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 |
---|---|---|---|---|---|---|
2104024 | CIF Paper | Ge O2 | P b c n | 4.0519; 5.0269; 4.5223 90; 90; 90 | 92.11 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
9002782 | CIF | O2 Si | P b c n | 4.097; 5.0462; 4.4946 90; 90; 90 | 92.923 | Dera, P.; Prewitt, C. T.; Boctor, N. Z.; Hemley, R. J. Characterization of a high-pressure phase of silica from the Martian meteorite Shergotty alpha-PbO2-like American Mineralogist, 2002, 87, 1018-1023 |
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 |
9009242 | CIF | C O2 | P b c n | 4.3441; 6.111; 4.285 90; 90; 90 | 113.753 | Park, J. H.; Yoo, C. S.; Iota, V.; Cynn, H.; Nicol, M. F.; Le Bihan, T. Crystal structure of bent carbon dioxide phase IV Sample: P = 15 GPa, the authors think this structure is correct Physical Review B, 2003, 68, 014107-014107 |
1562532 | CIF | O2 Ti | P b c n | 4.5337; 5.49959; 4.9037 90; 90; 90 | 122.266 | Spektor, Kristina; Tran, Dung Trung; Leinenweber, Kurt; Häussermann, Ulrich Transformation of rutile to TiO2-II in a high pressure hydrothermal environment Journal of Solid State Chemistry, 2013, 206, 209-216 |
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 |
2310486 | CIF | O2 Ti | P b c n | 4.515; 5.497; 4.939 90; 90; 90 | 122.581 | Simons, P.Y.; Dachille, F. The structure of Ti O2 II, a high-pressure phase of Ti O2 Acta Crystallographica (1,1948-23,1967), 1967, 23, 334-336 |
9009092 | CIF | O2 Re | P b c n | 4.8094; 5.6433; 4.6007 90; 90; 90 | 124.867 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 239-444 |
7243652 | CIF | Fe2.667 O8 W1.333 | P b c n | 4.57964; 5.58662; 4.9692 90; 90; 90 | 127.136 | Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations CrystEngComm, 2021, 23, 7298-7304 |
1565524 | CIF | Fe2.67 O8 W1.33 | P b c n | 4.58111; 5.59297; 4.96249 90; 90; 90 | 127.149 | Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs The Journal of Physical Chemistry C, 2021, 125, 25907-25916 |
9010854 | CIF | O2 Ti0.666 Zr0.334 | P b c n | 4.7112; 5.4944; 4.9962 90; 90; 90 | 129.328 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010853 | CIF | O2 Ti0.65 Zr0.35 | P b c n | 4.72; 5.5078; 5.0018 90; 90; 90 | 130.031 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.650 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010852 | CIF | O2 Ti0.6 Zr0.4 | P b c n | 4.7447; 5.4925; 5.0119 90; 90; 90 | 130.611 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.600 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
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 |
9008307 | CIF | O2 Ti0.67 Zr0.33 | P b c n | 4.706; 5.553; 5.024 90; 90; 90 | 131.289 | Willgallis, A.; Hartl, H. (Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur Locality: Rakwana, Sri Lanka Zeitschrift fur Kristallographie, 1983, 164, 59-66 |
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 |
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 |
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 |
9010851 | CIF | O2 Ti0.548 Zr0.452 | P b c n | 4.7762; 5.501; 5.0253 90; 90; 90 | 132.034 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.548 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
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 |
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 |
9010850 | CIF | O2 Ti0.5 Zr0.5 | P b c n | 4.8069; 5.4785; 5.0339 90; 90; 90 | 132.566 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.500 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010849 | CIF | O2 Ti0.45 Zr0.55 | P b c n | 4.8349; 5.4801; 5.0439 90; 90; 90 | 133.642 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.450 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010848 | CIF | O2 Ti0.425 Zr0.575 | P b c n | 4.8495; 5.4635; 5.0462 90; 90; 90 | 133.7 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.425 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
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 |
7224572 | CIF | Nb2.667 O8 Zn1.333 | P b c n | 4.7283; 5.7208; 5.0331 90; 90; 90 | 136.14 | Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6 CrystEngComm, 2016, 18, 2929 |
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 |
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 |
9004110 | CIF | Fe0.002 Mn0.3 Nb0.24 O2 Sn0.005 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 The Canadian Mineralogist, 1976, 14, 540-549 |
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 |
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 |
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 |
9009091 | CIF | O2 Pb | P b c n | 4.947; 5.951; 5.497 90; 90; 90 | 161.829 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2 Crystal Structures, 1963, 1, 239-444 |
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 |
9003431 | CIF | Mg O3 Si | P b c n | 7.037; 6.928; 4 90; 90; 90 | 195.009 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene with O3-O3-O3 angle = 180 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9004254 | CIF | Al O4 Ta | P b c n | 4.473; 11.308; 4.775 90; 90; 90 | 241.523 | Ercit, T. S.; Hawthorne, F. C.; Cerny, P. The crystal structure of alumotantite: Its relation to the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds The Canadian Mineralogist, 1992, 30, 653-662 |
7044476 | CIF | Ag F2 | P b c n | 5.476; 8.331; 5.787 90; 90; 90 | 264 | Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W. Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2 Dalton Trans., 2017 |
2000863 | CIF Paper | F4 In Li | P b c n | 4.752; 11.721; 4.971 90; 90; 90 | 276.88 | Gravereau, P.; Chaminade, J. P.; Gaewdang, T.; Grannec, J.; Pouchard, M.; Hagenmuller, P. Structure of lithium tetrafluoroindate Acta Crystallographica Section C, 1992, 48, 769-771 |
2100015 | CIF | C H2 Cl2 | P b c n | 3.924; 7.793; 9.335 90; 90; 90 | 285.46 | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane Acta Crystallographica, Section B, 2005, 61, 595-600 |
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 |
2100014 | CIF | C H2 Cl2 | P b c n | 3.984; 7.863; 9.357 90; 90; 90 | 293.12 | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane Acta Crystallographica, Section B, 2005, 61, 595-600 |
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 |
2102967 | CIF HKL Paper | C H2 Br Cl | P b c n | 3.9929; 7.9351; 9.6808 90; 90; 90 | 306.73 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
9007492 | CIF | Rh2 S3 | P b c n | 8.462; 5.985; 6.138 90; 90; 90 | 310.859 | Parthe, E.; Hohnke, D.; Hulliger, F. A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3 Acta Crystallographica, 1967, 23, 832-840 |
2022680 | CIF HKL Paper | Rh2 S3 | P b c n | 8.4672; 5.98537; 6.13921 90; 90; 90 | 311.131 | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022679 | CIF HKL Paper | Ir2 S3 | P b c n | 8.4728; 6.01563; 6.1537 90; 90; 90 | 313.649 | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2106927 | CIF | F4 Na Ti | P b c n | 4.976; 5.755; 11.07 90; 90; 90 | 317.01 | Omaly, J.; Avignant, D.; Batail, P.; Grandjean, D.; Cousseins, J.C. Structure cristalline de alpha-Na Ti F4 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2106-2110 |
2102966 | CIF HKL Paper | C H2 Br Cl | P b c n | 4.1126; 8.0685; 9.755 90; 90; 90 | 323.7 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
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 |
2004652 | CIF Paper | B2 O4 Sr | P b c n | 12.0135; 4.339; 6.5864 90; 90; 90 | 343.33 | Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H. Strontium Metaborate, SrB~2~O~4~ Acta Crystallographica Section C, 1996, 52, 498-500 |
2010455 | CIF | Al2.7 Fe Si2.3 | P b c n | 6.061; 6.061; 9.525 90; 90; 90 | 349.9 | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N. FeAl~3~Si~2~ Acta Crystallographica Section C, 1995, 51, 177-179 |
4117100 | CIF | C3 F4 | P b c n | 8.282; 5.14; 8.268 90; 90; 90 | 352 | Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases Journal of the American Chemical Society, 1996, 118, 209-216 |
2020520 | CIF | O4 Sr Te | P b c n | 5.605; 13.181; 5.003 90; 90; 90 | 369.6 | Lapasset, J.; Moret, J. Structure de SrTeO~4~ sur monocristal. Organisation de structures comportant des empilements de chaînes (TeO~4~)~n~. Dimorphisme de Na~2~TeO~4~ Acta Crystallographica, Section C: Crystal Structure Communications, 1985, 41, 1558-1562 |
2106368 | CIF | Na2 O4 Te | P b c n | 5.798; 12.24; 5.214 90; 90; 90 | 370.025 | Kratochvil, B.; Jensovsky, L. The crystal structure of sodium metatellurate Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2596-2598 |
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 |
9011955 | CIF | C Ca2 F2 O3 | P b c n | 7.65; 7.55; 6.548 90; 90; 90 | 378.196 | Leufer, U.; Tillmanns, E. Die kristallstruktur von brenkit, Ca2F2CO3 Tschermaks Mineralogische und Petrographische Mitteilungen, 1980, 27, 261-266 |
2310464 | CIF | Fe2 O6 W | P b c n | 4.576; 16.766; 4.967 90; 90; 90 | 381.074 | Pinto, H.; Shaked, H.; Melamud, M. Magnetic structure of Fe2 W O6, a neutron diffraction study Acta Crystallographica A (24,1968-38,1982), 1977, 33, 663-667 |
1566656 | CIF | D2 O | P b c n | 8.3966; 5.4546; 8.3737 90; 90; 90 | 383.52 | Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L. Structure and nature of ice XIX Nature Communications, 2021, 12, 3162 |
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 |
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 |
9013659 | CIF | Mg O3 Si | P b c n | 9.177; 8.816; 4.812 90; 90; 90 | 389.312 | Jahn, S.; Martonak, R. Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure Note: modelled high-pressure phase at P = 0 GPa American Mineralogist, 2009, 94, 950-956 |
9007747 | CIF | Li2 O5 Si2 | P b c n | 5.683; 4.784; 14.648 90; 90; 90 | 398.242 | Smith, R. I.; Howie, R. A.; West, A. R.; Aragon-Pina A; Villafuerte-Castrejon M E The structure of metastable lithium disilicate, Li2Si2O5 Acta Crystallographica, Section C, 1990, 46, 363-365 |
8103679 | CIF | Nb2 Ni O6 | P b c n | 14.0217; 5.6752; 5.015 90; 90; 90 | 399.073 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
2002316 | CIF | Nb2 Ni O6 | P b c n | 14.032; 5.687; 5.033 90; 90; 90 | 401.6 | Wichmann, R; Mueller-Buschbaum, Hk Synthese und Untersuchung von Ni Nb2 O6-Einkristallen mit Columbit - und Rutilstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1983, 503, 101-105 |
2002115 | CIF | Nb1.76 O6 V0.24 Zn | P b c n | 14.113; 5.693; 5.025 90; 90; 90 | 403.7 | Waburg, M; M, ller-Buschbaum H K Kristallchemische Untersuchungen an den Phasen: (I) Zn (V.~12~ Nb~.88~)~2~ O~6~, (II) Zn (V.~28~ Ta~.72~)~2~ O~6~ und (III) Zn (Nb~.58~ Ta~.42~)~2~ O~6~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 542, 31-36 |
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 |
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 |
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 |
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 |
9012222 | CIF | Mg Nb2 O6 | P b c n | 14.1875; 5.7001; 5.0331 90; 90; 90 | 407.028 | Pagola, S.; Carbonio, R. E.; Alonso, J. A.; Fernandez-Diaz M T Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14<x<1.60) phases Locality: synthetic Note: reported and calculated Biso(O2)'s do not match Journal of Solid State Chemistry, 1997, 134, 76-84 |
2002311 | CIF | O6 Ta2 Zn | P b c n | 4.702; 17.09399; 5.07 90; 90; 90 | 407.5 | Waburg, M.; Müller-Buschbaum, Hk. ZnTa~2~O~6~, ein neuer Vertreter des tri-α-PbO~2~ Typs (mit ergaenzenden Daten über ZnNb~2~O~6~) Zeitschrift für Anorganische und Allgemeine Chemie, 1984, 508, 55-60 |
8103680 | CIF | Co Nb2 O6 | P b c n | 14.1475; 5.712; 5.0446 90; 90; 90 | 407.657 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
2002361 | CIF | Nb1.16 O6 Ta0.84 Zn | P b c n | 4.71; 17.103; 5.072 90; 90; 90 | 408.6 | Waburg, M; Mueller-Buschbaum, Hk Kristallchemische Untersuchungen an den Phasen: (I) Zn (V0.12 Nb0.88)2 O6, (II) Zn (V0.28 Ta0.72)2 O6 und (III) Zn (Nb0.58 Ta0.42)2 O6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 542, 31-36 |
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 |
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 |
2002312 | CIF | Nb2 O6 Zn | P b c n | 14.208; 5.726; 5.04 90; 90; 90 | 410 | Waburg, M.; Müller-Buschbaum, Hk. ZnTa~2~O~6~, ein neuer Vertreter des tri-α-PbO~2~ Typs (mit ergaenzenden Daten über ZnNb~2~O~6~) Zeitschrift für Anorganische und Allgemeine Chemie, 1984, 508, 55-60 |
9013658 | CIF | Mg O3 Si | P b c n | 9.171; 8.513; 5.254 90; 90; 90 | 410.194 | Jahn, S.; Martonak, R. Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure American Mineralogist, 2009, 94, 950-956 |
8103681 | CIF | Fe Nb2 O6 | P b c n | 14.2448; 5.7276; 5.0421 90; 90; 90 | 411.377 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
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 |
2002124 | CIF | Mn0.333 O6 Ta2 Zn0.667 | P b c n | 4.73; 17.15399; 5.093 90; 90; 90 | 413.2 | Rohweder, U; Mueller-Buschbaum, Hk Geordnete und ungeordnete Metallverteilung in Mn Zn2 Ta2 O8 und Mn0.33 Zn0.67 Ta2 O6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989, 572, 102-108 |
9014551 | CIF | Lu O6 Ta Ti | P b c n | 14.5288; 5.5226; 5.1572 90; 90; 90 | 413.797 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
9015174 | CIF | Fe Nb1.2 O6 Ta0.8 | P b c n | 14.2737; 5.73543; 5.0554 90; 90; 90 | 413.864 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
