Crystallography Open Database
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Searching space group like 'P b a 2'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000162 | CIF | F3 Fe K0.6 | P b a 2 | 12.75; 12.637; 3.986 90; 90; 90 | 642.2 | Hardy, A.-M.; Hardy, A.; Ferey, G. Structure cristalline du bronze pseudo-quadratique K~0.6~ Fe F~3~: Transition pyrochlore-quadratique pour les composes K M M'~6~ Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1654-1658 |
| 1515774 | CIF | C46 H74 B2 Ga3 I3 N14 S6 | P b a 2 | 14.953; 20.106; 11.2381 90; 90; 90 | 3378.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1517296 | CIF | C28 H30 N4 O6 Zn | P b a 2 | 11.2987; 14.6667; 8.2144 90; 90; 90 | 1361.25 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1518890 | CIF | Mo7.62 O29.23 V2.38 | P b a 2 | 20.9864; 26.4023; 3.98755 90; 90; 90 | 2209.46 | Ishikawa, Satoshi; Kobayashi, Daichi; Konya, Takeshi; Ohmura, Shunpei; Murayama, Toru; Yasuda, Nobuhiro; Sadakane, Masahiro; Ueda, Wataru Redox Treatment of Orthorhombic Mo29V11O112and Relationships between Crystal Structure, Microporosity and Catalytic Performance for Selective Oxidation of Ethane The Journal of Physical Chemistry C, 2015, 119, 7195 |
| 1527628 | CIF | Bi2.76 Nb17 O47 | P b a 2 | 12.516; 37.14; 3.922 90; 90; 90 | 1823.12 | Keve, E.T.; Skapski, A.C. Bi3 Nb17 O47: A potentially ferroelectric crystal structure of the tungsten bronze type Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1971, 1971, 1280-1286 |
| 1529369 | CIF HKL | Mo3 O12 Tb2 | P b a 2 | 10.353865; 10.384128; 10.656947 90; 90; 90 | 1145.79 | V.V. Atuchin; A.S. Aleksandrovsky; O.D. Chimitova; A.S. Krylov; M.S. Molokeev; B.G. Bazarov; J.G. Bazarova; Zhiguo Xia Synthesis and spectroscopic properties of multiferroic b'-Tb2(MoO4)3 Optical Materials, 2014, 36, 1631-1635 |
| 1529519 | CIF | Mo3 O12 Tb2 | P b a 2 | 10.3656; 10.3876; 10.6471 90; 90; 90 | 1146.41 | Abrahams, S.C.; Bernstein, J.L.; Svensson, C. Ferroelectric-ferroelastic Tb2 (Mo O4)3. Crystal structure temperature dependence from 298 K through the transition at 436 K to the antiferroelectric-paraelastic phase at 523 K Journal of Chemical Physics, 1980, 72, 4278-4285 |
| 1530371 | CIF | Ba3.75 O54 Pr9.5 Ti18 | P b a 2 | 22.36; 12.181; 3.832 90; 90; 90 | 1043.71 | Matveeva, R.G.; Ilyushchenko, L.S.; Varfolomeev, M.B. Refinement of the composition and crystal structure of Ba3.75 Pr9.5 Ti18 O54 Zhurnal Neorganicheskoi Khimii, 1984, 29, 31-34 |
| 1530485 | CIF | Ca2 Ge7 O16 | P b a 2 | 11.34; 11.34; 4.64 90; 90; 90 | 596.684 | Nevskii, N.N.; Ilyukhin, V.V.; Ivanova, L.I.; Belov, N.V. Crystal structure of calcium germanate Ca2 Ge2 (Ge O4) (Ge4 O12) Doklady Akademii Nauk SSSR, 1979, 245, 110-113 |
