2-x P3-y O12", a novel Nb(V) oxophosphate with disordered cation vacancies in a Sc2 (W O4)3 - type structure Journal of Solid State Chemistry, 1995, 116, 335-342 |
1518113 | CIF | Cr3 O12 Tl2 | P b c n | 12.869; 8.716; 8.6989 90; 90; 90 | 975.7 | Riou, A.; Gerault, Y.; Cudennec, Y. Determination structurale du chromate de thallium trivalent Tl2(CrO4)3 Revue de Chimie Minerale, 1986, 23, 70-79 |
1518154 | CIF | C22 H22.5 B Cl Cr F4 N4.5 O3 | P b c n | 14.5572; 13.9044; 24.0822 90; 90; 90 | 4874.5 | Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions Chem. Sci., 2015, 6, 945 |
1518177 | CIF | C51 H44 F12 N6 O13 P2 | P b c n | 16.4977; 18.1051; 19.5351 90; 90; 90 | 5835 | Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke [2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs. Organic letters, 2014, 16, 5894-5897 |
1518212 | CIF | C24 H18 Au N3 O4 | P b c n | 11.1263; 14.1527; 26.2319 90; 90; 90 | 4130.7 | Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G. Suzuki‒Miyaura coupling of arylboronic acids to gold(iii) Chem. Sci., 2015, 6, 981 |
1518505 | CIF | C21 H24 N2 Se | P b c n | 16.043; 7.3937; 16.055 90; 90; 90 | 1904.4 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
1518508 | CIF | C21 H26 N2 Se | P b c n | 15.9194; 7.4418; 16.1915 90; 90; 90 | 1918.2 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
1518806 | CIF | C43 H59 F9 Mo2 N2 O9 | P b c n | 32.864; 16.0484; 18.474 90; 90; 90 | 9743.5 | Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten Inorganica Chimica Acta, 2015, 424, 120-128 |
1518881 | CIF | C30 H33 B N2 Si | P b c n | 21.8109; 13.5026; 17.5034 90; 90; 90 | 5154.8 | Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R. Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization Polym. Chem., 2015, 6, 3290 |
1518907 | CIF | C34 H16 O2 | P b c n | 18.9562; 15.493; 14.8168 90; 90; 90 | 4351.5 | Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties Chem. Sci., 2015, 6, 3402 |
1518995 | CIF | C15 H21 N O4 S | P b c n | 16.428; 13.329; 14.387 90; 90; 90 | 3150 | Zhu, Haitao; Chen, Pinhong; Liu, Guosheng Palladium-catalyzed intramolecular aminoacetoxylation of unactivated alkenes with hydrogen peroxide as oxidant. Organic letters, 2015, 17, 1485-1488 |
1519030 | CIF | K12 Se35 Ta6 | P b c n | 8.339; 13.259; 56.023 90; 90; 90 | 6194 | Tougait, O.; Ibers, J. A. New tantalum polychalcogenides with infinite anionic chains : K12Ta6Se35 and KTaTe3 Solid State Sciences, 1999, 1, 523-534 |
1519171 | CIF | C25 H20 Fe2 S5 | P b c n | 15.6; 10.877; 13.193 90; 90; 90 | 2238.6 | Underhill, Allan E.; Hibbs, Dai E.; Hursthouse, Michael B. C25H20Fe2S5 Crystal Structure Report Archive, 1996, 790 |
1519178 | CIF | C8 H8 Cl N O | P b c n | 22.689; 10.283; 6.571 90; 90; 90 | 1533.09 | Hibbs, D. E.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Roberts, S. M.; Gregory, R. J. H. 7-Chloro-6-cyano-6-hydroxybicyclo(3.2.0)hept-2-ene Crystal Structure Report Archive, 1997, 104 |