9003739 | CIF | Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 | P b c n | 14.2744; 5.7321; 5.0616 90; 90; 90 | 414.152 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 40 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003734 | CIF | Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.2501; 5.7263; 5.0767 90; 90; 90 | 414.26 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003733 | CIF | Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.2445; 5.7265; 5.0789 90; 90; 90 | 414.292 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 600 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003738 | CIF | Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 | P b c n | 14.2733; 5.7317; 5.0646 90; 90; 90 | 414.336 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 7 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003728 | CIF | Ca0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002 | P b c n | 14.2877; 5.7363; 5.0561 90; 90; 90 | 414.391 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil American Mineralogist, 2005, 90, 1291-1300 |
9003740 | CIF | Fe0.791 Mn0.209 Nb1.898 O6 Ta0.102 | P b c n | 14.2852; 5.7361; 5.0574 90; 90; 90 | 414.41 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 950 C for t = 3 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9007251 | CIF | Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 | P b c n | 14.288; 5.7364; 5.0562 90; 90; 90 | 414.415 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 20 C Locality: San Jose de Safira, Minas Gerais, Brazil Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9003735 | CIF | Fe0.264 Mn0.07 Nb0.633 O2 Ta0.033 | P b c n | 14.2582; 5.729; 5.0748 90; 90; 90 | 414.536 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 200 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003736 | CIF | Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.26; 5.7293; 5.0746 90; 90; 90 | 414.594 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 5 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003737 | CIF | Fe0.79 Mn0.209 Nb1.901 O6 Ta0.1 | P b c n | 14.2658; 5.7299; 5.0748 90; 90; 90 | 414.822 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003732 | CIF | Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.2427; 5.729; 5.0856 90; 90; 90 | 414.967 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9001398 | CIF | Fe0.333 Nb0.5 O2 Ta0.167 | P b c n | 14.221; 5.727; 5.102 90; 90; 90 | 415.526 | Wenger, M.; Armbruster, T.; Geiger, C. A. Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina SAMPLE ncp1, T = 293 K American Mineralogist, 1991, 76, 1897-1904 |
9016333 | CIF | O6 Ta Ti Yb | P b c n | 14.5478; 5.5289; 5.1683 90; 90; 90 | 415.704 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
9001397 | CIF | Fe0.333 Nb0.501 O2 Ta0.166 | P b c n | 14.189; 5.727; 5.12 90; 90; 90 | 416.053 | Wenger, M.; Armbruster, T.; Geiger, C. A. Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina sample NCP5, T = 100 K American Mineralogist, 1991, 76, 1897-1904 |
9014279 | CIF | Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 | P b c n | 14.3196; 5.7413; 5.0624 90; 90; 90 | 416.196 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
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 |
9003729 | CIF | Ca0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004 | P b c n | 14.3267; 5.7392; 5.0674 90; 90; 90 | 416.661 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar American Mineralogist, 2005, 90, 1291-1300 |
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 |
9005161 | CIF | Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 | 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, 1993, 5, 1161-1165 |
9003730 | CIF | Ca0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014 | P b c n | 14.3434; 5.7415; 5.0665 90; 90; 90 | 417.24 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A. American Mineralogist, 2005, 90, 1291-1300 |
9007252 | CIF | Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 | P b c n | 14.3191; 5.7482; 5.0713 90; 90; 90 | 417.414 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 300 C Locality: San Jose de Safira, Minas Gerais, Brazil Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9014442 | CIF | O6 Ta Ti Tm | P b c n | 14.5706; 5.5339; 5.1832 90; 90; 90 | 417.933 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
9003743 | CIF | Ca0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032 | P b c n | 14.334; 5.737; 5.096 90; 90; 90 | 419.065 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.742 from Kragero, Norway Sample: Annealed at T = 530 C for t = 92 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003745 | CIF | Ca0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032 | P b c n | 14.352; 5.74; 5.09 90; 90; 90 | 419.317 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.844 from Kragero, Norway Sample: Annealed at T = 600 C for t = 177 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003744 | CIF | Ca0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032 | P b c n | 14.352; 5.74; 5.093 90; 90; 90 | 419.564 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.817 from Kragero, Norway Sample: Annealed at T = 600 C for t = 67 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
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 |
9007254 | CIF | Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 | P b c n | 14.386; 5.7478; 5.0797 90; 90; 90 | 420.029 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 20 C Locality: Kragero, Norway Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9003742 | CIF | Ca0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03 | P b c n | 14.344; 5.739; 5.105 90; 90; 90 | 420.245 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.674 from Kragero, Norway Sample: Annealed at T = 500 C for t = 15 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9007253 | CIF | Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 | P b c n | 14.3515; 5.761; 5.0833 90; 90; 90 | 420.282 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 600 C Locality: San Jose de Safira, Minas Gerais, Brazil Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9003746 | CIF | Ca0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032 | P b c n | 14.38; 5.745; 5.088 90; 90; 90 | 420.335 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.922 from Kragero, Norway Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003747 | CIF | Ca0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033 | P b c n | 14.38; 5.75; 5.084 90; 90; 90 | 420.371 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.960 from Kragero, Norway Sample: Annealed at T = 800 C for t = 15 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003731 | CIF | Ca0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08 | P b c n | 14.4003; 5.7501; 5.0784 90; 90; 90 | 420.508 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n3p Qm=1 from Kragero, Norway American Mineralogist, 2005, 90, 1291-1300 |
9003741 | CIF | Ca0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028 | P b c n | 14.325; 5.744; 5.113 90; 90; 90 | 420.712 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.565 from Kragero, Norway Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003748 | CIF | Ca0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034 | P b c n | 14.395; 5.753; 5.083 90; 90; 90 | 420.946 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=1 from Kragero, Norway Sample: Annealed at T = 800 C for t = 24 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
2018855 | CIF | Ag N O5 Te | P b c n | 5.667; 14.202; 5.232 90; 90; 90 | 421.086 | Kazikowski, S.; Olsson, C.; Johansson, L.G. Structure of silver telluryl nitrate Ag Te O2 N O3. Acta Crystallographica C (39,1983-), 1988, 44, 427-429 |
8103683 | CIF | Mn O6 Ta2 | P b c n | 14.4219; 5.7513; 5.0816 90; 90; 90 | 421.492 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
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 |
9004109 | CIF | Fe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02 | 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 Locality: Bernic lake, Manitoba, Canada The Canadian Mineralogist, 1976, 14, 540-549 |
9011434 | CIF | Nb O6 Ti Y | P b c n | 14.6432; 5.5528; 5.1953 90; 90; 90 | 422.434 | Weitzel, H.; Schrocke, H. Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4 Zeitschrift fur Kristallographie, 1980, 152, 69-82 |
8103682 | CIF | Mn Nb2 O6 | P b c n | 14.4236; 5.7609; 5.0839 90; 90; 90 | 422.436 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
9007255 | CIF | Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 | P b c n | 14.4159; 5.7593; 5.0905 90; 90; 90 | 422.641 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 300 C Locality: Kragero, Norway Physics and Chemistry of Minerals, 2003, 30, 590-598 |
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 |
9015462 | CIF | Ho O6 Ta Ti | P b c n | 14.6236; 5.5637; 5.203 90; 90; 90 | 423.323 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
9007495 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.46 | Klein, S.; Weitzel, H. Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure Acta Crystallographica, Section A, 1976, 32, 587-591 |
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 |
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 |
9007256 | CIF | Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 | P b c n | 14.4508; 5.7741; 5.1025 90; 90; 90 | 425.754 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 600 C Sample: Kragero, Norway Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9002032 | CIF | Li0.23 Mg1.54 O6 Sc0.23 Si2 | P b c n | 9.2178; 8.7039; 5.3119 90; 90; 90 | 426.178 | Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist, 1999, 84, 245-256 |
9003434 | CIF | Mg O3 Si | P b c n | 9.154; 8.981; 5.185 90; 90; 90 | 426.27 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9002031 | CIF | Li0.23 Mg1.54 O6 Sc0.23 Si2 | P b c n | 9.2351; 8.731; 5.3216 90; 90; 90 | 429.089 | Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist, 1999, 84, 245-256 |
2310966 | CIF | Mg O3 Si | P b c n | 9.25; 8.74; 5.32 90; 90; 90 | 430.095 | Smith, J.V. The crystal structure of proto-enstatite, Mg Si O3 Acta Crystallographica (1,1948-23,1967), 1959, 12, 515-519 |
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 |
9002030 | CIF | Li0.23 Mg1.54 O6 Sc0.23 Si2 | P b c n | 9.2554; 8.765; 5.3333 90; 90; 90 | 432.656 | Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist, 1999, 84, 245-256 |
9003433 | CIF | Mg O3 Si | P b c n | 9.199; 9.026; 5.211 90; 90; 90 | 432.67 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9000597 | CIF | Li0.3 Mg1.4 O6 Sc0.3 Si2 | P b c n | 9.251; 8.773; 5.377 90; 90; 90 | 436.392 | Smyth, J. R.; Ito, J. The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene American Mineralogist, 1977, 62, 1252-1257 |
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 |
8104486 | CIF | Mg1.04 O3 Si | P b c n | 9.304; 8.902; 5.351 90; 90; 90 | 443.192 | Smyth, J.R. Protoenstatite. A crystal-structure refinement at 1100 C Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 262-274 |
9006341 | CIF | Mg O3 Si | P b c n | 9.306; 8.886; 5.36 90; 90; 90 | 443.235 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
9003432 | CIF | Mg O3 Si | P b c n | 9.268; 9.102; 5.255 90; 90; 90 | 443.298 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9006342 | CIF | Mg O3 Si | P b c n | 9.315; 8.899; 5.365 90; 90; 90 | 444.727 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1400 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
7241928 | CIF | C5 H12 | P b c n | 3.7996; 8.2477; 14.205 90; 90; 90 | 445.16 | Liu, X.; Pulham, C. R. Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane CrystEngComm, 2020, 22, 8251-8255 |
9000191 | CIF | Ca Nb2 O6 | P b c n | 14.926; 5.752; 5.204 90; 90; 90 | 446.786 | Cummings, J. P.; Simonsen, S. H. The crystal structure of calcium niobate (CaNb2O6) American Mineralogist, 1970, 55, 90-97 |
8104506 | CIF | Mg O3 Si | P b c n | 9.349; 8.929; 5.361 90; 90; 90 | 447.521 | Murakami, T.; Takeuchi, Y.; Yamanaka, T. X-ray studies on protoenstatite II. Effect of temperature on the structure up to near the incongruent melting point Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 263-275 |
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 |
2207243 | CIF Paper | Mg O5 Te2 | P b c n | 7.2391; 10.658; 5.988 90; 90; 90 | 462 | Weil, Matthias Redetermination of MgTe~2~O~5~ Acta Crystallographica, Section E, 2005, 61, i237-i239 |
9007999 | CIF | Mg O5 Te2 | P b c n | 7.2391; 10.658; 5.988 90; 90; 90 | 462 | Weil, M. Redetermination of MgTe2O5 Acta Crystallographica, Section E, 2005, 61, i237-i239 |
9012269 | CIF | P Pd Se | P b c n | 13.594; 5.8317; 5.8583 90; 90; 90 | 464.423 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
2206888 | CIF Paper | C3 H6 N2 O2 | P b c n | 5.3602; 7.5178; 11.791 90; 90; 90 | 475.14 | Nichol, Gary S.; Clegg, William Malonamide: an orthorhombic polymorph Acta Crystallographica Section E, 2005, 61, o3427-o3429 |
9007921 | CIF | Mn O5 Te2 | P b c n | 7.3114; 10.9216; 6.1711 90; 90; 90 | 492.776 | Johnston, M. G.; Harrison, W. T. A. Manganese tellurite, beta-MnTe2O5 Acta Crystallographica, Section E, 2002, 58, i59-i61 |
2201243 | CIF | Mn O5 Te2 | P b c n | 7.3114; 10.9216; 6.1711 90; 90; 90 | 492.78 | Johnston, Magnus G.; Harrison, William T. A. Managanese tellurite, β-MnTe~2~O~5~ Acta Crystallographica, Section E, 2002, 58, i59-i61 |
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 |
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 |
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 |
2020594 | CIF HKL Paper | C4 H6 O3 | P b c n | 8.0707; 7.8733; 7.9305 90; 90; 90 | 503.93 | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. Acetic anhydride at 100K: the first crystal structure determination Acta Crystallographica Section C, 2016, 72, 753-757 |