| 1531648 | CIF | Gd2 Mo3 O12 | P b a 2 | 10.3858; 10.4186; 10.7004 90; 90; 90 | 1157.84 | Keve, E.T.; Abrahams, S.C.; Bernstein, J.L. Ferroelectric ferroelastic paramagnetic beta-Gd2 (Mo O4)3 crystal structure of the transition-metal molybdates and tungstates. VI Journal of Chemical Physics, 1971, 54, 3185-3194 |
| 1534297 | CIF | Al6 Ca2.4 K1.1 Na4.5 O32 S2 Si6 | P b a 2 | 12.872; 12.872; 9.102 90; 90; 90 | 1508.1 | Bolotina, N.B.; Rastsvetaeva, R.K.; Sapozhnikov, A.N.; Kashaev, A.A. Twin orthorhombic structure of hauyne from Sakrogano (Italy) Kristallografiya, 2003, 48, 981-985 |
| 1534376 | CIF | Na13 Nb35 O94 | P b a 2 | 12.364; 36.992; 3.955 90; 90; 90 | 1808.9 | Craig, D.C.; Stephenson, N.C. The structure of the bronze Na13 Nb35 O94 and the geometry of ferroelectric domains Journal of Solid State Chemistry, 1971, 3, 89-100 |
| 1540782 | CIF | Mo15.39 O47 | P b a 2 | 21.615; 19.632; 3.9515 90; 90; 90 | 1676.8 | Yamazoe, N.; Ekstroem, T.; Kihlborg, L. Structural effects of vanadium substitution in Mo17 O47 Acta Chemica Scandinavica, Series A: (28,1974-), 1975, 29, 404-408 |
| 1541092 | CIF | Cl10 Mo N2 P2 | P b a 2 | 15.9; 11.416; 4.18 90; 90; 90 | 758.73 | Patt-Siebel, U.; Mueller, U.; Khabou, A.; Dehnicke, K. (Cl3 P N P Cl3) (Mo N Cl4), eine Verbindung mit strangartig assoziierten Anionen Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989, 569, 91-96 |
| 1541269 | CIF | Cl10 Mo N O P2 | P b a 2 | 15.984; 11.412; 4.151 90; 90; 90 | 757.181 | Mueller, U.; Conradi, E.; Dehnicke, K.; Patt-Siebel, U.; Khabou, A.; Kersting, M.; Schmidt, I. Spektroskopische und kristallographische Charakterisierung von (Cl3 P N P Cl3) (Mo O Cl4) und die Kristallstruktur von (Cl3 P N P Cl3) (Mo Cl6) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 560, 93-104 |
| 1541705 | CIF | K3 O14 Sb5 | P b a 2 | 24.211; 7.153; 7.322 90; 90; 90 | 1268.03 | Aurivillius, B. On the crystal structure of K3 Sb5 O14 Arkiv foer Kemi, 1966, 25, 505-514 |
| 1543557 | CIF | C88 H106 N8 O37 Zn2 | P b a 2 | 18.228; 18.281; 14.9489 90; 90; 90 | 4981.4 | Jin-Xiang Chen; Wei-Er Lin; Ming Chen; Fu-Chang Que; Lei Tao; Xue-Lan Cen; Yang-Ming Zhou; Wen-Hua Chen Synthesis and DNA photocleaving activities of ancillary ligand-containing zinc complexes of quaternized carboxylates Inorganica Chimica Acta, 2014, 195-201 |
| 1545751 | CIF | C67 H80 N2 O10 | P b a 2 | 25.3293; 20.1695; 23.6895 90; 90; 90 | 12102.5 | li, zhengtao; Xing, Hao; Shi, Bingbing Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions Polym. Chem., 2017 |
| 1555956 | CIF | C21 H16 O | P b a 2 | 18.9446; 24.3426; 6.2244 90; 90; 90 | 2870.45 | Yoon, Hyung; Lossouarn, Alexis; Landau, Felicitas; Lautens, Mark Pd-Catalyzed Spirocyclization via C-H Activation and Benzyne Insertion. Organic letters, 2016, 18, 6324-6327 |