1519202 | CIF | C34 H28 Cl3 Fe O P2 Re | P b c n | 9.419; 15.687; 22.166 90; 90; 90 | 3275.2 | Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B. C34H28Cl3FeOP2Re Crystal Structure Report Archive, 1998, 767 |
1519273 | CIF | C13 H10 O S4 | P b c n | 14.5002; 13.4816; 7.0091 90; 90; 90 | 1370.18 | Murphy, P. J.; Gelbrich, Thomas; Hursthouse, Michael B. C13H10OS4 Crystal Structure Report Archive, 2000, 824 |
1519292 | CIF | C45 H31.5 N7.5 O9 | P b c n | 32.285; 11.8982; 19.8475 90; 90; 90 | 7624.1 | Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S. N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide Crystal Structure Report Archive, 2001, 120 |
1519425 | CIF | C36 H34 Cu2 N8 O6 | P b c n | 14.1161; 15.8051; 14.538 90; 90; 90 | 3243.5 | Moore, Cameron M.; Szymczak, Nathaniel K. Nitrite reduction by copper through ligand-mediated proton and electron transfer Chem. Sci., 2015, 6, 3373 |
1519703 | CIF | C14 H8 Cu2 N8 O | P b c n | 14.6978; 19.3933; 10.356 90; 90; 90 | 2951.9 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
1519736 | CIF | C44 H36 Cl4 N16 O16 Zn2 | P b c n | 17.648; 12.6089; 22.985 90; 90; 90 | 5114.7 | Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C44H36Cl4N16O16Zn2 Crystal Structure Report Archive, 2004, 990 |
1519737 | CIF | C44 H36 Cl4 Mn2 N16 O16 | P b c n | 17.335; 12.828; 23.107 90; 90; 90 | 5138.4 | Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C44H36Cl4Mn2N16O16 Crystal Structure Report Archive, 2004, 991 |
1519774 | CIF | C36 H40 B4 Fe2 O8 | P b c n | 19.6222; 7.8609; 21.3982 90; 90; 90 | 3300.6 | Aldridge, Simon; Male, Louise; Hursthouse, Michael B. C36H40B4Fe2O8 Crystal Structure Report Archive, 2006, 329 |
1520318 | CIF | C19 H23.6 B F2 N2 O5.3 | P b c n | 12.2584; 10.1061; 31.0115 90; 90; 90 | 3841.8 | Roßbach, Jan; Harms, Klaus; Koert, Ulrich α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements. Organic letters, 2015, 17, 3122-3125 |
1520368 | CIF | C12 H13 N O2 | P b c n | 39.9227; 8.317; 12.9213 90; 90; 90 | 4290.4 | Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B. C12H13NO2 Crystal Structure Report Archive, 2009, 718 |
1520620 | CIF | C26 H60 F N O6 | P b c n | 9.9133; 17.3454; 18.3631 90; 90; 90 | 3157.54 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
1521244 | CIF | Dy0.04 H0.08 Nb0.92 O6 Ti1.08 Y0.96 | P b c n | 14.6673; 5.5925; 5.1888 90; 90; 90 | 425.621 | Johnsen, O.; Stahl, K.; Petersen, O.V.; Micheelsen, H.I. Structure refinement of natural non-metamict polycrase-(Y) from Zomba-Malosa complex, Malawi Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1999, 1999, 1-10 |
1525212 | CIF | Al8.6 Ba3.32 Ca0.32 O96 Si39.9 | P b c n | 17.974; 20.3199; 7.419 90; 90; 90 | 2709.64 | Schlenker, J.L.; Pluth, J.J.; Smith, J.V. Positions of cations and molecules in zeolites with the mordenite-type framework. (VI). Dehydrated barium mordenite Materials Research Bulletin, 1978, 13, 169-174 |