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 |
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 |
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 |
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 |
7025369 | CIF | B2 Ge O8 Tb2 | P b c n | 13.484; 4.4107; 9.264 90; 90; 90 | 551 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7025368 | CIF | B2 Gd2 Ge O8 | P b c n | 13.506; 4.417; 9.302 90; 90; 90 | 554.9 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7025367 | CIF | B2 Eu2 Ge O8 | P b c n | 13.564; 4.435; 9.334 90; 90; 90 | 561.5 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7025366 | CIF | B2 Ge O8 Sm2 | P b c n | 13.606; 4.451; 9.367 90; 90; 90 | 567.3 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7222633 | CIF | Cl H8 N4 P | P b c n | 4.708; 16.223; 7.563 90; 90; 90 | 577.646 | Horstmann, S.; Schnick, W. Synthese, Kristallstruktur und Eigenschaften von Tetraaminophosphoniumchlorid (P(NH2)4)Cl Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 127-132 |
7025365 | CIF | B2 Ge Nd2 O8 | P b c n | 13.7041; 4.482; 9.4608 90; 90; 90 | 581.1 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7153432 | CIF | C7 H5 N O2 | P b c n | 5.1445; 14.134; 8.0639 90; 90; 90 | 586.35 | McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G. Pyrrolizine-1,3-dione. Organic & biomolecular chemistry, 2010, 8, 4383-4387 |
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 |
2003899 | CIF Paper | H2 O6 Pb Se2 | P b c n | 16.381; 6.111; 5.896 90; 90; 90 | 590.2 | Koskenlinna, M.; Valkonen, J. Lead(II) Hydrogenselenite Acta Crystallographica Section C, 1995, 51, 1737-1739 |
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 |
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 |
8103977 | CIF | Cl4 Na Sc | P b c n | 6.188; 15.543; 6.367 90; 90; 90 | 612.379 | Bohnsack, A.; Meyer, G.; Wickleder, M.S. Crystal structure of sodium tetrachloroscandate, Na Sc Cl4 Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 394-394 |
9010673 | CIF | Al F3 K2 O4 S | P b c n | 10.81; 8.336; 6.822 90; 90; 90 | 614.745 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Orlandi, P. Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy Note: z-coordinate of S altered The Canadian Mineralogist, 2008, 46, 693-700 |
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 |
4511758 | CIF | As K O3 | P b c n | 11.3246; 11.4255; 4.8816 90; 90; 90 | 631.63 | Stöger, Berthold; Dušek, Michal Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3 Crystal Growth & Design, 2014, 14, 4640 |
4344162 | CIF | Ce F6 H8 N2 | P b c n | 7.026; 12.098; 7.439 90; 90; 90 | 632.319 | Ryan, R.R.; Kruse, F.H.; Larson, A.C. Crystal Structure of Ammonium Hexafluorocerate(IV), (N H4)2 Ce F6 Inorganic Chemistry, 1969, 8, 33-36 |
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 |
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 |
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 |
7103637 | CIF | C3 H4 N O | P b c n | 8.3253; 11.5995; 6.7148 90; 90; 90 | 648.44 | Holbrey, John D.; Reichert, W. Matthew; Tkatchenko, Igor; Bouajila, Ezzedine; Walter, Olaf; Tommasi, Immacolata; Rogers, Robin D. 1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adduct Chemical Communications (Cambridge, United Kingdom), 2003, 28-29 |
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 |
7103638 | CIF | C6 H8 N2 O2 | P b c n | 8.334; 11.605; 6.706 90; 90; 90 | 648.5 | Holbrey, John D.; Reichert, W. Matthew; Tkatchenko, Igor; Bouajila, Ezzedine; Walter, Olaf; Tommasi, Immacolata; Rogers, Robin D. 1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adduct Chemical Communications (Cambridge, United Kingdom), 2003, 28-29 |
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 |
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 |
9001042 | CIF | Na2 O9 Si2 Ti2 | P b c n | 8.7128; 5.2327; 14.487 90; 90; 90 | 660.484 | Sundberg, M. R.; Lehtinen, M.; Kivekas, R. Refinement of the crystal structure of ramsayite (lorenzenite) American Mineralogist, 1987, 72, 173-177 |
8104440 | CIF | Cr F3 H10 O5 | P b c n | 10.396; 8.06; 7.965 90; 90; 90 | 667.401 | Herbstein, F.H.; Kapon, M.; Reisner, G.M. Crystal structures of chromium(III) fluoride trihydrate and chromium(III) fluoride pentahydrate. Structural chemistry of hydrated transition metal fluorides. Thermal decomposition of chromium(III) fluoride nonahydrate Zeitschrift fuer Kristallographie (149,1979-), 1985, 171, 209-224 |
2018339 | CIF HKL Paper | Cl2 H8 Mg O4 | P b c n | 7.2557; 8.4285; 11.0412 90; 90; 90 | 675.22 | Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O Acta Crystallographica Section C, 2012, 68, i4-i6 |
4314284 | CIF | C6 H6 N4 Ni | P b c n | 7.388; 8.755; 10.489 90; 90; 90 | 678.4 | Norberto Masciocchi; Fulvio Castelli; Paul M. Forster; Maya M. Tafoya; Anthony K. Cheetham Synthesis and Characterization of Two Polymorphic Crystalline Phases and an Amorphous Powder of Nickel(II) Bisimidazolate Inorganic Chemistry, 2003, 42, 6147-6152 |
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 |
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 |
9013115 | CIF | Fe1.345 Mn0.559 Nb1.691 O10 Sn0.016 Ta0.351 Ti0.102 W0.919 | P b c n | 23.706; 5.723; 5.045 90; 90; 90 | 684.452 | Zhizhong, P.; Su, W.; Zhesheng, M.; Guangming, Y. The crystal structure of qitianlingite (Fe2Nb2WO10) Kexue Tongbao, 1988, 33, 856-861 |
2236787 | CIF HKL Paper | C6 H4 N4 S | P b c n | 3.9231; 13.8213; 12.6465 90; 90; 90 | 685.72 | Ziegler, Christopher J.; Nemykin, Victor N. 2,5-Diaminothiophene-3,4-dicarbonitrile Acta Crystallographica Section E, 2012, 68, o2693 |
6000272 | CIF | Ni7 P5 Si2 | P b c n | 23.84; 5.925; 4.922 90; 90; 90 | 695.24 | Oryshchyn, S. V.; Babizhets'ky, V. S.; Kuz'ma, Y. B.; Glowiak, T. Preparation and crystal structure of the Ni7Si2P5 phosphide Zeitschrift für Kristallographie, 1999, 214, 337-340 |
7230340 | CIF | Bi2 O9 W2 | P b c n | 23.705; 5.4148; 5.4345 90; 90; 90 | 697.56 | Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties CrystEngComm, 2018, 20, 2669 |
2243691 | CIF HKL Paper | K Lu Mo2 O8 | P b c n | 5.0292; 18.2519; 7.8174 90; 90; 90 | 717.58 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
2019437 | CIF Paper | C4 N4 S3 | P b c n | 3.897; 16.881; 10.91 90; 90; 90 | 717.7 | Jones, Ray Three trithiadiazepines and a trithiatriazepine Acta Crystallographica Section C, 2014, 70, 60-66 |
9010405 | CIF | Al2 O9 Pb2 Si2 | P b c n | 6.8981; 10.6906; 9.7413 90; 90; 90 | 718.37 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G. Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9) American Mineralogist, 2008, 93, 573-583 |
2243690 | CIF HKL Paper | K Mo2 O8 Yb | P b c n | 5.0417; 18.3039; 7.8693 90; 90; 90 | 726.2 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
2243689 | CIF HKL Paper | Er K Mo2 O8 | P b c n | 5.0602; 18.1965; 7.892 90; 90; 90 | 726.68 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
7206221 | CIF | C5 H5 Br2 N3 | P b c n | 12.267; 11.93; 4.9664 90; 90; 90 | 726.8 | Pilati, Tullio; Cozzi, Franco Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers CrystEngComm, 2011, 13, 4549 |
2243687 | CIF HKL Paper | Dy K Mo2 O8 | P b c n | 5.0776; 18.1214; 7.9428 90; 90; 90 | 730.84 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
2243688 | CIF HKL Paper | Ho K Mo2 O8 | P b c n | 5.077; 18.161; 7.934 90; 90; 90 | 731.5 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
2227193 | CIF HKL Paper | Al2 Ca2 O9 Sn2 | P b c n | 8.9866; 5.4894; 14.903 90; 90; 90 | 735.18 | Yamane, Hisanori; Abe, Shunsuke; Tu, Rong; Goto, Takashi A ramsayite-type oxide, Ca~2~Sn~2~Al~2~O~9~ Acta Crystallographica Section E, 2010, 66, i72 |
2243686 | CIF HKL Paper | K Mo2 O8 Tb | P b c n | 5.0826; 18.1273; 7.9875 90; 90; 90 | 735.92 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
9002206 | CIF | H8 Na O8 Si2 | P b c n | 4.946; 20.502; 7.275 90; 90; 90 | 737.706 | Garvie, L. A. J.; Devouard, B.; Groy, T. L.; Camara, F.; Buseck, P. R. Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia American Mineralogist, 1999, 84, 1170-1175 |
9005380 | CIF | H6 Na O8 Si2 | P b c n | 4.946; 20.51; 7.277 90; 90; 90 | 738.197 | Vortmann, S.; Rius, J.; Marler, B.; Gies, H. Structure solution from powder data of the hydrous layer silicate kanemite, a precursor of the industrial ion exchanger SKS-6 European Journal of Mineralogy, 1999, 11, 125-134 |
7234030 | CIF | Gd K Mo2 O8 | P b c n | 5.11465; 18.0858; 8.046 90; 90; 90 | 744.275 | Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I. Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1) CrystEngComm, 2019, 21, 6460 |
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 |
7015931 | CIF | C2 H0.5 Mn O4.25 | P b c n | 9.01; 7.117; 11.755 90; 90; 90 | 753.8 | Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Hao, Xiang; Zhu, Daoben Mn(C(2)O(4))(H(2)O)(0.25): an antiferromagnetic oxalato-based cage compound. Dalton transactions (Cambridge, England : 2003), 2011, 40, 5430-5432 |
2007470 | CIF Paper | C7 H12 O4 | P b c n | 7.7068; 10.1645; 9.691 90; 90; 90 | 759.2 | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip 1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane Acta Crystallographica Section C, 1998, 54, 1019-1023 |
7100916 | CIF | C6 H4 Br2 O3 | P b c n | 5.4011; 12.8974; 10.9478 90; 90; 90 | 762.63 | A. Nangia; Binoy K. Saha First example of ice-like boat water hexamer tape structure in a supramolecular organic host Chemical Communications, 2006 |
9001361 | CIF | Fe0.32 Mn1.68 O9 Pb2 Si2 | P b c n | 6.961; 11.018; 9.964 90; 90; 90 | 764.202 | Moore, P. B.; Sen Gupta, P. K.; Shen, J.; Schlemper, E. O. The kentrolite-melanotekite series, 4Pb2(Mn,Fe)2O2[Si2O7]: Chemical crystallographic relations, lone-pair splitting, and cation relation to 8URe2 American Mineralogist, 1991, 76, 1389-1399 |
2101482 | CIF Paper | C7 H3 N3 O4 | P b c n | 13.081; 9.027; 6.545 90; 90; 90 | 772.8 | Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B, 1996, 52, 344-351 |
9010403 | CIF | Fe2 O9 Pb2 Si2 | P b c n | 6.9788; 11.0164; 10.0881 90; 90; 90 | 775.586 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G. Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9) American Mineralogist, 2008, 93, 573-583 |
7062688 | CIF | F2 Mg2 O7 Pb2 Si2 | P b c n | 7.0395; 10.9134; 10.0979 90; 90; 90 | 775.77 | Zhang, Zhiyuan; Deng, Lihan; Xu, Die; Hu, Mei; Wu, Zhencheng; Su, Xin; Huang, Yineng Mg2Pb2Si2O7F2: a new lead-containing alkali earth metal silicate fluoride with a short cutoff edge New Journal of Chemistry, 2023, 47, 17413-17419 |
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 |
2214284 | CIF HKL Paper | C9 H5 N O3 | P b c n | 5.0654; 18.8003; 8.1609 90; 90; 90 | 777.17 | Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova The pyridinium-betaine of squaric acid Acta Crystallographica Section E, 2007, 63, o3259-o3259 |
7036337 | CIF HKL | Mo2 O8 Rb Sm | P b c n | 5.09838; 18.97424; 8.04487 90; 90; 90 | 778.24 | V.V. Atuchin; A.S. Aleksandrovsky; O.D.Chimitova; Cheng-Peng Diao; T.A. Gavrilova; V.G. Kesler; M.S. Molokeev; A.S. Krylov; B.G. Bazarov; J.G. Bazarova; Zheshuai Lin Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates Dalton Transactions, 2015, 44, 1805-1815 |
4127195 | CIF | F Fe Li0.885 Na0.726 O4 P | P b c n | 5.0137; 13.9038; 11.1839 90; 90; 90 | 779.62 | Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M. The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes. Journal of the American Chemical Society, 2018 |
2106227 | CIF | H10 N2 O7 U | P b c n | 5.789; 11.55; 11.666 90; 90; 90 | 780.023 | Adrian, H.W.W.; van Tets, A. A low temperature neutron and X-ray diffraction study of U O2 (N H2 O)2 (H2 O)3 Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2997-3000 |
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 |
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 |
7709412 | CIF | Al2 B3 F3 O8 Pb2 | P b c n | 9.8591; 8.6238; 9.3131 90; 90; 90 | 791.83 | Jiang, Bao; Shu, Shan; Yang, Zhihua; Zhang, Fangfang; Zhang, Min; Pan, Shilie Pb2Al2B3O8F3: Structure and Properties of a New Fluoroaluminoborate with Non-traditional Chain-like B3O8 Group Dalton Transactions, 2022 |
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 |
4501308 | CIF | C8 H7 N O4 | P b c n | 3.6585; 14.7575; 14.6863 90; 90; 90 | 792.92 | Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors Crystal Growth & Design, 2011, 11, 4305 |
4002307 | CIF | H2 I2 O9 U | P b c n | 8.452; 7.707; 12.271 90; 90; 90 | 799.328 | Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E. Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions Chemistry of Materials (1,1989-), 2001, 13, 1266-1272 |
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 |
7014371 | CIF | Al1.4 N9.6 Nd O0.4 Si5.6 | P b c n | 9.306; 9.7224; 8.8777 90; 90; 90 | 803.22 | Huang, Saifang; Huang, Zhaohui; Liu, Yan-gai; Fang, Minghao Crystal structure of NdSi(6-z)Al(1+z)O(z)N(10-z) (z = 0.4) determined by single-crystal X-ray diffraction. Dalton transactions (Cambridge, England : 2003), 2011, 40, 1261-1266 |
2011898 | CIF HKL Paper | C6 H10 O4 Se | P b c n | 8.5981; 5.1355; 18.2159 90; 90; 90 | 804.33 | Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W. 3,3'-Selenobis(propionic acid) Acta Crystallographica Section C, 2001, 57, 439-440 |
7156506 | CIF | C6 H6 N8 O2 | P b c n | 8.0308; 7.8229; 12.8172 90; 90; 90 | 805.23 | Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties. Organic & biomolecular chemistry, 2018, 16, 8034-8037 |
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 |
2006975 | CIF | Fe1.78 Ge2.11 Mg0.11 O9 Pb2 | P b c n | 7.1486; 11.163; 10.145 90; 90; 90 | 809.6 | Barbier, Jacques; Lévy, David Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite Acta Crystallographica Section C, 1998, 54, 02-05 |
