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 |
|---|---|---|---|---|---|---|
| 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 |
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