1525215 | CIF | Al8.3 K0.2 Na7.3 O96 Si39.9 | P b c n | 17.92; 20.31; 7.48 90; 90; 90 | 2722.39 | Schlenker, J.L.; Pluth, J.J.; Smith, J.V. Positions of cations and molecules in zeolites with the mordenite-type framework. VIII Dehydrated sodium-exchanged mordenite Materials Research Bulletin, 1979, 14, 751-758 |
1525761 | CIF | H8 Na10 Np2 O40 S9 | P b c n | 27.259; 6.897; 17.721 90; 90; 90 | 3331.64 | Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A. Crystal structure and spectral characteristics of double sodium neptunium(IV) sulfate Radiokhimiya, 2000, 42, 36-39 |
1525833 | CIF | Ge O2 | P b c n | 4.5792; 4.0956; 5.088 90; 90; 90 | 95.423 | Lodziana, Z.; Parlinski, K.; Hafner, J. Ab initio studies of high-pressure transformations in Ge O2 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1341061-1341067 |
1526463 | CIF | Li2.78 O12 P3 V1.8 Zr0.2 | P b c n | 12.1005; 8.6539; 8.6546 90; 90; 90 | 906.28 | Sato, M.; Ohkawa, H.; Yoshida, K.; Saito, M.; Uematsu, K.; Toda, K. Enhancement of discharge capacity of Li3 V2 (P O4)3 by stabilizing the orthorhombic phase at room temperature Solid State Ionics, 2000, 135, 137-142 |
1527175 | CIF | H11 N2 O7.5 S4 Se | P b c n | 20.718; 9.326; 12.59 90; 90; 90 | 2432.59 | Boyum, K.; Maroy, K. The crystal structure of ammonium elenopentathionate hemitrihydrate Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 2569-2579 |
1527315 | CIF | As K | P b c n | 28.3; 11.39; 9.51 90; 90; 90 | 3065.43 | Dunken, H.; Haase, W.; Schöunherr, F. Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; zur Kristallstruktur von Kaliummonohydroxopentafluoroarsenat Zeitschrift für Chemie, 1967, 7, 442-443 |
1527451 | CIF | Mn0.97 Nb0.72 O6 Ta1.28 Ti0.03 | P b c n | 14.413; 5.76; 5.084 90; 90; 90 | 422.068 | Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C. The crystal structures of tantalite, ixiolite and wodginite from Bernic Lake, Manitoba I. tantalite and ixiolite Canadian Mineralogist, 1976, 14, 540-549 |
1527452 | CIF | Mn0.3 Nb0.24 O2 Ta0.42 Ti0.02 | P b c n | 4.785; 5.758; 5.16 90; 90; 90 | 142.168 | Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C. The crystal structures of tantalite, ixiolite and wodginite from bernic lake, manitoba I. Tantalite and ixiolite Canadian Mineralogist, 1976, 14, 540-549 |
1527724 | CIF | D3 K O6 Se2 | P b c n | 16.176; 6.259; 6.309 90; 90; 90 | 638.758 | Lehmann, M.S.; Larsen, F.K. The hydrogen bond system in potassium trihydrogen bis-selenite, K H3 (Se O3)2, and in potassium trideuterio bis- selenite K D3 (Se O3)2, as determined by neutron diffraction Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 3859-3871 |
1527764 | CIF | H3 K2 O7.5 S5 | P b c n | 20.316; 9.229; 12.248 90; 90; 90 | 2296.46 | Maroy, K. The crystal structure of potassium pentathionate hemitrihydrate Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 2580-2590 |