7058576 | CIF | B4 H4 K2 O9 | P b c n | 10.205; 6.629; 12.045 90; 90; 90 | 814.8 | Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks New Journal of Chemistry, 2019, 43, 11660 |
1559469 | CIF | C8 H12 N2 O2 | P b c n | 15.072; 7.9873; 6.841 90; 90; 90 | 823.55 | Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894 |
4127196 | CIF | F Fe Na O4 P | P b c n | 5.1288; 14.0853; 11.404 90; 90; 90 | 823.83 | Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M. The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes. Journal of the American Chemical Society, 2018 |
4305279 | CIF | C8 H8 Cu4 N6 O2 | P b c n | 8.1953; 7.5577; 13.4593 90; 90; 90 | 833.64 | Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide Inorganic Chemistry, 2008, 47, 5866-5872 |
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 |
2021793 | CIF HKL Paper | C6 H8 Cu N2 O4 S | P b c n | 7.0852; 7.2052; 16.431 90; 90; 90 | 838.81 | Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine Acta Crystallographica Section C, 2019, 75 |
7203980 | CIF | Co F Na2 O4 P | P b c n | 5.2475; 13.795; 11.689 90; 90; 90 | 846.2 | Sanz, Francisca; Parada, Carmen; Ruíz-Valero, Caridad Crystal growth, crystal structure and magnetic properties of disodium cobalt fluorophosphate Journal of Materials Chemistry, 2001, 11, 208 |
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 |
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 |
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 |
9009277 | CIF | Ca0.5 H2 O5 P Zn | P b c n | 17.16399; 7.415; 6.673 90; 90; 90 | 849.279 | Hill, R. J.; Johnson, J. E.; Jones, J. B. Scholzite and other phosphate minerals from Reaphook Hill, South Australia Neues Jahrbuch fur Mineralogie, Monatshefte, 1973, 1973, 1-8 |
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 |
2020836 | CIF HKL Paper | C12 H9 F | P b c n | 5.6462; 20.739; 7.292 90; 90; 90 | 853.9 | Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J. Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls Acta Crystallographica Section C, 2017, 73 |
4344284 | CIF | Fe2 Mo P12 | P b c n | 13.725; 5.672; 11.092 90; 90; 90 | 863.492 | Floerke, U.; Jeitschko, W. Preparation, physical properties, and crystal structure of Mo Fe2 P12 and W Fe2 P12 Inorganic Chemistry, 1983, 22, 1736-1739 |
7020819 | CIF | C3 H14 N2 O5 P2 | P b c n | 11.5649; 8.9009; 8.3936 90; 90; 90 | 864.02 | David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties. Dalton transactions (Cambridge, England : 2003), 2013, 42, 2414-2422 |
7214420 | CIF | C3 H9 N | P b c n | 23.287; 6.2354; 5.9794 90; 90; 90 | 868.23 | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines CrystEngComm, 2014, 16, 3867 |
7209407 | CIF | Au2 Gd4 O9 | P b c n | 11.922; 6.1242; 11.917 90; 90; 90 | 870.092 | Steiner, C.; Range, K.J.; Andratschke, M. Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 811-816 |
7209410 | CIF | Au2 Nd4 O9 | P b c n | 11.938; 6.126; 11.928 90; 90; 90 | 872.321 | Range, K.J.; Steiner, C.; Andratschke, M. Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 811-816 |
2223599 | CIF HKL Paper | C10 H6 S2 | P b c n | 10.6325; 10.8713; 7.56 90; 90; 90 | 873.85 | Harcourt, Emily M.; Lynch, Daniel E.; Hamilton, Darren G. Bis(2-thienyl)acetylene Acta Crystallographica Section E, 2009, 65, o2484 |
2311433 | CIF Paper | C9 H6 O S2 | P b c n | 3.9464; 11.5015; 19.297 90; 90; 90 | 875.88 | Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1560-1562 |
2107194 | CIF | Au Cl4 H4 K O2 | P b c n | 11.639; 10.012; 7.548 90; 90; 90 | 879.566 | Theobald, F.R.; Omrani, H. Structure du Tetrachloroaurate(III) de Potassium Dihydrate Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2932-2935 |
4306749 | CIF | Ca7 Ge N6 | P b c n | 10.826; 6.194; 13.121 90; 90; 90 | 879.8 | Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations Inorganic Chemistry, 2008, 47, 12018-12023 |
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 |
7056743 | CIF | C4 H6 N6 Ni S2 | P b c n | 8.109; 14.882; 7.304 90; 90; 90 | 881.4 | Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J. Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies New Journal of Chemistry, 2017 |
2230975 | CIF HKL Paper | Li2 O12 P3 Ti2 | P b c n | 12.0344; 8.5795; 8.6794 90; 90; 90 | 896.14 | Kee, Yongho; Lee, Seoung-Soo; Yun, Hoseop The mixed-valent titanium phosphate, Li~2~Ti~2~(PO~4~)~3~, dilithium dititanium(III/IV) tris(orthophosphate) Acta Crystallographica, Section E, 2011, 67, i49-i49 |
2020217 | CIF | Li2 Mg2 O12 S3 | P b c n | 12.165; 8.538; 8.689 90; 90; 90 | 902.481 | Touboul, M.; Quarton, M.; Lokaj, J.; Kettmann, V. Structure of dilithium dimagnesium trisulfate Acta Crystallographica C (39,1983-), 1988, 44, 1887-1889 |
2015607 | CIF HKL Paper | C7 H7 I2 N | P b c n | 7.6194; 14.6296; 8.1057 90; 90; 90 | 903.53 | Pugh, David 2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine Acta Crystallographica Section C, 2006, 62, o590-o592 |
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 |
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 |
4030508 | CIF | Nb1.5 O12 P3 Sb0.5 | P b c n | 12.0769; 8.6732; 8.7293 90; 90; 90 | 914.354 | Jouanneaux, A.; Fitch, A. N.; Oyetola, S.; Verbaere, A.; Guyomard, D.; Piffard, Y. The (MIII1/2M'V3/3)(PO4)3 compounds, M = Sb, Nd, Eu, Bi; M' = Sb, Nb, Ta. Preparation and structure European Journal of Solid State and Inorganic Chemistry, 1993, 30, 125-137 |
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 |
2203357 | CIF HKL Paper | F5 H2 Na O U | P b c n | 6.9928; 8.7617; 15.0426 90; 90; 90 | 921.64 | Andreas Fischer; Zoltán Szabó Sodium pentafluorouranate(IV) monohydrate, Na[UF~5~]·H~2~O Acta Crystallographica Section E, 2004, 60, i45-i46 |
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 |
2007471 | CIF Paper | C9 H12 O4 | P b c n | 10.175; 9.6082; 9.577 90; 90; 90 | 936.3 | Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip 1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane Acta Crystallographica Section C, 1998, 54, 1019-1023 |
1561400 | CIF | F2 Mn2 O7 Rb2 V2 | P b c n | 7.4389; 11.574; 10.914 90; 90; 90 | 939.7 | Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F Journal of Solid State Chemistry, 2016, 241, 30-37 |
7059404 | CIF | Cs Mg2 O10 P3 | P b c n | 7.881; 8.6992; 13.7382 90; 90; 90 | 941.87 | Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges New Journal of Chemistry, 2020, 44, 6771-6777 |
2211189 | CIF HKL Paper | C4 H8 Co N5 O7 | P b c n | 8.4127; 11.366; 9.859 90; 90; 90 | 942.7 | Rubin-Preminger, Janice M.; Englert, Ulli <i>trans</i>-Aquabis(glyoximato-κ^2^<i>N</i>,<i>N</i>')nitrocobalt(III) Acta Crystallographica Section E, 2006, 62, m2972-m2973 |
7701361 | CIF | Li Mo O6 P | P b c n | 12.1141; 8.9251; 8.7389 90; 90; 90 | 944.85 | Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6 Dalton Transactions, 2019 |
4323142 | CIF | C2 H8 B10 F4 | P b c n | 6.808; 11.777; 11.856 90; 90; 90 | 950.6 | Konstantin A. Lyssenko; Mikhail Yu. Antipin; Viatcheslav N. Lebedev Topological Analysis of the Electron Density Distribution in the Crystal of 8,9,10,12-Tetrafluoro-o-carborane on the Basis of the High-Resolution X-ray Diffraction Data at 120 K Inorganic Chemistry, 1998, 37, 5834-5843 |
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 |
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 |
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 |
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 |
2227845 | CIF HKL Paper | C8 H8 Na2 O8 | P b c n | 8.9053; 8.6395; 12.527 90; 90; 90 | 963.8 | Wu, Jiang; Zhu, Hong-lin Poly[[μ~10~-2,3-bis(carboxymethyl)butanedioato]disodium] Acta Crystallographica Section E, 2010, 66, m1419 |
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 |
4511941 | CIF | C8 In N O8 | P b c n | 9.60049; 9.03411; 11.17851 90; 90; 90 | 969.53 | Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework Crystal Growth & Design, 2014, 14, 5310 |
2242167 | CIF HKL Paper | Fe Mn2 O12 P3 Sr | P b c n | 6.4304; 17.8462; 8.4906 90; 90; 90 | 974.37 | Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates) Acta Crystallographica Section E, 2017, 73, 767-770 |
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 |
6000166 | CIF | H2 N3 O11 Rb Zr | P b c n | 10.126; 16.492; 5.855 90; 90; 90 | 977.77 | Benard-Rocherulle, P.; Louer, D. Ab initio structure determination of new mixed zirconium hydroxide nitrates ZrM(OH)(2)(NO3)(3) (M = K, Rb) from X-ray powder diffraction data Journal of Solid State Chemistry, 2000, 149, 167-175 |
7157812 | CIF | C8 H10 O4 S2 | P b c n | 10.1116; 12.9234; 7.4954 90; 90; 90 | 979.47 | Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru <i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. Organic & biomolecular chemistry, 2021, 19, 446-456 |
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 |
2214521 | CIF HKL Paper | C6 H14 N2 O4 Zn | P b c n | 12.1335; 7.7866; 10.4078 90; 90; 90 | 983.32 | Kim, Young-Inn; Lee, You-Soon; Seo, Hoe-Joo; Kang, Sung Kwon Diacetato(ethylenediamine)zinc(II) Acta Crystallographica Section E, 2007, 63, m2239-m2240 |
1561401 | CIF | Cs2 F2 Mn2 O7 V2 | P b c n | 7.5615; 11.745; 11.127 90; 90; 90 | 988.2 | Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F Journal of Solid State Chemistry, 2016, 241, 30-37 |
2242166 | CIF HKL Paper | Ba Fe Mn2 O12 P3 | P b c n | 6.5899; 17.6467; 8.5106 90; 90; 90 | 989.7 | Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates) Acta Crystallographica Section E, 2017, 73, 767-770 |
2103338 | CIF Paper | C8 H10 Cu O7 | P b c n | 6.874; 22.9815; 6.2999 90; 90; 90 | 995.23 | Kaduk, James A. Terephthalate salts of dipositive cations Acta Crystallographica Section B, 2002, 58, 815-822 |
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 |
2014407 | CIF Paper | C6 H10 N2 S2 Sn | P b c n | 14.449; 5.5526; 12.66 90; 90; 90 | 1015.7 | Britton, Doyle Dimethyl- and diethyldithiocyanatotin(IV) Acta Crystallographica Section C, 2006, 62, m93-m94 |
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 |
2243437 | CIF | C12 H14 O3 | P b c n | 12.9747; 10.5449; 7.48 90; 90; 90 | 1023.39 | Fortes, A. Dominic Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion Acta Crystallographica Section E, 2020, 76, 1062-1069 |
7226675 | CIF | C10 H12 N2 O4 | P b c n | 15.589; 5.2685; 12.4962 90; 90; 90 | 1026.32 | Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul Pyridine N-oxides as coformers in the development of drug cocrystals CrystEngComm, 2016, 18, 8454 |
7214421 | CIF | C4 H11 N | P b c n | 26.7852; 6.8166; 5.6703 90; 90; 90 | 1035.31 | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines CrystEngComm, 2014, 16, 3867 |
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 |
2229774 | CIF HKL Paper | C5 H8 N8 S2 | P b c n | 6.415; 7.314; 22.204 90; 90; 90 | 1041.8 | Wei, Wei; Xia, Zheng-qiang; Chen, San-ping; Gao, Sheng-li Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane Acta Crystallographica Section E, 2011, 67, o999 |
4031377 | CIF | H6 S Si2 | P b c n | 8.14; 14.76; 8.68 90; 90; 90 | 1042.87 | Barrow, M.J.; Ebsworth, E.A.V. Crystal and molecular structures of disilyl sulphide (at 120 K) and of disilyl selenide (at 125 K) and comparison with crystalline disilyl oxide Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1982, 1982, 211-216 |
4306748 | CIF | Ge N6 Sr7 | P b c n | 11.526; 6.5866; 13.836 90; 90; 90 | 1050.4 | Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations Inorganic Chemistry, 2008, 47, 12018-12023 |
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 |
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 |
2017364 | CIF HKL Paper | C6 H54 Ag2 N5 S2 | P b c n | 17.719; 8.159; 7.326 90; 90; 90 | 1059.1 | Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)] Acta Crystallographica Section C, 2009, 65, m377-m381 |
2221069 | CIF HKL Paper | C14 H9 N O2 | P b c n | 5.548; 23.801; 8.025 90; 90; 90 | 1059.7 | Izotova, L. Yu.; Ashurov, J. M.; Ibragimov, B. T.; Weber, E. A new polymorph of <i>N</i>-phenylphthalimide Acta Crystallographica Section E, 2009, 65, o658 |
2310562 | CIF | P4 S6.78 | P b c n | 8.14; 11.43; 11.39 90; 90; 90 | 1059.73 | Dixon, D.T.; Einstein, F.W.B.; Penfold, B.R. The molecular and crystal structure of sulfur-deficient tetraphosphorus heptasulfide (P4 S7 - beta) Acta Crystallographica (1,1948-23,1967), 1965, 18, 221-225 |
4026816 | CIF | F5 Fe H8 N2 | P b c n | 7.6223; 13.4408; 10.4167 90; 90; 90 | 1067.19 | Fourquet, J L; Le Bail, A; Duroy, H; Moron, M C (NH4)2FeF5 : crystal structures of its alpha and beta forms European Journal of Solid State and Inorganic Chemistry, 1989, 26, 435-443 |
2243436 | CIF | C12 H14 O3 | P b c n | 13.1334; 10.6781; 7.6125 90; 90; 90 | 1067.57 | Fortes, A. Dominic Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion Acta Crystallographica Section E, 2020, 76, 1062-1069 |
4302478 | CIF | In1.843 Sb4 Zn5 | P b c n | 7.1619; 17.1562; 8.6887 90; 90; 90 | 1067.59 | Yang Wu; Sven Lidin; Thomas L. Groy; Nathan Newman; Ulrich Häussermann Zn5Sb4In2-δ- a Ternary Derivative of Thermoelectric Zinc Antimonides Inorganic Chemistry, 2009, 48, 5996-6003 |
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 |
7231631 | CIF | H4 Na2 O13 Si4 Sn | P b c n | 8.7892; 7.4533; 16.4801 90; 90; 90 | 1079.59 | Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O. Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase CrystEngComm, 2018, 20, 7479 |
2011872 | CIF HKL Paper | C6 H6 Cl2 Cu N4 S2 | P b c n | 9.494; 15.936; 7.137 90; 90; 90 | 1079.8 | Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y. Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N</i>^3^,<i>N</i>^3'^)copper(II) Acta Crystallographica Section C, 2001, 57, 354-355 |