| 1556573 | CIF | C21 H21 Br O6 | P b a 2 | 15.4343; 16.0851; 8.1341 90; 90; 90 | 2019.39 | Wang, Weihong; Park, Chanyoon; Oh, Eunseok; Sung, Youjung; Lee, Jusung; Park, Kyu-Hyung; Kang, Heonjoong Benzophenone Compounds, from a Marine-Derived Strain of the Fungus <i>Pestalotiopsis neglecta</i>, Inhibit Proliferation of Pancreatic Cancer Cells by Targeting the MEK/ERK Pathway. Journal of natural products, 2019, 82, 3357-3365 |
| 1557599 | CIF | C9 H10 N4 O3 Zn2 | P b a 2 | 10.51; 12.234; 4.666 90; 90; 90 | 599.95 | Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks? Faraday discussions, 2021, 225, 118-132 |
| 1562916 | CIF | Ba2 F5 O8 Si2 Y3 | P b a 2 | 8.8864; 12.764; 5.0843 90; 90; 90 | 576.7 | McMillen, Colin D.; Emirdag-Eanes, Mehtap; Stritzinger, Jared T.; Kolis, Joseph W. Hydrothermal synthesis of new rare earth silicate fluorides: A novel class of polar materials Journal of Solid State Chemistry, 2012, 195, 155-160 |
| 1562959 | CIF | C6 H20 N O13 Pr S | P b a 2 | 11.5754; 16.1852; 8.6096 90; 90; 90 | 1613.01 | Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies Journal of Solid State Chemistry, 2012, 192, 284-288 |
| 1562960 | CIF | C6 H20 N Nd O13 S | P b a 2 | 11.5413; 16.1248; 8.5949 90; 90; 90 | 1599.52 | Zhuang, Gui-lin; Chen, Wu-lin; Zheng, Jun; Yu, Hui-you; Wang, Jian-guo N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies Journal of Solid State Chemistry, 2012, 192, 284-288 |
| 2021032 | CIF HKL Paper | C34 H52 Cu N14 O14 S2 | P b a 2 | 13.711; 19.1598; 8.9327 90; 90; 90 | 2346.6 | Li, Peng-Cheng; Zhang, Kou-Lin A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization Acta Crystallographica Section C, 2018, 74 |
| 2021759 | CIF Paper | C16 H14 O6 | P b a 2 | 12.28767; 13.972; 3.93043 90; 90; 90 | 674.789 | Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin Acta Crystallographica, Section C, 2018, 74, 1768-1773 |
| 2101572 | CIF Paper | C H8 F6 N4 Zr | P b a 2 | 10.089; 18.349; 7.56 90; 90; 90 | 1399.5 | Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B, 1996, 52, 806-809 |
| 2101573 | CIF Paper | Ba0.6 Bi K0.4 O2.3 | P b a 2 | 6.127; 12.016; 4.378 90; 90; 90 | 322.317 | Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B, 1996, 52, 806-809 |
| 2101574 | CIF Paper | Cl10 Mo N O P2 | P b a 2 | 15.984; 11.412; 4.151 90; 90; 90 | 757.2 | Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B, 1996, 52, 806-809 |
| 2205429 | CIF HKL Paper | C26 H32 O4 Sn | P b a 2 | 9.833; 25.403; 5.1578 90; 90; 90 | 1288.4 | Min Hong; Handong Yin; Daqi Wang Di-<i>n</i>-butyldicinnamatotin(IV) Acta Crystallographica Section E, 2005, 61, m746-m747 |
| 2212735 | CIF HKL Paper | C13 H16 N4 S2 | P b a 2 | 12.03; 13.905; 4.371 90; 90; 90 | 731.2 | Chen, Shi-Kun; Li, Lin; Tian, Lei; Wu, Jie-Ying 2,2'-(Methylenedithio)bis(4,6-dimethylpyrimidine) Acta Crystallographica Section E, 2007, 63, o1126-o1127 |
| 2212941 | CIF HKL Paper | C6 H3 I3 | P b a 2 | 12.6534; 16.1729; 4.3244 90; 90; 90 | 884.95 | Novak, Igor 1,2,4-Triiodobenzene Acta Crystallographica Section E, 2007, 63, o1542-o1543 |