1527765 | CIF | H3 O7.5 Rb2 S4 Te | P b c n | 21.32; 9.446; 12.437 90; 90; 90 | 2504.67 | Maroy, K. The crystal structure of rubidium telluropentathionate hemitrihydrate Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 2557-2568 |
1527881 | CIF | C Mo2 | P b c n | 4.732; 6.037; 5.204 90; 90; 90 | 148.663 | Norlund Christensen, A. A neutron diffraction investigation on a crystal of alpha-Mo2 C Acta Chemica Scandinavica, Series A: (28,1974-), 1977, 31, 509-511 |
1528199 | CIF | As Cu Se | P b c n | 11.75; 6.79; 19.21 90; 90; 90 | 1532.62 | Whitfield, H.J. The crystal structure of hcc-Cu As Se Journal of Solid State Chemistry, 1981, 39, 209-214 |
1528627 | CIF | Ba N2 O2 Si2 | P b c n | 14.3902; 5.3433; 4.83254 90; 90; 90 | 371.58 | Kechele, J.A.; Oeckler, O.; Schnick, W.; Stadler, F. Structure elucidation of Ba Si2 O2 N2 - A host lattice for rare-earth doped luminescent materials in phosphor-converted (pc)-LEDs Solid State Sciences, 2009, 11, 537-543 |
1528870 | CIF | Bi38 Mo7 O78 | P b c n | 28.7058; 16.8493; 16.9376 90; 90; 90 | 8192.25 | Sharma, N.; Chen Yusheng; Christensen, M.; Macquart, R.B.; Avdeev, M.; Ling, C.D. Structure and crystal chemistry of fluorite-related Bi38 Mo7 O78 from single crystal X-ray diffraction and ab initio calculations Journal of Solid State Chemistry, 2009, 182, 1312-1318 |
1529222 | CIF HKL | C8 H20 Ca N4 O11 S2 | P b c n | 12.9805; 8.4004; 17.069 90; 90; 90 | 1861.2 | Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor Calcium and strontium thiobarbiturates with discrete and polymeric structures Journal of Coordination Chemistry, 2013, 66, 4119 |
1529268 | CIF HKL | Mo2 O8 Rb Sm | P b c n | 5.1431; 18.8195; 8.1641 90; 90; 90 | 790.21 | Atuchin, Victor; Chimitova, Olga; Adichtchev, S.; Bazarov, B.; Gavrilova, T.; Molokeev, Maxim; Surovtsev, N.; Bazarova, Zh. Synthesis, structural and vibrational properties of microcrystalline beta-RbSm(MoO4)2 Materials Letters, 2013, 106, 26 |
1529358 | CIF | C6 H8 N8 O5 Zn | P b c n | 9.537; 6.865; 17.12 90; 90; 90 | 1120.9 | 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 |
1529436 | CIF HKL | Mo2 Nd O8 Rb | P b c n | 5.1772; 18.7293; 8.2474 90; 90; 90 | 799.71 | V.V. Atuchin; O.D. Chimitova; T.A. Gavrilova; M.S. Molokeev; Sung-Jin Kim; N.V. Surovtsev; B.G. Bazarov Synthesis, structural and vibrational properties of microcrystalline RbNd(MoO4)2 Journal of Crystal Growth, 2011, 318, 683-686 |
1529763 | CIF | C2 H10 Cl2 Hg N6 S2 | P b c n | 8.675; 8.123; 15.786 90; 90; 90 | 1112.39 | Chieh, C. Synthesis and structure of dichlorobis(thiosemicarbazide) Mercury(II) Canadian Journal of Chemistry, 1977, 55, 1583-1587 |
1529765 | CIF | C2 H10 Br2 Hg N6 S2 | P b c n | 8.825; 8.587; 15.939 90; 90; 90 | 1207.86 | Chieh, C.; Lee, L.P.C.; Chiu, C. Thiosemicarbazide complexes of mercury(II) halides Canadian Journal of Chemistry, 1978, 56, 2526-2529 |