6000107 | CIF | O12 S3 Y2 | P b c n | 12.7397; 9.1676; 9.2608 90; 90; 90 | 1081.59 | Wickleder, M. S. Anhydrous sulfates of rare earth elements: Syntheses and crystal structures of Y-2(SO4)(3) and Sc-2(SO4)(3) Zeitschrift Fur Anorganische Und Allgemeine Chemie, 2000, 626, 1468-1472 |
4102219 | CIF | C10 H10 N2 O4 | P b c n | 11.65; 5.8419; 15.9102 90; 90; 90 | 1082.82 | Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore Masked Cyanoacrylates Unveiled by Mechanical Force Journal of the American Chemical Society, 2010, 132, 4558-4559 |
4107147 | CIF | C10 H10 N2 O4 | P b c n | 11.65; 5.8419; 15.9102 90; 90; 90 | 1082.82 | Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores Journal of the American Chemical Society, 2011, 133, 18992-18998 |
8100751 | CIF | C10 H12 N2 O4 | P b c n | 16.006; 5.308; 12.766 90; 90; 90 | 1084.6 | Ye, Ming-De; Hu, Mao-Lin; Yuan, Ji-Xin; Wang, Shun Crystal structure of 2,2'-bipyridine-1,1'-dioxide dihydrate, C~10~H~8~N~2~O~2~ · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 497-498 |
2243435 | CIF | C12 H14 O3 | P b c n | 13.0747; 10.9656; 7.5822 90; 90; 90 | 1087.07 | Fortes, A. Dominic Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion Acta Crystallographica Section E, 2020, 76, 1062-1069 |
4349864 | CIF | C6 H8 Cd N6 S2 | P b c n | 13.3099; 10.2168; 8.0515 90; 90; 90 | 1094.88 | Wang, Lusha; Xu, Xinxin; Wang, Yun; Wang, Xinjiao; Shi, Fa-nian Sulfur vacancy-rich CdS loaded on filter paper-derived 3D nitrogen-doped mesoporous carbon carrier for photocatalytic VOC removal Inorganic Chemistry Frontiers, 2018, 5, 1470 |
7205362 | CIF | C6 H8 Cd N6 S2 | P b c n | 13.3271; 10.2322; 8.0646 90; 90; 90 | 1099.73 | Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand CrystEngComm, 2011, 13, 1697 |
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 |
8100703 | CIF | C4 H8 Br4 O2 Sn | P b c n | 8.7678; 11.2927; 11.1746 90; 90; 90 | 1106.42 | Bauer, Matthew; Kouvetakis, John; Groy, Thomas L. Crystal structure of tin tetrabromodioxane, SnBr~4~ · (C~4~H~8~O~2~), a one dimensional polymer of Sn(IV) Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 421-422 |
4344523 | CIF | C4 H6 K2 N4 O3 Pt | P b c n | 13.426; 11.848; 6.956 90; 90; 90 | 1106.5 | Washecheck, D.M.; Reis, A.H.jr.; Peterson, S.; Williams, J.M. Crystal and molecular structure by neutron diffraction of potassium tetracyanoplatinate(II) trihydrate, the starting product for partially oxidized conducting cyanoplatinate salts Inorganic Chemistry, 1976, 15, 74-78 |
7212272 | CIF | C12 H8 N4 O3 | P b c n | 5.542; 12.465; 16.069 90; 90; 90 | 1110.1 | Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH) CrystEngComm, 2010, 12, 4287 |
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 |
7131900 | CIF | C5 H7 N3 | P b c n | 21.861; 6.7837; 7.501 90; 90; 90 | 1112.4 | Rastogi, Gaurav K.; Deb, Mohit L.; Baruah, Pranjal K. Copper-catalysed dehydrogenative self-coupling/cyclization of 5-aminopyrazoles: synthesis and photophysical study of pyridazines. Chemical communications (Cambridge, England), 2023, 59, 9642-9645 |
9013675 | CIF | H2 O5.5 Pb Si2 | P b c n | 13.2083; 9.7832; 8.6545 90; 90; 90 | 1118.33 | Kampf, A. R.; Rossman, G. R.; Housley, R. M. Plumbophyllite, a new species from the Blue Bell claims near Baker, San Bernardino County, California Locality: Blue Bell claims near Baker, San Bernardino County, California, USA American Mineralogist, 2009, 94, 1198-1204 |
1567263 | CIF | F6 H4 N Na Ti | P b c n | 8.034; 12.953; 10.755 90; 90; 90 | 1119.2 | Popov, D. Yu.; Kavun, V. Ya.; Antokhina, T. F.; Gerasimenko, A. V.; Sergienko, V. I. Crystal Structure of NH4NaTiF6 and Internal Mobility of the Complex Anions Russian Journal of Coordination Chemistry, 2001, 27, 831-834 |
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 |
2243849 | CIF HKL Paper | C14 H6 F4 O2 | P b c n | 7.0588; 7.4008; 21.5265 90; 90; 90 | 1124.56 | Brown, Loren C.; Balaich, Gary J. Crystal structure of 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione Acta Crystallographica Section E, 2021, 77, 700-702 |
4350425 | CIF | C11 H5 B F6 N2 O2 | P b c n | 9.554; 12.21; 9.679 90; 90; 90 | 1129.1 | Maeda, Hiromitsu; Ito, Yoshihiro BF2 complex of fluorinated dipyrrolyldiketone: a new class of efficient receptor for acetate anions. Inorganic chemistry, 2006, 45, 8205-8210 |
2215062 | CIF HKL Paper | C4 H2 N4 S6 Zn | P b c n | 12.983; 11.448; 7.6035 90; 90; 90 | 1130.1 | Zhang, Xiu-Ling; An, Ning; Qiu, Yu-E.; Zhang, Cun-Lan; Wang, Yi-Chun Poly[bis(μ~2~-5-thioxo-1<i>H</i>-1,2,4-thiadiazole-3-thiolato-κ^2^<i>S</i>^3^:<i>S</i>^5^)zinc(II)] Acta Crystallographica Section E, 2007, 63, m2432-m2433 |
1567264 | CIF | Cs F6 Li Ti | P b c n | 9.251; 11.92; 10.271 90; 90; 90 | 1132.6 | Popov, D. Yu.; Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Antokhina, T. F. Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of Complex Anions Russian Journal of Coordination Chemistry, 2002, 28, 19-24 |
7117750 | CIF | C6 H6 S0.91 Se0.09 | P b c n | 13.856; 11.425; 7.1934 90; 90; 90 | 1138.7 | Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row Organic alloys of room temperature liquids thiophenol and selenophenol Chem.Commun., 2015, 51, 14255 |
7117749 | CIF | C6 H6 S0.95 Se0.05 | P b c n | 13.8535; 11.4448; 7.1913 90; 90; 90 | 1140.2 | Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row Organic alloys of room temperature liquids thiophenol and selenophenol Chem.Commun., 2015, 51, 14255 |
4511024 | CIF | C8 H12 O10 Sr | P b c n | 11.286; 9.1194; 11.107 90; 90; 90 | 1143.1 | Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces. ACS applied materials & interfaces, 2009, 1, 35-38 |
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 |
1562911 | CIF | H6 O15 P2 U Zn4 | P b c n | 8.8817; 6.6109; 19.5693 90; 90; 90 | 1149.03 | Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C. Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units Journal of Solid State Chemistry, 2012, 196, 482-488 |
2209245 | CIF HKL Paper | C14 H14 S | P b c n | 13.9913; 11.3985; 7.2081 90; 90; 90 | 1149.55 | Hansson, Christian Dibenzyl sulfide at 150 K Acta Crystallographica Section E, 2006, 62, o2377-o2379 |
4337527 | CIF | C10 H10 F5 N2 Nb O | P b c n | 11.9876; 6.7669; 14.1792 90; 90; 90 | 1150.2 | Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R. From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species. Inorganic chemistry, 2014, 53, 537-542 |
7706385 | CIF | C6 Co K3 N6 | P b c n | 10.3511; 8.3612; 13.3549 90; 90; 90 | 1155.83 | Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>. Dalton transactions (Cambridge, England : 2003), 2021, 50, 1990-1994 |
7706417 | CIF | C6 Co K3 N6 | P b c n | 10.3511; 8.3612; 13.3549 90; 90; 90 | 1155.83 | Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding. Dalton transactions (Cambridge, England : 2003), 2021, 50, 2510-2520 |
6000484 | CIF | C3 H12 Co2 N2 O9 P2 | P b c n | 22.894; 7.568; 6.697 90; 90; 90 | 1160.33 | Choudhury, A.; Natarajan, S.; Rao, C. N. R. Layered cobalt phosphates by the amine phosphate route Journal of Solid State Chemistry, 2000, 155, 62-70 |
2000263 | CIF Paper | C14 H10 N4 | P b c n | 16.439; 9.448; 7.478 90; 90; 90 | 1161.5 | Huang, N.-T.; Pennington, W. T.; Petersen, J. D. Structure of 2,3-bis(2-pyridyl)pyrazine Acta Crystallographica Section C, 1991, 47, 2011-2012 |
7702406 | CIF | C10 H10 Ag N5 O3 | P b c n | 3.822; 15.405; 19.739 90; 90; 90 | 1162.2 | Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G. Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine † Journal of the Chemical Society, Dalton Transactions, 1999, 3121 |
7009732 | CIF | C6 H10 N4 O4 S2 Zn | P b c n | 14.831; 6.901; 11.379 90; 90; 90 | 1164.6 | Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E. The influence of hydrogen bonding on the structure of zinc co-ordination polymers † Journal of the Chemical Society, Dalton Transactions, 2000, 3845 |
7204198 | CIF | C1.5 N O4.5 P Zn | P b c n | 22.9824; 7.6791; 6.6178 90; 90; 90 | 1167.94 | Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R. Transformations of two-dimensional layered zinc phosphates to three-dimensional and one-dimensional structures Journal of Materials Chemistry, 2002, 12, 1044 |
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 |
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 |
7208699 | CIF | C14 H8 Li2 O5 | P b c n | 8.4363; 5.3754; 25.8792 90; 90; 90 | 1173.58 | Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V. Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand CrystEngComm, 2012, 14, 6812 |
8102874 | CIF | C12 H8 Cl N3 O2 Pd | P b c n | 11.9623; 14.1791; 6.9203 90; 90; 90 | 1173.8 | Kwang Ha Crystal structure of (bis(2-pyridyl)imido)chloropalladium(II), PdCl(C12H8N3O2) Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 789 |
4500658 | CIF | C10 H11 Mn N3 O7 | P b c n | 10.531; 14.549; 7.681 90; 90; 90 | 1176.8 | Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid Crystal Growth & Design, 2011, 11, 1901 |
4119225 | CIF | C15 H12 O3 | P b c n | 13.8592; 11.2345; 7.5711 90; 90; 90 | 1178.83 | Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates Journal of the American Chemical Society, 2013, 135, 1228-1231 |
7127882 | CIF | C10 H18 B2 N2 | P b c n | 17.5863; 5.6213; 11.9738 90; 90; 90 | 1183.7 | Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds. Chemical communications (Cambridge, England), 2021, 57, 2645-2648 |
8106857 | CIF | C2 H12 Mg N8 O8 | P b c n | 9.856; 6.582; 18.276 90; 90; 90 | 1185.6 | Xiaojun, Wang; Jin, Shaohua; Li, Lijie; Chen, Shusen; Shu, Qinghai Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 305-306 |
2022252 | CIF HKL Paper | C5 H10 N10 O6 | P b c n | 7.7416; 8.9487; 17.168 90; 90; 90 | 1189.4 | Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate Acta Crystallographica Section C, 2020, 76, 965-971 |
2005549 | CIF Paper | C12 H14 O6 | P b c n | 16.68; 8.886; 8.054 90; 90; 90 | 1193.8 | Näther, C.; Bock, H.; Seitz, W.; Nagel, N. Diethyl 2,5-Dihydroxyterephthalate at 200K Acta Crystallographica Section C, 1996, 52, 2631-2633 |
7243031 | CIF | C11 H10 Cl Cu N2 S2 | P b c n | 3.8383; 22.1816; 14.0252 90; 90; 90 | 1194.1 | Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M. Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane CrystEngComm, 2021, 23, 4658-4666 |
2216309 | CIF HKL Paper | C4 H14 N4 O4 S3 | P b c n | 11.325; 8.3903; 12.6041 90; 90; 90 | 1197.6 | Harald Brand; Christopher Hubrich; Kurt Polborn; Axel Schulz; Alexander Villinger Redetermination of bis(<i>S</i>-methylthiuronium) sulfate Acta Crystallographica Section E, 2007, 63, o4733-o4733 |
7210088 | CIF | C12 H12 N4 O | P b c n | 10.353; 12.3146; 9.4233 90; 90; 90 | 1201.41 | Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G. Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water CrystEngComm, 2013, 15, 4261 |
4332620 | CIF | C12 H8 Br Cu N3 O2 | P b c n | 12.3074; 14.3586; 6.8007 90; 90; 90 | 1201.8 | Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism Inorganic Chemistry, 2006, 45, 7119-7125 |
7007543 | CIF | C8 H22 Al N3 | P b c n | 10.9945; 11.7842; 9.3014 90; 90; 90 | 1205.1 | Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L. Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand. Dalton transactions (Cambridge, England : 2003), 2006, 4491-4498 |
7706389 | CIF | C6 K3 N6 Rh | P b c n | 10.5092; 8.4568; 13.5808 90; 90; 90 | 1207 | Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>. Dalton transactions (Cambridge, England : 2003), 2021, 50, 1990-1994 |
7706419 | CIF | C6 K3 N6 Rh | P b c n | 10.5092; 8.4568; 13.5808 90; 90; 90 | 1207 | Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding. Dalton transactions (Cambridge, England : 2003), 2021, 50, 2510-2520 |
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 |
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 |
7706383 | CIF | C6 Ir K3 N6 | P b c n | 10.532; 8.4511; 13.5945 90; 90; 90 | 1210.01 | Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>. Dalton transactions (Cambridge, England : 2003), 2021, 50, 1990-1994 |
7706413 | CIF | C6 Ir K3 N6 | P b c n | 10.532; 8.4511; 13.5945 90; 90; 90 | 1210.01 | Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding. Dalton transactions (Cambridge, England : 2003), 2021, 50, 2510-2520 |
7203650 | CIF | C12 H14 Cl2 N2 | P b c n | 27.4793; 6.028; 7.319 90; 90; 90 | 1212.36 | Łukasz Dobrzycki; Krzysztof Woźniak On polymorphism and planarity of benzidine dihydrochloride CrystEngComm, 2006, 8, 780 |
7034488 | CIF | C16 H8 O8 Zn | P b c n | 15.147; 8.834; 9.062 90; 90; 90 | 1212.6 | Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7213-7222 |
7155630 | CIF | C16 H16 O2 | P b c n | 15.81826; 9.23296; 8.32936 90; 90; 90 | 1216.5 | Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides Org. Biomol. Chem., 2017 |
2218585 | CIF HKL Paper | C14 H16 N2 O2 | P b c n | 14.2157; 10.4608; 8.1817 90; 90; 90 | 1216.68 | Butt, M. Saeed; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M. 1,2-Bis(4-aminophenoxy)ethane Acta Crystallographica Section E, 2008, 64, o1122 |
7100049 | CIF | C8 H22 Ga N3 | P b c n | 11.01; 11.706; 9.4523 90; 90; 90 | 1218.2 | Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo Mono- and digallane complexes of a tridentate amido-diamine ligand Chemical Communications, 2005 |
7203651 | CIF | C12 H14 Cl2 N2 | P b c n | 27.459; 6.0877; 7.3074 90; 90; 90 | 1221.5 | Łukasz Dobrzycki; Krzysztof Woźniak On polymorphism and planarity of benzidine dihydrochloride CrystEngComm, 2006, 8, 780 |