| 2218423 | CIF HKL Paper | C19 H22 N2 O4 | P b a 2 | 7.4595; 25.459; 4.5938 90; 90; 90 | 872.4 | Dong, Wen-Kui; He, Xue-Ni; Zhong, Jin-Kui; Chen, Xiao; Yu, Tian-Zhi 2,2'-[1,1'-(Propane-1,3-diyldioxydinitrilo)diethylidyne]diphenol Acta Crystallographica Section E, 2008, 64, o1098 |
| 2224382 | CIF HKL Paper | C58 H42 Au2 Cl6 F10 P2 | P b a 2 | 14.506; 22.083; 8.9439 90; 90; 90 | 2865.1 | Strasser, Christoph E.; Coetzee, Karolien; Cronje, Stephanie; Raubenheimer, Helgard G. (<i>m</i>-Phenylenedimethylene)bis(triphenylphosphonium) bis[chlorido(pentafluorophenyl)aurate(I)] dichloromethane disolvate Acta Crystallographica Section E, 2009, 65, m1499 |
| 2230062 | CIF HKL Paper | C21 H23 Cl N2 O2 | P b a 2 | 18.505; 27.012; 7.63 90; 90; 90 | 3814 | Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua <i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione Acta Crystallographica Section E, 2011, 67, o1251 |
| 2240542 | CIF HKL Paper | C22 H28 Br2 O2 | P b a 2 | 7.368; 22.4243; 6.6148 90; 90; 90 | 1092.91 | Obata, Rika; Ohba, Shigeru; Einaga, Yasuaki; Nishiyama, Shigeru Crystal structure of 5,5'-dibromo-3,3'-di-<i>tert</i>-butyl-6,6'-dimethylbiphenyl-2,2'-diol Acta Crystallographica Section E, 2015, 71, o278-o279 |
| 4002088 | CIF | Eu2 Mo3 O12 | P b a 2 | 10.41525; 10.44871; 10.73114 90; 90; 90 | 1167.83 | Morozov, Vladimir A.; Raskina, Maria V.; Lazoryak, Bogdan I.; Meert, Katrien W.; Korthout, Katleen; Smet, Philippe F.; Poelman, Dirk; Gauquelin, Nicolas; Verbeeck, Johan; Abakumov, Artem M.; Hadermann, Joke Crystal Structure and Luminescent Properties of R2‒xEux(MoO4)3(R = Gd, Sm) Red Phosphors Chemistry of Materials, 2014, 26, 7124 |
| 4026786 | CIF | C29 H19 B Br4 F2 N2 S2 | P b a 2 | 19.356; 27.471; 5.689 90; 90; 90 | 3025 | Lijuan Jiao; Weidong Pang; Jinyuan Zhou; Yun Wei; Xiaolong Mu; Guifeng Bai; Erhong Hao Regioselective Stepwise Bromination of Boron Dipyrromethene (BODIPY) Dyes Journal of Organic Chemistry, 2011, 76, 9988-9996 |
| 4030824 | CIF | Ba Na0.5 Nb2.5 O7.5 | P b a 2 | 12.425; 12.484; 3.977 90; 90; 90 | 616.9 | Foulon, G.; Ferriol, M.; Brenier, A.; Boulon, G.; Lecocq, S. Obtention of good quality B2NaNb3O15 crystals: growth, characterization and structure of Nd3+ -doped single-crystal fibres European Journal of Solid State and Inorganic Chemistry, 1996, 33, 673-686 |
| 4083947 | CIF | C28 H92 B40 Si5 | P b a 2 | 13.9813; 17.6592; 12.7224 90; 90; 90 | 3141.14 | Núñez, Rosario; González-Campo, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko Boron-Functionalized Carbosilanes: Insertion of Carborane Clusters into Peripheral Silicon Atoms of Carbosilane Compounds Organometallics, 2005, 24, 6351 |