1530007 | CIF | H3 K O6 Se2 | P b c n | 16.15; 6.252; 6.298 90; 90; 90 | 635.908 | Gorbatyii, L.V.; Ponomarev, V.I.; Heiker, D.M. About the crystal structures of the trihydroselenates of potassium K H3 (Se O3)2 and of sodium Na H3 (Se O3)2 Kristallografiya, 1971, 16, 899-904 |
1530026 | CIF | O2 Ti | P b c n | 4.5318; 5.5019; 4.9063 90; 90; 90 | 122.331 | Grey, I.E.; Braunshausen, G.; Li, C.; Madsen, I.C. Ti O2-II. Ambient pressure and structure refinement Materials Research Bulletin, 1988, 23, 743-753 |
1530063 | CIF | Fe Nb O4 | P b c n | 4.6496; 5.6181; 5.0058 90; 90; 90 | 130.761 | Harrison, W.T.A.; Cheetham, A.K. Structural and Magnetic Properties of Fe Nb O4-II Materials Research Bulletin, 1989, 24, 523-527 |
1530113 | CIF | Fe H Na2 O5 P | P b c n | 5.227; 13.861; 11.774 90; 90; 90 | 853.043 | Kabalov, Yu.K.; Belov, N.V.; Simonov, M.A. The crystal structure of sodium iron orthophosphate Na2 Fe (P O4) (O H) Doklady Akademii Nauk SSSR, 1974, 215, 850-853 |
1530184 | CIF | Al F5 H10 N2 O | P b c n | 10.192; 8.037; 7.844 90; 90; 90 | 642.526 | Knop, O.; Cameron, T.S.; Deraniyagala, S.P.; Adhikesavalu, D.; Falk, M. ... Part XIII. Crystal structure of (N H4)2 (Al F5 (H2 O)) and N H3 D+ probe-ion spectra in (N H4)2 (Al F5 (H2 O)), N H4 Al F4 and (N H4)3 Zn Cl5 with remarks on structural filiation of AMF4 fluorides Canadian Journal of Chemistry, 1985, 63, 516-525 |
1530306 | CIF | F O5 Ti2 Yb | P b c n | 14.366; 5.48; 5.148 90; 90; 90 | 405.28 | Lobkovskaya, R.M.; Shcherbakova, L.G.; Kaminskii, V.F.; Sukhanova, G.E.; Kolesnikov, A.V.; Shibaeva, R.P. Synthesis and Crystal Structure of Yb Ti2 O5 F Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1984, 20, 873-876 |
1530409 | CIF | Ge Li Nd O4 | P b c n | 5.096; 11.923; 5.399 90; 90; 90 | 328.041 | Merinov, B.V.; Maksimov, B.A.; Dem'yanets, L.N.; Belov, N.V. Crystal structure of Li Nd Ge O4 Doklady Akademii Nauk SSSR, 1980, 250, 357-360 |
1530585 | CIF | O12 P2 S Zr2 | P b c n | 12.3742; 8.867; 8.951 90; 90; 90 | 982.122 | Piffard, Y.; Verbaere, A.; Kinoshita, M. beta- Zr2 (P O4)2 (S O4): A zirconium phosphato-sulfate with a Sc2 (W O4)3 structure. A comparison between garnet, Nasicon and Sc2 (W O4)3 structure types Journal of Solid State Chemistry, 1987, 71, 121-130 |
1530782 | CIF | Li Lu O8 S2 | P b c n | 12.575; 9.051; 9.138 90; 90; 90 | 1040.05 | Sirotinkin, S.P.; Pokrovskii, A.N.; Kovba, L.M. Crystal structures of certain double and simple rare earth sulfates Kristallografiya, 1981, 26, 385-389 |
1530783 | CIF | Er2 O12 S3 | P b c n | 12.442; 9.001; 9.837 90; 90; 90 | 1101.65 | Sirotinkin, S.P.; Pokrovskii, A.N.; Kovba, L.M. Crystal structures of certain double and simple rare earth sulfates Kristallografiya, 1981, 26, 385-389 |