2238038 | CIF HKL Paper | C16 H10 N2 O2 | P b c n | 14.429; 10.162; 8.3313 90; 90; 90 | 1221.6 | Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan 8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene Acta Crystallographica Section E, 2013, 69, o813-o814 |
4508646 | CIF | C14 H8 Ag2 O4 | P b c n | 6.4953; 20.559; 9.1747 90; 90; 90 | 1225.2 | Xu, Xinxin; Lu, Ying; Wang, Enbo; Ma, Ying; Bai, Xiuli Metal-Controlled Assembly of Coordination Polymers with the Flexible Ligand 1,1‘-Biphenyl-2,2‘-dicarboxylate Acid Crystal Growth & Design, 2006, 6, 2029 |
2211888 | CIF HKL Paper | C8 H14 Mn N2 O6 | P b c n | 15.324; 7.936; 10.079 90; 90; 90 | 1225.7 | Ya-Nan Chan; Hong-Kun Zhao; Xiu-Guang Wang; Xiao-Jun Zhao <i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide)manganese(II)]-di-μ~2~-oxalato] Acta Crystallographica Section E, 2007, 63, m70-m72 |
4322179 | CIF | C12 H10 S2 Te | P b c n | 15.598; 10.44; 7.533 90; 90; 90 | 1226.7 | Holger Fleischer; Sandra Stauf; Dieter Schollmeyer Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2 Inorganic Chemistry, 1999, 38, 3725-3729 |
7242137 | CIF | C6 H12 N10 O7 | P b c n | 13.067; 14.398; 6.5342 90; 90; 90 | 1229.3 | Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering CrystEngComm, 2021, 23, 1544-1549 |
2216924 | CIF HKL Paper | C8 H10 Cu2 O11 | P b c n | 9.2695; 14.3052; 9.2715 90; 90; 90 | 1229.4 | Guo, Ming-Lin Redetermination of poly[aquadi-μ~3~-oxydiacetato-dicopper(II)] Acta Crystallographica Section E, 2008, 64, m147-m147 |
4110147 | CIF | Cs F5 Na Nb O | P b c n | 8.3155; 13.3176; 11.1314 90; 90; 90 | 1232.72 | Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier Cation-Anion Interactions and Polar Structures in the Solid State Journal of the American Chemical Society, 2007, 129, 13963-13969 |
4503644 | CIF | C2 H2 Br Cd N3 O0 S | P b c n | 10.877; 7.937; 14.299 90; 90; 90 | 1234.4 | Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties Crystal Growth & Design, 2008, 8, 2562 |
2218623 | CIF HKL Paper | C14 H10 Br2 O | P b c n | 16.5965; 10.2476; 7.2626 90; 90; 90 | 1235.2 | Zhang, Hai-Quan; Bao-Li; Yang, Guang-Di; Ma, Yu-Guang 3,9-Dibromo-5,7-dihydrodibenzo[<i>c</i>,<i>e</i>]oxepine Acta Crystallographica Section E, 2008, 64, o1304 |
2200727 | CIF HKL Paper | C8 H8 | P b c n | 15.6757; 10.4805; 7.5277 90; 90; 90 | 1236.72 | Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi Styrene at 83K Acta Crystallographica Section E, 2001, 57, o1189-o1190 |
2205329 | CIF HKL Paper | C11 H10 N4 O S2 | P b c n | 7.8042; 7.3159; 21.753 90; 90; 90 | 1242 | Wu, Ben-Lai; Lou, Ben-Yong; Han, Lei; Hong, Mao-Chun 1,3-Bis(pyrimidin-2-ylsulfanyl)propan-2-one Acta Crystallographica Section E, 2005, 61, o594-o595 |
7214422 | CIF | C5 H13 N | P b c n | 33.546; 6.4878; 5.7295 90; 90; 90 | 1247 | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines CrystEngComm, 2014, 16, 3867 |
2004530 | CIF Paper | C12 H20 N2 O2 | P b c n | 11.1558; 11.574; 9.68 90; 90; 90 | 1249.9 | Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A. Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl) Acta Crystallographica Section C, 1996, 52, 474-477 |
7121598 | CIF | C2 H5 Co0.5 N3 O4 P | P b c n | 8.477; 9.531; 15.479 90; 90; 90 | 1250.6 | Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity. Chemical communications (Cambridge, England), 2018, 54, 6859-6862 |
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 |
4332621 | CIF | C12 H8 Cu I N3 O2 | P b c n | 12.473; 14.4913; 6.9476 90; 90; 90 | 1255.78 | Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism Inorganic Chemistry, 2006, 45, 7119-7125 |
2200630 | CIF HKL Paper | C8 H8 | P b c n | 15.6898; 10.5854; 7.5745 90; 90; 90 | 1257.99 | Bond, Andrew D.; Davies, John E. Styrene at 120K Acta Crystallographica Section E, 2001, 57, o1191-o1193 |
7205995 | CIF | C7 H4 Cl2 Cs2 N2 O5 | P b c n | 11.8722; 12.9955; 8.1575 90; 90; 90 | 1258.58 | Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water CrystEngComm, 2011, 13, 4211 |
4311827 | CIF | C12 Cu2 O7 P2 | P b c n | 8.1012; 5.31093; 29.2595 90; 90; 90 | 1258.89 | M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives Inorganic Chemistry, 2004, 43, 5283-5293 |
4118410 | CIF | C2 H5 N3 O4 P Zn0.5 | P b c n | 8.4676; 9.549; 15.57 90; 90; 90 | 1258.9 | Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa Inherent Proton Conduction in a 2D Coordination Framework Journal of the American Chemical Society, 2012, 134, 12780-12785 |
4130443 | CIF | C2 H5 N3 O4 P Zn0.5 | P b c n | 8.4676; 9.549; 15.57 90; 90; 90 | 1258.9 | Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application. Journal of the American Chemical Society, 2016, 138, 8505-8511 |
4130444 | CIF | C2 H5 N3 O4 P Zn0.5 | P b c n | 8.4676; 9.549; 15.57 90; 90; 90 | 1258.9 | Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application. Journal of the American Chemical Society, 2016, 138, 8505-8511 |
4002234 | CIF | Mo2 O14 P2 Te Tl2 | P b c n | 12.503; 8.912; 11.3 90; 90; 90 | 1259.12 | Guesdon, A.; Raveau, B. A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) Chemistry of Materials (1,1989-), 2000, 12, 2239-2243 |
2216915 | CIF HKL Paper | C8 H14 Cd N2 O6 | P b c n | 15.153; 8.006; 10.403 90; 90; 90 | 1262 | Borel, Cédric; Langer, Vratislav; Arnehed, Johan; Leikvoll, Lisette; Ghazzali, Mohamed <i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)cadmium(II)]-μ~2~-oxalato] Acta Crystallographica Section E, 2008, 64, m185-m185 |
7037686 | CIF | Cs Li5 Mn O14 P4 | P b c n | 5.1023; 19.717; 12.557 90; 90; 90 | 1263.3 | Gao, Jianhua; Sha, Xunshan; Song, Limei; Zhao, Pan; Liu, Xi The synthesis, structure and properties of a new lithium-rich manganese(ii) phosphate Li5CsMn(P2O7)2: a congruently melting compound with a 'lithium hamburger' structure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2584-2590 |
2200513 | CIF HKL Paper | C12 H8 Cu N4 O4 | P b c n | 9.773; 17.404; 7.44 90; 90; 90 | 1265.5 | Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry Second crystal form of dinitrito(1,10-phenanthroline)copper(II) Acta Crystallographica Section E, 2001, 57, m286-m287 |
7121596 | CIF | C2 H5 Fe0.5 N3 O4 P | P b c n | 8.603; 9.609; 15.328 90; 90; 90 | 1267.1 | Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity. Chemical communications (Cambridge, England), 2018, 54, 6859-6862 |
4002232 | CIF | Mo2 O14 P2 Rb2 Te | P b c n | 12.544; 8.934; 11.3222 90; 90; 90 | 1268.86 | Guesdon, A.; Raveau, B. A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) Chemistry of Materials (1,1989-), 2000, 12, 2239-2243 |
2001046 | CIF Paper | C6 H18 Br2 N2 O2 Zn | P b c n | 11.27; 11.053; 10.206 90; 90; 90 | 1271.3 | Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J. Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc Acta Crystallographica Section C, 1992, 48, 274-279 |
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 |
7217112 | CIF | C4 H10 N O3 | P b c n | 21.6397; 8.3029; 7.1004 90; 90; 90 | 1275.7 | Lunelli, Bruno; Soave, Raffaella; Destro, Riccardo Structure and stability of bis(dimethylamino)squaraine and its hydrates: A study using XRD, IR spectroscopy, and thermodynamic measurements Physical Chemistry Chemical Physics, 1999, 1, 1469 |
4021721 | CIF | C10 H22 N2 O2 Os | P b c n | 6.1505; 12.5027; 16.6071 90; 90; 90 | 1277.05 | Timothy J. Donohoe; Robert M. Harris; Sam Butterworth; Jeremy N. Burrows; Andrew Cowley; Jeremy S. Parker New Osmium-Based Reagent for the Dihydroxylation of Alkenes Journal of Organic Chemistry, 2006, 71, 4481-4489 |
2009056 | CIF Paper | C12 H12 O8 | P b c n | 9.929; 8.895; 14.482 90; 90; 90 | 1279 | Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R. A cyclic dimer of ethyleneglycol maleate Acta Crystallographica Section C, 1999, 55, IUC9900115 |
2220874 | CIF HKL Paper | C7 H6 Mg0.5 O3 | P b c n | 6.5913; 7.29; 26.759 90; 90; 90 | 1285.8 | Liu, Hsin-Kuan; Peng, Xiang-Wen; Lin, Chia-Her Poly[diaqua-μ~4~-biphenyl-4,4'-dicarboxylato-magnesium(II)] Acta Crystallographica Section E, 2009, 65, m237 |
7216347 | CIF | C14 H10 Ag O6 P | P b c n | 7.9663; 11.4723; 14.0805 90; 90; 90 | 1286.8 | Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio CrystEngComm, 2014, 16, 5627 |
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 |
2240889 | CIF HKL Paper | C4 H16 Br2 N2 O7 Sr | P b c n | 16.4198; 9.5438; 8.2402 90; 90; 90 | 1291.3 | Revathi, Palanisamy; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah Crystal structure of <i>catena</i>-poly[[[triaquastrontium]-di-μ~2~-glycinato] dibromide] Acta Crystallographica Section E, 2015, 71, 875-878 |
7109303 | CIF | C16 H13 N O2 | P b c n | 13.1134; 13.6354; 7.2439 90; 90; 90 | 1295.26 | Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto Asymmetric transformation by dynamic crystallization of achiral succinimides Chem.Commun., 2013, 49, 4776 |
7203378 | CIF | C6 H10 Cu K2 O11 | P b c n | 7.3985; 18.83; 9.3201 90; 90; 90 | 1298.4 | Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion CrystEngComm, 2006, 8, 507 |
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 |
4318445 | CIF | C8 H14 O4 S2 Te | P b c n | 5.2006; 8.471; 29.479 90; 90; 90 | 1298.7 | Holger Fleischer; Dieter Schollmeyer Conformation versus Coordination: Synthesis and Structural Investigations of Tellurium(II) Dithiolates Derived from β-Donor-Substituted Thiols Inorganic Chemistry, 2002, 41, 4739-4747 |
4003516 | CIF | H2 Lu N O7 Se | P b c n | 16.151; 11.854; 6.795 90; 90; 90 | 1300.9 | Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution Chemistry of Materials, 2020 |
2216100 | CIF HKL Paper | C4 H10 Cd I2 N2 S2 | P b c n | 10.369; 9.809; 12.792 90; 90; 90 | 1301.1 | Ilia A. Zamilatskov; Evgeny A. Buravlev; Elena V. Savinkina; Natalya S. Roukk; Dmitry V. Albov Diiodidobis(thioacetamide-κ<i>S</i>)cadmium(II) Acta Crystallographica Section E, 2007, 63, m2669-m2669 |
2001239 | CIF Paper | C14 H12 N2 O4 | P b c n | 15.885; 7.804; 10.504 90; 90; 90 | 1302.1 | Rice, C. R.; Robinson, K. J.; Wallis, J. D. Intramolecular interactions in dimethyl 2,2'-bipyridine-3,3'-dicarboxylate Acta Crystallographica Section C, 1993, 49, 1980-1982 |
4508670 | CIF | C6 H5 I | P b c n | 15.27; 11.071; 7.703 90; 90; 90 | 1302.2 | Merz, Klaus Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols Crystal Growth & Design, 2006, 6, 1615 |
7156283 | CIF | C10 H10 F2 N4 O8 | P b c n | 12.1505; 10.471; 10.2881 90; 90; 90 | 1308.9 | Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues. Organic & biomolecular chemistry, 2018, 16, 4784-4788 |
7040956 | CIF | C5 H14 N14 O2 | P b c n | 3.6071; 19.316; 18.825 90; 90; 90 | 1311.6 | Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17117-17122 |
7105487 | CIF | C12 H8 Br Cu2 N2 O4 | P b c n | 14.1012; 6.7152; 13.8579 90; 90; 90 | 1312.24 | Amo-Ochoa, Pilar; Welte, Lorena; González-Prieto, Rodrigo; Sanz Miguel, Pablo J.; Gómez-García, Carlos J.; Mateo-Martí, Eva; Delgado, Salome; Gómez-Herrero, Julio; Zamora, Félix Single layers of a multifunctional laminar Cu(i,ii) coordination polymer Chemical Communications, 2010, 46, 3262-3264 |
4073833 | CIF | C13 H8 Cu2 N2 O5 | P b c n | 13.728; 7.05; 13.559 90; 90; 90 | 1312.3 | Liang, Fu-Pei; Qin, Su-Ni; Jiang, Chun-Fang; Zhang, Zhong; Chen, Zi-Lu Organic-Ligand-Supported Two-Dimensional Carbonyl-Bridged Copper(I) Polymers Organometallics, 2007, 26, 4839 |
7121597 | CIF | C2 H5 Mn0.5 N3 O4 P | P b c n | 8.708; 9.681; 15.573 90; 90; 90 | 1312.8 | Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity. Chemical communications (Cambridge, England), 2018, 54, 6859-6862 |
2013720 | CIF HKL Paper | C4 H12 B2 F2 Ge3 N2 O9 | P b c n | 6.9776; 11.779; 15.997 90; 90; 90 | 1314.8 | Li, Yang-feng; Zou, Xiaodong (C~4~N~2~H~12~)[(GeO~2~)~3~(BO~1.5~F)~2~], a layered borogermanate containing three- and nine-membered rings Acta Crystallographica Section C, 2003, 59, m471-m472 |
2105975 | CIF HKL | C5 H6 N2 O4 | P b c n | 10.4325; 6.7755; 18.6056 90; 90; 90 | 1315.1 | Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds Acta Crystallographica Section B, 2014, 70, 942-947 |
7050742 | CIF | C16 H14 N4 | P b c n | 19.917; 7.627; 8.677 90; 90; 90 | 1318.1 | Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz Supramolecular structures formed by 2-aminopyridine derivatives. New Journal of Chemistry, 2002, 26, 448 |
7155507 | CIF | C17 H12 N2 O3 | P b c n | 25.356; 6.9395; 7.4967 90; 90; 90 | 1319.1 | Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis. Organic & biomolecular chemistry, 2017, 15, 2784-2790 |
4311828 | CIF | C12 H12 O7 P2 | P b c n | 7.822; 5.821; 28.982 90; 90; 90 | 1319.6 | M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives Inorganic Chemistry, 2004, 43, 5283-5293 |
4503645 | CIF | C2 H2 Cd I N3 S | P b c n | 11.056; 8.26; 14.512 90; 90; 90 | 1325.3 | Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties Crystal Growth & Design, 2008, 8, 2562 |
7711814 | CIF | C6 F10 K2 Mn O6 | P b c n | 12.4013; 14.448; 7.3981 90; 90; 90 | 1325.55 | Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A. Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2 Dalton Transactions, 2022 |
7203407 | CIF | C9 H16 Cu N2 O8 | P b c n | 8.268; 16.9351; 9.4736 90; 90; 90 | 1326.49 | Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives CrystEngComm, 2006, 8, 530 |
4503225 | CIF | C10 H10 Cu N6 O6 | P b c n | 14.744; 8.951; 10.0648 90; 90; 90 | 1328.29 | Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J. New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites Crystal Growth & Design, 2008, 8, 643 |
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 |
2207949 | CIF HKL Paper | C12 H6 Br4 | P b c n | 10.615; 9.8137; 12.768 90; 90; 90 | 1330.1 | Estrada, Jesús; Aguirre, Gerardo; Somanathan, Ratnasamy; Bernès, Sylvain 2,2',6,6'-Tetrabromobiphenyl Acta Crystallographica Section E, 2006, 62, o388-o389 |