| 4102004 | CIF | C22 H20 F N O4 S2 | P b a 2 | 13.417; 17.6111; 8.6693 90; 90; 90 | 2048.5 | Shuifa Qiu; Tao Xu; Juan Zhou; Yinlong Guo; Guosheng Liu Palladium-Catalyzed Intermolecular Aminofluorination of Styrenes Journal of the American Chemical Society, 2010, 132, 2856-2857 |
| 4107297 | CIF | C117 H168.5 N23.5 O27 | P b a 2 | 24.3532; 29.3664; 17.4082 90; 90; 90 | 12449.7 | Naoki Ousaka; Tomohiro Sato; Reiko Kuroda Intramolecular Crosslinking of an Optically Inactive 310-Helical Peptide: Stabilization of Structure and Helix Sense Journal of the American Chemical Society, 2008, 130, 463-465 |
| 4107728 | CIF | C48 H128 Cl8 N28 Ni4 O54 | P b a 2 | 21.57; 22.1013; 10.0759 90; 90; 90 | 4803.4 | Ryosuke Miyake; Shohei Tashiro; Motoo Shiro; Kentaro Tanaka; Mitsuhiko Shionoya Ni(II)-Mediated Self-Assembly of Artificial β-Dipeptides Forming a Macrocyclic Tetranuclear Complex with Interior Spaces for In-Line Molecular Arrangement Journal of the American Chemical Society, 2008, 130, 5646-5647 |
| 4110334 | CIF | C16 H16 O4 S4 | P b a 2 | 13.5485; 14.9235; 4.3766 90; 90; 90 | 884.91 | Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure Journal of the American Chemical Society, 2006, 128, 291-304 |
| 4120934 | CIF HKL | C26 H20 N2 O10.5 Tb | P b a 2 | 31.8047; 7.4805; 9.8565 90; 90; 90 | 2345.01 | Xingtang Rao; Tao Song; Junkuo Gao; Yuanjing Cui; Yu Yang; Chuande Wu; Banglin Chen; Guodong Qian A Highly Sensitive Mixed Lanthanide Metal-Organic Framework Self-Calibrated Luminescent Thermometer Journal of the American Chemical Society, 2013, 135, 15559-15564 |
| 4130527 | CIF | C64 H84 Bi12 K3 N9 O18 U | P b a 2 | 31.7268; 39.3976; 16.698 90; 90; 90 | 20871.8 | Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages. Journal of the American Chemical Society, 2016, 138, 9033-9036 |
| 4301712 | CIF | C163 H228 N8 O12 Sc4 | P b a 2 | 19.2322; 23.6954; 17.3634 90; 90; 90 | 7912.8 | Christian Meermann; Karl W. Törnroos; Reiner Anwander Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands Inorganic Chemistry, 2009, 48, 2561-2570 |
| 4308461 | CIF | C6 H6.33 Eu2 O13.16 | P b a 2 | 7.6762; 17.8448; 4.8105 90; 90; 90 | 658.94 | Christian Serre; Jérôme Marrot; Gérard Férey An Open-Framework Rare-Earth Acetylenedicarboxylate: MIL-95, EuIII2(H2O)2(CO3)2.{O2C-C2-CO2}.{H2O}x Inorganic Chemistry, 2005, 44, 654-657 |
| 4311109 | CIF | C108 H96 I6 O8 P6 Te | P b a 2 | 18.4455; 32.3444; 17.4516 90; 90; 90 | 10411.8 | Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions Inorganic Chemistry, 2004, 43, 3742-3750 |
| 4313446 | CIF | H I K O10 U V | P b a 2 | 9.984; 16.763; 4.9773 90; 90; 90 | 833 | Richard E. Sykora; Thomas E. Albrecht-Schmitt Self-Assembly of a Polar Open-Framework Uranyl Vanadyl Hexaoxoiodate(VII) Constructed Entirely from Distorted Octahedral Building Units in the First Uranium Hexaoxoiodate: K2[(UO2)2(VO)2(IO6)2O].H2O Inorganic Chemistry, 2003, 42, 2179-2181 |
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