1530802 | CIF | F5 Ga H10 N2 O | P b c n | 10.33; 8.054; 7.908 90; 90; 90 | 657.928 | Soldatov, E.N.; Tananaev, I.V.; Vorotilina, T.B.; Ilyukhin, V.V.; Kuz'min, E.A.; Drozdov, Yu.N. Crystal structure of ammonium monoaquapentafluorogallate (N H4)2 Ga F5 * H2 O Doklady Akademii Nauk SSSR, 1978, 241, 357-359 |
1530893 | CIF | Fe2 Li2 Mo3 O12 | P b c n | 12.8947; 9.4957; 9.3477 90; 90; 90 | 1144.57 | Torardi, C.C.; Prince, E. Structure of the lithium insertion compound Li2 Fe2 (Mo O4)3 from neutron powder diffraction data Materials Research Bulletin, 1986, 21, 719-726 |
1530900 | CIF | C3 H12 Cu N6 O7 S | P b c n | 13.004; 9.268; 8.873 90; 90; 90 | 1069.38 | Treushnikov, E.N.; Kuskov, V.I.; Belov, N.V. X-ray structural study of the electron structure of cupric sulfate tricarbamide Cu S O4 * 3C O (N H2)2 Kristallografiya, 1977, 22, 994-1003 |
1530923 | CIF | F7 K4 N3 O9 Sb2 | P b c n | 8.613; 8.996; 19.929 90; 90; 90 | 1544.15 | Udovenko, A.A.; Volkova, L.M.; Simonov, M.A.; Davidovich, R.L. Crystal structure of di- and trinitratoheptafluorodiantimonates(III) of potassium K (Sb2 F7) (K N O3)2 and K (Sb2 F7) (K N O3)3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 133-137 |
1530959 | CIF | F4 Na2 O2 W | P b c n | 5.074; 18.253; 5.437 90; 90; 90 | 503.552 | Vlasse, M.; Moutou, J.M.; Cervera-Marzal, M.; Chaminade, J.P.; Hagenmuller, P. Structure de Na2 W O2 F4 Revue de Chimie Minerale, 1982, 19, 58-64 |
1531016 | CIF | O2 Pb | P b c n | 4.948; 5.951; 5.497 90; 90; 90 | 161.862 | Zaslavskii, A.I.; Kondrashev, Yu.D.; Tolkachev, S.S. The new modification of lead dioxide and the texture of anode sediments Doklady Akademii Nauk SSSR, 1950, 75, 559-561 |
1531208 | CIF | Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5 | P b c n | 14.5342; 5.5584; 5.1952 90; 90; 90 | 419.704 | Bonazzi, P.; Zoppi, M.; Dei, L. Metamict aeschynite-(Y) from the Evje-Iveland district (Norway): heat-induced recrystallization and dehydrogenation European Journal of Mineralogy (1,1989-), 2002, 14, 141-150 |
1531559 | CIF | Ga6 O19 Sr10 | P b c n | 34.3163; 7.8918; 15.9558 90; 90; 90 | 4321.11 | Kahlenberg, V. beta-(Sr10 Ga6 O19): an oxygen deficient perovskite containing (Ga6 O19)-polyanions Solid State Sciences, 2002, 4, 183-189 |
1531861 | CIF | Ru2 Si3 | P b c n | 10.991; 8.905; 5.495 90; 90; 90 | 537.822 | Migas, D.B.; Miglio, L.; Shaposhnikov, V.L.; Borisenko, V.E. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
1531867 | CIF | Ge3 Ru2 | P b c n | 11.333; 9.158; 5.658 90; 90; 90 | 587.23 | Migas, D.B.; Borisenko, V.E.; Miglio, L.; Shaposhnikov, V.L. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
1531873 | CIF | Os2 Si3 | P b c n | 11.094; 8.927; 5.551 90; 90; 90 | 549.75 | Migas, D.B.; Miglio, L.; Borisenko, V.E.; Shaposhnikov, V.L. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
1531878 | CIF | Ge3 Os2 | P b c n | 11.407; 9.19; 5.709 90; 90; 90 | 598.476 | Migas, D.B.; Miglio, L.; Shaposhnikov, V.L.; Borisenko, V.E. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