4503667 | CIF | C13 H13 N3 S | P b c n | 11.3094; 14.0244; 8.393 90; 90; 90 | 1331.19 | Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W. Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas Crystal Growth & Design, 2008, 8, 3335 |
4307592 | CIF | I4 O15 U | P b c n | 8.3347; 7.6594; 20.8988 90; 90; 90 | 1334.15 | Jie Ling; Thomas E. Albrecht-Schmitt Intercalation of Iodic Acid into the Layered Uranyl Iodate, UO2(IO3)2(H2O) Inorganic Chemistry, 2007, 46, 346-347 |
8105237 | CIF | C6 H12 N10 O6 Zn | P b c n | 19.6175; 7.2887; 9.3499 90; 90; 90 | 1336.91 | Wang, Hui; Xiao, Zi-Jing The crystal structure of bis(N-oxy-2-(1H-tetrazol-1-yl) acetamide κ2 O,O′)-diaqua-zinc(II), C6H12ZnN10O6 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 617-619 |
4309694 | CIF | C14 H7 Gd N2 O8 | P b c n | 9.932; 8.6161; 15.717 90; 90; 90 | 1345 | Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies Inorganic Chemistry, 2005, 44, 7122-7129 |
7213490 | CIF | C11 H21 B F4 N2 | P b c n | 18.086; 9.7339; 7.6426 90; 90; 90 | 1345.46 | Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J. Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes Journal of the Chemical Society, Perkin Transactions 1, 2001, 1586 |
4309692 | CIF | C14 H7 N2 O8 Sm | P b c n | 9.939; 8.6219; 15.731 90; 90; 90 | 1348 | Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies Inorganic Chemistry, 2005, 44, 7122-7129 |
7034486 | CIF | C16 H8 Ni O8 | P b c n | 15.68; 9.149; 9.415 90; 90; 90 | 1350.6 | Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7213-7222 |
4002235 | CIF | Cs2 Mo2 O14 P2 Te | P b c n | 12.367; 9.4907; 11.515 90; 90; 90 | 1351.53 | Guesdon, A.; Raveau, B. A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) D Chemistry of Materials (1,1989-), 2000, 12, 2239-2243 |
7155403 | CIF | C16 H10 Cl2 N2 O2 | P b c n | 13.5987; 7.2344; 13.7418 90; 90; 90 | 1351.9 | Pereira, Raul; Pfeifer, Lukas; Fournier, Jean; Gouverneur, Véronique; Cvengroš, Ján Twisting the ethano-Tröger's base: the bisamide. Organic & biomolecular chemistry, 2017, 15, 628-633 |
7018251 | CIF | C10 H22 N2 Ni S2 | P b c n | 9.487; 7.862; 18.145 90; 90; 90 | 1353.4 | Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes. Dalton transactions (Cambridge, England : 2003), 2012, 41, 2720-2731 |
7205394 | CIF | C16 H6 Co O8 | P b c n | 15.678; 9.197; 9.414 90; 90; 90 | 1357.4 | Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids CrystEngComm, 2011, 13, 1617 |
7042967 | CIF | C6 H12 N12 O6 | P b c n | 15.095; 6.7677; 13.289 90; 90; 90 | 1357.6 | Ma, Qing; Chen, Ya; Liao, Longyu; Lu, Huanchang; Fan, Guijuan; Huang, Jinglun Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation Dalton Trans., 2017 |
7240165 | CIF | C6 H11 Cl4 Fe N2 | P b c n | 10.4559; 9.2217; 14.0803 90; 90; 90 | 1357.64 | González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4] RSC Advances, 2020, 10, 11200-11209 |
4309693 | CIF | C14 H7 Eu N2 O8 | P b c n | 9.969; 8.6644; 15.736 90; 90; 90 | 1359.2 | Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su A Series of Three-Dimensional Lanthanide Coordination Polymers with Rutile and Unprecedented Rutile-Related Topologies Inorganic Chemistry, 2005, 44, 7122-7129 |
7012947 | CIF | C8 H16 Br3 Ga O2 | P b c n | 10.5892; 10.1503; 12.6862 90; 90; 90 | 1363.56 | Nogai, Stefan D.; Schmidbaur, Hubert Preparation and structure of soluble complexes of the ternary compounds GaSBr and GaSeBr Dalton Transactions, 2003, 2488 |
7205114 | CIF | C16 H8 Co O8 | P b c n | 15.745; 9.1922; 9.4397 90; 90; 90 | 1366.2 | Su, Yan-Hua; Luo, Feng; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min Rod-packing motif: a new metal‒organic polymer showing unusual rod-packing architecture CrystEngComm, 2011, 13, 44 |
1564200 | CIF | C19 H11 F N2 | P b c n | 7.191; 13.105; 14.5221 90; 90; 90 | 1368.5 | Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding The Journal of Physical Chemistry C, 2021 |
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 |
7003667 | CIF | C8 H22 Ga2 N2 O2 | P b c n | 11.183; 7.516; 16.303 90; 90; 90 | 1370.3 | Bösing, Patrick; Willner, Alexander; Pape, Tania; Hepp, Alexander; Mitzel, Norbert W. Structural diversity in bishydroxylamine complexes of gallium Dalton Transactions, 2008, 2549-2556 |
7034487 | CIF | C16 H8 Cu O8 | P b c n | 16.16; 9.455; 8.984 90; 90; 90 | 1372.7 | Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7213-7222 |
4127016 | CIF | C4 H13 Ag2 B10 N S2 | P b c n | 6.7331; 26.9421; 7.5727 90; 90; 90 | 1373.72 | Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W. Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters. Journal of the American Chemical Society, 2018 |
2240607 | CIF HKL Paper | C10 H18 Ca O8 | P b c n | 17.644; 9.9627; 7.816 90; 90; 90 | 1373.9 | Amarasekara, Ananda S.; Sterling-Wells, Dominique T.; Ordonez, Carlos; Ohoueu, Marie-Josiane; Fonari, Marina S. Crystal structure of a polymeric calcium levulinate dihydrate: <i>catena</i>-poly[[diaquacalcium]-bis(μ~2~-4-oxobutanoato)] Acta Crystallographica Section E, 2015, 71, 494-497 |
7211119 | CIF | C14 H11 Cs O4 | P b c n | 28.3393; 7.0215; 6.9066 90; 90; 90 | 1374.31 | Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V. A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates CrystEngComm, 2013, 15, 8823 |
7003494 | CIF | C15 H18 N2 O3 | P b c n | 10.78; 14.567; 8.764 90; 90; 90 | 1376.2 | Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction Dalton Transactions, 2008, 2171-2182 |
2001044 | CIF Paper | C6 H18 Co I2 N2 O2 | P b c n | 11.742; 11.291; 10.404 90; 90; 90 | 1379.4 | Jin, S.; Nieuwenhuyzen, M.; Robinson, W. T.; Wilkins, C. J. Structures of dichlorobis(trimethylamine oxide)cobalt(II), diiodobis(trimethylamine oxide)cobalt(II), dichlorobis(trimethylamine oxide)zinc and dibromobis(trimethylamine oxide)zinc Acta Crystallographica Section C, 1992, 48, 274-279 |
7714045 | CIF | C5 H6 Bi I4 N2 | P b c n | 12.2049; 14.8651; 7.6069 90; 90; 90 | 1380.1 | Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes Dalton Transactions, 2023 |
4350158 | CIF | C15 H11 Cu I N3 | P b c n | 9.04; 14.87; 10.27 90; 90; 90 | 1380.5 | Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands. Inorganic chemistry, 2006, 45, 6179-6187 |
7237619 | CIF | C14 H7 N2 Nd O8 | P b c n | 9.973; 8.757; 15.809 90; 90; 90 | 1380.7 | Zeng, Min; Zhan, Chuanlang; Yao, Jiannian Novel bimetallic lanthanide metal‒organic frameworks (Ln-MOFs) for colour-tuning through energy-transfer between visible and near-infrared emitting Ln3+ ions Journal of Materials Chemistry C, 2019, 7, 2751 |
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 |
4034805 | CIF | C17 H14 N2 O | P b c n | 23.7477; 7.4516; 7.8082 90; 90; 90 | 1381.73 | Espinoza-Hicks, Carlos; Montoya, Pablo; Bautista, Rafael; Jiménez-Vázquez, Hugo A; Rodríguez-Valdez, Luz M; Camacho-Dávila, Alejandro A; Cossío, Fernando P; Delgado, Francisco; Tamariz, Joaquín Synthesis of exo-Imidazolidin-2-one Dienes, Their Isomerization, and Selectivity in Diels-Alder Cycloadditions. The Journal of organic chemistry, 2018, 83, 5347-5364 |
4022150 | CIF | C18 H24 | P b c n | 11.155; 7.505; 16.57 90; 90; 90 | 1387 | Sergiy V. Rosokha; Jay K. Kochi The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons Journal of Organic Chemistry, 2006, 71, 9357-9365 |
7221593 | CIF | C15 H12 N2 O2 S | P b c n | 11.9816; 13.5266; 8.5608 90; 90; 90 | 1387.45 | Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea CrystEngComm, 2015, 17, 6274 |
8103938 | CIF | B3 H3 Li O9 P | P b c n | 11.484; 8.719; 13.871 90; 90; 90 | 1388.89 | Hauf, C.; Kniep, R. Crystal Structure of lithium catena-(monoboro-mono-dihydrogendiboratemonohydrogenphosph te), Li (B3 P O6 (O H)3) Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 313-314 |
7034485 | CIF | C16 H8 Fe O8 | P b c n | 15.772; 9.171; 9.605 90; 90; 90 | 1389.3 | Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7213-7222 |
7205395 | CIF | C16 H8 Mn O8 | P b c n | 15.764; 9.1079; 9.7436 90; 90; 90 | 1399 | Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids CrystEngComm, 2011, 13, 1617 |
4309517 | CIF | Cu3 K3 S7 Th2 | P b c n | 4.051; 14.023; 24.633 90; 90; 90 | 1399.3 | Hugh D. Selby; Benny C. Chan; Ryan F. Hess; Kent D. Abney; Peter K. Dorhout Three New Phases in the K/Cu/Th /S System: KCuThS~3~, K~2~Cu~2~ThS~4~, and K~3~Cu~3~Th~2~S~7~ Inorganic Chemistry, 2005, 44, 6463-6469 |
7154509 | CIF | C17 H11 Cl2 N | P b c n | 21.3422; 8.1975; 8.0145 90; 90; 90 | 1402.16 | Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine. Organic & biomolecular chemistry, 2015, 13, 6832-6838 |
4071136 | CIF | C14 H20 Mo S2 | P b c n | 13.271; 6.9263; 15.256 90; 90; 90 | 1402.3 | Kuo, Louis Y.; Adint, Tyler T.; Akagi, Allison E.; Zakharov, Lev Degradation of a VX Analogue: First Organometallic Reagent To Promote Phosphonothioate Hydrolysis Through Selective P−S Bond Scission Organometallics, 2008, 27, 2560 |
4330376 | CIF | C11 H16 Au Cl N2 O4 | P b c n | 19.339; 9.6895; 7.4978 90; 90; 90 | 1405 | Maura Pellei; Valentina Gandin; Marika Marinelli; Cristina Marzano; Muhammed Yousufuddin; H. V. Rasika Dias; Carlo Santini Synthesis and Biological Activity of Ester- and Amide-Functionalized Imidazolium Salts and Related Water-Soluble Coinage Metal N-Heterocyclic Carbene Complexes Inorganic Chemistry, 2012, 51, 9873-9882 |
7218964 | CIF | C12 H9 Er N2 O8 | P b c n | 8.4022; 20.939; 7.9883 90; 90; 90 | 1405.4 | Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties RSC Adv., 2014 |
7015535 | CIF | C7 H9 Cu N9 O7 | P b c n | 15.5617; 11.3047; 7.9984 90; 90; 90 | 1407.08 | Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition. Dalton transactions (Cambridge, England : 2003), 2011, 40, 3655-3665 |
8100177 | CIF | C8 H16 Au Cl N4 S2 | P b c n | 11.9055; 11.7507; 10.0615 90; 90; 90 | 1407.6 | Fettouhi, Mohammed; Isab, Anvarhusein A.; Wazeer, Mohamed I. M. Crystal structure of bis(3,4,5,6-tetrahydropyrimidine-2(1H)-thione- S)gold(I) chloride, [Au(C~4~H~8~N~2~S)~2~]Cl Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 391-392 |
2017894 | CIF HKL Paper | C16 H18 O6 | P b c n | 12.4911; 8.51; 13.2883 90; 90; 90 | 1412.54 | Langer, Vratislav; Lundquist, Knut 5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons Acta Crystallographica Section C, 2010, 66, o606-o608 |
7010068 | CIF | C3 H8 Ca0.5 Ni0.5 O7 | P b c n | 8.921; 11.935; 13.274 90; 90; 90 | 1413.3 | de Muro, Izaskun Gil; Insausti, Maite; Lezama, Luis; Urtiaga, M. Karmele; Arriortua, M. Isabel; Rojo, Teófilo Study of the [CaM(C3H2O4)2(H2O)4]·nH2O [M = Mn, Fe or Co (n = 0) and Ni (n = 2)] systems: synthesis, structure, spectroscopic and magnetic properties Journal of the Chemical Society, Dalton Transactions, 2000, 3360 |
2213517 | CIF HKL Paper | C16 H20 N2 O2 | P b c n | 10.675; 8.8373; 14.995 90; 90; 90 | 1414.6 | Su, Qing; Wu, Qiao-Lin; Li, Guang-Hua; Gao, Wei; Mu, Ying 4,4'-(<i>p</i>-Phenylenediimino)dipent-3-en-2-one Acta Crystallographica Section E, 2007, 63, o2052-o2053 |
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 |
7218962 | CIF | C12 H9 Dy N2 O8 | P b c n | 8.439; 20.933; 8.016 90; 90; 90 | 1416.1 | Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties RSC Adv., 2014 |
7231086 | CIF | C20 H14 N2 | P b c n | 19.954; 9.7592; 7.2875 90; 90; 90 | 1419.1 | Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors CrystEngComm, 2018, 20, 4463 |
2235189 | CIF HKL Paper | C18 H14 N4 O | P b c n | 15.9777; 11.4504; 7.7573 90; 90; 90 | 1419.21 | Campos-Gaxiola, José J.; Höpfl, Herbert; Aguirre, Gerardo; Parra-Hake, Miguel 2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole Acta Crystallographica Section E, 2012, 68, o1873 |
4318446 | CIF | C8 H14 O2 S4 Te | P b c n | 5.147; 8.6904; 31.795 90; 90; 90 | 1422.17 | Holger Fleischer; Dieter Schollmeyer Conformation versus Coordination: Synthesis and Structural Investigations of Tellurium(II) Dithiolates Derived from β-Donor-Substituted Thiols Inorganic Chemistry, 2002, 41, 4739-4747 |
7218963 | CIF | C12 H9 Ho N2 O8 | P b c n | 8.446; 21.009; 8.016 90; 90; 90 | 1422.4 | Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties RSC Adv., 2014 |
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 |
4022452 | CIF | C9 H8 N6 S5 | P b c n | 6.2662; 13.0714; 17.4538 90; 90; 90 | 1429.61 | Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems Journal of Organic Chemistry, 2003, 68, 4791-4796 |
7218961 | CIF | C12 H9 N2 O8 Tb | P b c n | 8.4886; 20.972; 8.0409 90; 90; 90 | 1431.5 | Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties RSC Adv., 2014 |
2009744 | CIF Paper | C8 H16 Cl3 In O2 | P b c n | 10.805; 10.114; 13.11 90; 90; 90 | 1432.7 | Whittlesey, B. R.; Ittycheriah, I. P. Trichlorobis(tetrahydrofuran)indium(III) Acta Crystallographica Section C, 1994, 50, 693-695 |
4308126 | CIF | Ca2 H18 O17 U | P b c n | 9.576; 12.172; 12.314 90; 90; 90 | 1435.3 | Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes Inorganic Chemistry, 2007, 46, 3657-3662 |
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 |
4127774 | CIF | C8 H12 N4 O12 | P b c n | 7.9408; 16.135; 11.2323 90; 90; 90 | 1439.14 | Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S. Impact of Stereo- and Regiochemistry on Energetic Materials. Journal of the American Chemical Society, 2019, 141, 12531-12535 |
4501761 | CIF | C16 H8 Cd O8 | P b c n | 15.9934; 9.1122; 9.9053 90; 90; 90 | 1443.55 | Wen, Li-Li; Wang, Feng; Leng, Xiao-Ke; Wang, Cheng-Gang; Wang, Lian-Yi; Gong, Jing-Ming; Li, Dong-Feng Efficient Detection of Organophosphate Pesticide Based on a Metal−Organic Framework Derived from Biphenyltetracarboxylic Acid Crystal Growth & Design, 2010, 10, 2835 |