1532121 | CIF | Fe2 O3 | P b c n | 6.6428; 4.6003; 4.9263 90; 90; 90 | 150.542 | Rozenberg, G.Kh.; Naaman, O.; Dubrovinskii, L.S.; Ahuja, R.; Le Bihan, T.; Pasternak, M.P. High-pressure structural studies of hematite Fe2 O3 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 65, 064112-1-064112-8 |
1532146 | CIF | C24 H12 N6 O6 | P b c n | 7.235; 41.244; 21.816 90; 90; 90 | 6510 | Zhan, Tian-Guang; Zhou, Tian-You; Qi, Qiao-Yan; Wu, Jian; Li, Guang-Yu; Zhao, Xin The construction of supramolecular polymers through anion bridging: from frustrated hydrogen-bonding networks to well-ordered linear arrays Polym. Chem., 2015, 6, 7586 |
1532168 | CIF | F Mg Na2 O4 P | P b c n | 5.223; 13.818; 11.749 90; 90; 90 | 847.942 | Swafford, S.H.; Holt, E.M. New synthetic approaches to monophosphate fluoride ceramics: synthesis and structural characterization of Na2 Mg (P O4) F and Sr5 (P O4)3 F Solid State Sciences, 2002, 4, 807-812 |
1532231 | CIF | Ca H4 O10 P2 Zn2 | P b c n | 17.149; 7.412; 6.667 90; 90; 90 | 847.432 | Taxer, K.J. Die Kristallstruktur des Minerals Scholzit Naturwissenschaften, 1971, 58, 192-192 |
1532756 | CIF | Mg0.857 Nb1.714 O6 Ti0.429 | P b c n | 14.136; 5.681; 5.042 90; 90; 90 | 404.906 | Bruno, J.C.; Cavalheiro, A.A.; Zaghete, M.A.; Varela, J.A.; Cilense, M. Structural effects of Li and K additives on the columbite precursor and 0.9PMN - 0.1PT powders Materials Chemistry and Physics, 2004, 84, 120-125 |
1532785 | CIF | Li2 O10 U W2 | P b c n | 7.9372; 12.786; 7.4249 90; 90; 90 | 753.516 | Obbade, S.; Yagoubi, S.; Dion, C.; Saadi, M.; Abraham, F. Two new lithium uranyl tungstates Li2 (U O2) (W O4)2 and Li2 (U O2)4 (W O4)4 O with framework based on the uranophane sheet anion topology Journal of Solid State Chemistry, 2004, 177, 1681-1694 |
1532829 | CIF | Fe0.794 Mn0.067 Nb1.578 O6 Sc0.047 Sn0.015 Ta0.078 Ti0.335 W0.044 | P b c n | 14.174; 5.692; 5.065 90; 90; 90 | 408.636 | Okrusch, M.; Brummer, A.; Hock, R.; Schuessler, U.; Baier, M.; Theisinger, H. Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: an electron-microprobe and Rietveld study American Mineralogist, 2003, 88, 986-995 |
1533491 | CIF | C V2 | P b c n | 4.57; 5.742; 5.026 90; 90; 90 | 131.887 | Arbuzov, M.P.; Khaenko, B.V.; Fak, V.G. Investigation of the Rhombic Modification of Carbide, V2 C Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki, 1977, 1977, 153-156 |
1533881 | CIF | C V2 | P b c n | 4.567; 5.744; 5.026 90; 90; 90 | 131.846 | Khaenko, B.V. X-ray study of the crystal structure of carbide V2 C rhombic modification Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki, 1979, 41, 387-391 |
1533962 | CIF | Al B O4 Pb | P b c n | 7.0423; 9.8989; 9.4281 90; 90; 90 | 657.243 | Park Hyun-Soo; Barbier, J.; Hammond, R.P. Crystal structure and polymorphism of Pb Al B O4 Solid State Sciences, 2003, 5, 565-571 |
1534038 | CIF | B10 Cs Cu H10 | P b c n | 21.212; 9.216; 9.657 90; 90; 90 | 1887.84 | Polyakova, I.N.; Malinina, E.A.; Kuznetsov, N.T. Crystal structures of cesium and dimethylammonium cupradecaborates, Cs (Cu B10 H10) and (C H3)2 N H2 (Cu B10 H10) Kristallografiya, 2003, 48, 89-96 |
1534505 | CIF | F6 Na Rb Sn | P b c n | 8.156; 13.129; 10.958 90; 90; 90 | 1173.38 | Gerasimenko, A.V.; Ivanov, S.B.; Sergienko, V.I.; Antokhina, T.F. Crystal structures of Na Rb Sn F6 and Na Cs Sn F6. Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1992, 18, 1139-1143 |
1534509 | CIF | Cs F6 Na Sn | P b c n | 8.352; 13.389; 11.206 90; 90; 90 | 1253.11 | Gerasimenko, A.V.; Ivanov, S.B.; Antokhina, T.F.; Sergienko, V.I. Crystal structures of NaRbSnF6 and NaCsSnF6. Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1992, 18, 1139-1143 |
1534667 | CIF | Ba Cl4 Pd | P b c n | 6.867; 12.588; 7.5015 90; 90; 90 | 648.443 | Assoud, A.; Meyer, G. Ein neues Chloropalladat(II): Ba Pd Cl4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1246-1247 |
1535040 | CIF | Mo3 O12 Y2 | P b c n | 13.86882; 9.93488; 10.02158 90; 90; 90 | 1380.82 | Marinkovic, B.A.; Jardim, P.M.; Rizzo, F.; de Avillez, R.R. Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12 Solid State Sciences, 2005, 7, 1377-1383 |
1535233 | CIF | Ag6 H8 N2 S10 Sn3 | P b c n | 23.8579; 6.4875; 13.3992 90; 90; 90 | 2073.9 | Baiyin, Menghe; Ye, Ling; An, Yonglin; Liu, Xin; Jia, Cuiying; Ning, Guiling A solvothermal synthesis and the structure of (NH~4~)~2~Ag~6~Sn~3~S~10~ Bulletin of the Chemical Society of Japan, 2005, 78, 1283-1284 |
1535550 | CIF | As2 F13 H Pb | P b c n | 10.583; 15.209; 10.794 90; 90; 90 | 1737.37 | Tramsek, M.; Lork, E.; Zemva, B.; Mews, R. Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V) Journal of Fluorine Chemistry, 2001, 110, 123-131 |
1535687 | CIF | B6 Dy4 H2 O16 | P b c n | 12.9266; 4.3711; 8.8763 90; 90; 90 | 501.542 | Huppertz, H. Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2 Journal of Solid State Chemistry, 2004, 177, 3700-3708 |
1535691 | CIF | B6 H2 Ho4 O16 | P b c n | 12.9278; 4.362; 8.8713 90; 90; 90 | 500.262 | Huppertz, H. Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2 Journal of Solid State Chemistry, 2004, 177, 3700-3708 |
1535839 | CIF | F5 K2 Sb | P b c n | 68.81; 13.635; 6.508 90; 90; 90 | 6105.96 | Udovenko, A.A.; Eiberman, M.F.; Davidovich, R.L. X-ray investigation of sequential phase transitions in potassium pentafluoroantimonate(III) over a temperature range 323-98 K. II.Crystal structure. Kristallografiya, 1992, 37, 735-752 |
1536520 | CIF | Ba Cl4 Zn | P b c n | 6.4899; 15.374; 6.8237 90; 90; 90 | 680.84 | Wickleder, C. Crystal structure, thermal behavior, and luminescence of Ba Zn Cl4 - II : Sm(2+) and comparison to Ba Zn Cl4 - I : Sm(2+) Journal of Solid State Chemistry, 2001, 162, 237-242 |
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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