1566958 | CIF | C5 H11 B O3 | P b c n | 14.303; 13.119; 7.702 90; 90; 90 | 1445.2 | Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation The Journal of Physical Chemistry B, 2014, 118, 6032-6037 |
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 |
4111086 | CIF | C8 H22 Se Si3 | P b c n | 12.2465; 12.1821; 9.7334 90; 90; 90 | 1452.11 | Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications Journal of the American Chemical Society, 2006, 128, 14949-14961 |
2008266 | CIF Paper | C14 H15 N3 O4 | P b c n | 4.5686; 15.7687; 20.1621 90; 90; 90 | 1452.5 | Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam 2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal Acta Crystallographica Section C, 1999, 55, 399-401 |
2106924 | CIF | K2 O16 S5 | P b c n | 9.19; 10.891; 14.522 90; 90; 90 | 1453.48 | de Vries, R.; Mijlhoff, F.C. The Crystal Structure of Potassium Pentasulphate K2 S5 O16 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1696-1699 |
4111092 | CIF | C8 H22 S Si3 | P b c n | 12.2325; 12.3562; 9.6165 90; 90; 90 | 1453.5 | Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications Journal of the American Chemical Society, 2006, 128, 14949-14961 |
2231618 | CIF HKL Paper | C14 H12 F8 N2 | P b c n | 8.678; 9.818; 17.088 90; 90; 90 | 1455.9 | Wang, Jin; Zhong, Jun-Wen; Liu, Pei-Lian; Cao, Wan-Wan; Zeng, Zhuo 3,3,4,4-Tetrafluoro-1-[2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]pyrrolidine Acta Crystallographica Section E, 2011, 67, o2399 |
4312212 | CIF | C4 H16 Br4 N2 O2 Pb | P b c n | 8.4625; 8.647; 19.918 90; 90; 90 | 1457.5 | Nicolas Mercier; Sylvain Poiroux; Amédée Riou; Patrick Batail Unique Hydrogen Bonding Correlating with a Reduced Band Gap and Phase Transition in the Hybrid Perovskites (HO(CH2)2NH3)2PbX4 (X = I, Br) Inorganic Chemistry, 2004, 43, 8361-8366 |
7123173 | CIF | C9 H6 Cl3 Cu3 N6 | P b c n | 16.3157; 11.6083; 7.697 90; 90; 90 | 1457.79 | Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit Chemical Communications, 2019 |
2000771 | CIF Paper | C18 H15 F2 P | P b c n | 6.105; 16.634; 14.356 90; 90; 90 | 1457.9 | Doxsee, K. M.; Hanawalt, E. M.; Weakley, T. J. R. Structure of difluorotriphenylphosphorane Acta Crystallographica Section C, 1992, 48, 1288-1290 |
7205366 | CIF | C3 H4 Cd Cl N3 S | P b c n | 10.813; 7.6106; 17.77 90; 90; 90 | 1462.4 | Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand CrystEngComm, 2011, 13, 1697 |
7043794 | CIF | C12 H13 Cu F6 N2 O2 P | P b c n | 8.6711; 19.337; 8.7396 90; 90; 90 | 1465.4 | Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding. Dalton transactions (Cambridge, England : 2003), 2017 |
7202646 | CIF | C14 H11 F5 I N | P b c n | 7.5677; 16.7343; 11.6003 90; 90; 90 | 1469.06 | Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions CrystEngComm, 2007, 9, 203 |
4120294 | CIF | C2 H2 Cl2 N4 O4 | P b c n | 9.7378; 10.5173; 14.3679 90; 90; 90 | 1471.5 | Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers Journal of the American Chemical Society, 2013, 135, 11787-11790 |
7223987 | CIF | C10 Br8 | P b c n | 11.3832; 7.8114; 16.5506 90; 90; 90 | 1471.66 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
7204931 | CIF | Ge2 H4 Na2 O8 Zn | P b c n | 13.036; 8.7286; 12.938 90; 90; 90 | 1472.2 | Reisner, Barbara A.; Tripathi, Akhilesh; Parise, John B. Na8[Zn4Ge8O18(OH)12]·2H2O: An interrupted-framework zincogermanate built from [GeO3(OH)] and [Ge2(OH)2] units Journal of Materials Chemistry, 2001, 11, 887 |
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 |
2006679 | CIF Paper | C6 H16 Au Cl N4 O4 S2 | P b c n | 13.8946; 16.513; 6.4276 90; 90; 90 | 1474.76 | Richard J. Staples; John P. Fackler Jr; Juan Costamagna Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate Acta Crystallographica Section C, 1997, 53, 1555-1558 |
7043791 | CIF | C12 H13 Cu F6 N2 O2 P | P b c n | 8.7142; 19.3795; 8.7366 90; 90; 90 | 1475.41 | Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding. Dalton transactions (Cambridge, England : 2003), 2017 |
2221358 | CIF HKL Paper | Cu2 Ge4 H8 Na4 O16 | P b c n | 13.041; 8.744; 12.975 90; 90; 90 | 1479.5 | Li, Ya-Feng; Li, Dan-Ping; Shi, Cui-Li; Hu, Yong-Sheng; Jin, Li Tetrasodium (dihydrogenheptaoxidodigermanato)bis(dihydrogentetraoxidogermanato)dicopper(II) monohydrate Acta Crystallographica Section E, 2009, 65, i27 |
7043793 | CIF | C12 H13 Cu F6 N2 O2 P | P b c n | 8.7671; 19.4257; 8.733 90; 90; 90 | 1487.29 | Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding. Dalton transactions (Cambridge, England : 2003), 2017 |
2239619 | CIF HKL Paper | C17 H16 O S2 | P b c n | 16.383; 11.6119; 7.8213 90; 90; 90 | 1487.9 | Nithya, C.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra (2<i>E</i>,7<i>E</i>)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone Acta Crystallographica Section E, 2014, 70, o722 |
2208220 | CIF HKL Paper | C18 H13 Ag N2 O2 | P b c n | 11.434; 14.817; 8.7828 90; 90; 90 | 1488 | Hua Wu; Xian-Wu Dong; Hai-Yan Liu; Jian-Fang Ma (Quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I) Acta Crystallographica Section E, 2006, 62, m281-m282 |
2011806 | CIF HKL Paper | C16 H15 Na O6 | P b c n | 21.484; 9.4624; 7.3293 90; 90; 90 | 1490 | Evans, James; Kapitan, Anoop; Rosair, Georgina; Roberts, Kevin J; White, Graeme Sodium hydrogen bis(phenoxyacetate) Acta Crystallographica Section C, 2001, 57, 250-251 |
2219978 | CIF HKL Paper | C12 H16 Br2 N2 Pt | P b c n | 13.297; 8.2906; 13.516 90; 90; 90 | 1490 | Kelly, Mairéad E.; Wagner, Christoph; Schmidt, Harry Dibromidodimethyldipyridineplatinum(IV) Acta Crystallographica Section E, 2008, 64, m1385 |
5000287 | CIF | C10 H6 Br4 Cl2 N2 | P b c n | 12.438; 8.753; 13.696 90; 90; 90 | 1491.08 | Gribble, G. W.; Blank, D. H.; Jasinski, J. P. Synthesis and identification of two halogenated bipyrroles present in seabird eggs Chemical Communications, 1999, 2195-2196 |
7123174 | CIF | C9 H6 Cl3 Cu3 N6 | P b c n | 16.3471; 11.639; 7.8446 90; 90; 90 | 1492.5 | Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit Chemical Communications, 2019 |
2008737 | CIF Paper | C8 H12 Cl Cu N8 O2 S2 | P b c n | 12.8678; 11.4996; 10.0894 90; 90; 90 | 1492.97 | Razak, Ibrahim Abdul; Chinnakali, Kandasamy; Fun, Hoong-Kun; Yang, Ping; Zeng, Wen-Ru; Xie, Fu-Xin; Tian, Yu-Peng; Zhang, Hao A copper(I) complex of 4-amino-3-thioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one Acta Crystallographica Section C, 1999, 55, 1092-1093 |
7223137 | CIF | C6 H20 N2 O6 S2 Zn | P b c n | 22.1708; 8.7244; 7.7214 90; 90; 90 | 1493.53 | Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath Organically Templated Linear Metal Sulfites RSC Adv., 2015 |
7714205 | CIF | C8 H22 Co F6 N4 O2 P | P b c n | 10.0855; 18.6517; 7.944 90; 90; 90 | 1494.36 | Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M. Synthesis of Nitrogen Mustards on Cobalt(III) Dalton Transactions, 2023 |
7050660 | CIF | C9 H8 N2 | P b c n | 17.2047; 11.8608; 7.3253 90; 90; 90 | 1494.81 | Reger, Daniel L.; Gardinier, James R.; Christian Grattan, T.; Smith, Monica R.; Smith, Mark D. Synthesis of the silver(i) complex of CH2[CH(pz4Et)2]2 containing the unprecedented [Ag(NO3)4]3? anion: A general method for the preparation of 4-(alkyl)pyrazolesElectronic supplementary information (ESI) available: Crystal packing diagram of the unit cell of [Ag2{�-CH2[CH(pz4Et)2]2}2]3[Ag(NO3)4]2(acetonex/Et2Oy). See http://www.rsc.org/suppdata/nj/b3/b307306h/ New Journal of Chemistry, 2003, 27, 1670 |
2101136 | CIF Paper | C15 H19 N3 S | P b c n | 8.033; 22.77; 8.193 90; 90; 90 | 1498.6 | Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I. Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K Acta Crystallographica Section B, 1994, 50, 358-363 |
7043790 | CIF | C12 H13 Cu F6 N2 O2 P | P b c n | 8.8221; 19.4655; 8.7295 90; 90; 90 | 1499.09 | Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding. Dalton transactions (Cambridge, England : 2003), 2017 |
2105980 | CIF HKL Paper | C6 H20 Ca Cl2 N2 O7 | P b c n | 23.347; 8.702; 7.391 90; 90; 90 | 1501.6 | Lamberts, Kevin; Möller, Andreas; Englert, Ulli Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers Acta Crystallographica Section B, 2014, 70, 989-998 |
7031675 | CIF | C2 H4 N4 O4 Pb S | P b c n | 17.9942; 6.3605; 13.1333 90; 90; 90 | 1503.13 | Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003), 2015, 44, 924-937 |
2243449 | CIF HKL Paper | C15 H8 N2 S5 | P b c n | 3.9458; 11.434; 33.366 90; 90; 90 | 1505.3 | Kafuta, Kevin; Golz, Christopher; Alcarazo, Manuel Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate Acta Crystallographica Section E, 2020, 76, 1126-1130 |
2204117 | CIF HKL Paper | C4 H12 O4 P2 Pb S4 | P b c n | 17.738; 9.218; 9.216 90; 90; 90 | 1506.9 | Tetsuzo Ito; Yoshinori Maeda Linear-chain bis(μ-<i>O,O</i>'-dimethyl dithiophosphato)lead(II) Acta Crystallographica Section E, 2004, 60, m1349-m1350 |
2100837 | CIF Paper | C20 H16 N2 O2 | P b c n | 11.666; 12.003; 10.779 90; 90; 90 | 1509.4 | Mizuguchi, J.; Grubenmann, A.; Wooden, G.; Rihs, G. Structures of 3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione Acta Crystallographica Section B, 1992, 48, 696-700 |
7205365 | CIF | C3 H4 Br Cd N3 S | P b c n | 10.8254; 7.8337; 17.8083 90; 90; 90 | 1510.2 | Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand CrystEngComm, 2011, 13, 1697 |
3000477 | On hold until 2024-06-19 | C6 Al Li3 O16 | P b c n | 17.65084; 11.22737; 7.62231 90; 90; 90 | 1510.53 | Alexander Missyul ? To be published in Solids |
1566989 | CIF | C15.23 H28.13 Cu1.07 N4.3 | P b c n | 11.819; 12.632; 10.1183 90; 90; 90 | 1510.6 | Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022 |
7054697 | CIF | C10 H16 N6 Ni O2 Zn | P b c n | 11.463; 8.9492; 14.7436 90; 90; 90 | 1512.5 | Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations New J. Chem., 2015, 39, 3675 |
7043792 | CIF | C12 H13 Cu F6 N2 O2 P | P b c n | 8.8886; 19.5247; 8.7308 90; 90; 90 | 1515.21 | Hamaguchi, Tomohiko; Nagata, Tomoko; Hayami, Shinya; Kawata, Satoshi; Ando, Isao pH-Dependent structural diversity of a 2-pyridinemethanol Cu complex and its relatively strong magnetic exchange coupling via hydrogen bonding. Dalton transactions (Cambridge, England : 2003), 2017 |
2021192 | CIF HKL | C12 H18 N2 O7 | P b c n | 7.5583; 12.7016; 15.7903 90; 90; 90 | 1515.9 | Mao, Yimin; Zavalij, Peter Y. Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide Acta Crystallographica Section C, 2018, 74, 986-990 |
4349842 | CIF | C8.036 H6 Cu0.5 N2.927 O | P b c n | 4.83448; 14.1398; 22.1826 90; 90; 90 | 1516.37 | Li, Shixiong; Wei, Chaohai; Hu, Yun; Wu, Haizhen; Li, Fusheng In situ synthesis and photocatalytic mechanism of a cyano bridged Cu(i) polymer Inorganic Chemistry Frontiers, 2018, 5, 1282 |
7204586 | CIF | C20 H14 N4 | P b c n | 17.712; 8.7976; 9.7375 90; 90; 90 | 1517.3 | Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/ Green Chemistry, 2003, 5, 187 |
8101324 | CIF | C18 H12 S3 | P b c n | 16.0515; 11.5227; 8.2362 90; 90; 90 | 1523.3 | Choi, Moon-Gun; Chang, Hong-Young; Guzei, Ilia A. Crystal structure of 1,3,5-tris(thien-2-yl)benzene, C~18~H~12~S~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 491-492 |
7111370 | CIF | C18 H18 N2 O3 | P b c n | 5.4523; 7.9556; 35.1453 90; 90; 90 | 1524.47 | Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K. Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series Chemical Communications, 2004, 2528-2529 |
7004884 | CIF | C12 H8 Mn N10 | P b c n | 13.6213; 7.5799; 14.7671 90; 90; 90 | 1524.7 | Manson, Jamie L.; Schlueter, John A.; Nygren, Cara L. Mn(dca)2(pym)2 and Mn(dca)2(pym)(H2O) {dca = dicyanamide; pym = pyrimidine}: New coordination polymers exhibiting 1- and 2-D topologies. Dalton transactions (Cambridge, England : 2003), 2007, 646-652 |
2101137 | CIF Paper | C15 H19 N3 S | P b c n | 8.0608; 22.941; 8.266 90; 90; 90 | 1528.6 | Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I. Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K Acta Crystallographica Section B, 1994, 50, 358-363 |
4333802 | CIF | C12 H10 As2 N2 O9 | P b c n | 8.436; 7.843; 23.14 90; 90; 90 | 1531 | Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions Inorganic Chemistry, 2013, 52, 1843-1853 |
4502070 | CIF | C12 H16 Cu N8 O3 | P b c n | 14.921; 4.993; 20.56 90; 90; 90 | 1531.7 | Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries Crystal Growth & Design, 2010, 10, 4898 |
8104821 | CIF | C14 H14 F6 N2 O | P b c n | 17.7552; 10.7574; 8.0207 90; 90; 90 | 1532 | Hosten, Eric C.; Betz, Richard The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 329-331 |
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 |
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 |
2220809 | CIF HKL Paper | C11 H21 Cl Cu N4 O4 | P b c n | 12.53; 14.469; 8.501 90; 90; 90 | 1541.2 | He, Xiao-qiang (11,13-Dimethyl-1,4,7,10-tetraazacyclotrideca-10,13-dienato)copper(II) perchlorate Acta Crystallographica Section E, 2009, 65, m205 |
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 |
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 |
7155036 | CIF | C20 H14 N4 | P b c n | 11.1295; 11.4081; 12.1912 90; 90; 90 | 1547.9 | Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study. Organic & biomolecular chemistry, 2016, 14, 3793-3808 |
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 |
7009430 | CIF | C20 H14 N4 | P b c n | 11.1385; 11.4375; 12.1929 90; 90; 90 | 1553.33 | Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Phillips, David; Raithby, Paul R.; Schofield, Emma; Sparr, Emma; Tocher, Derek A.; Zehnder, Margareta; Zimmermann, Yves Development of supramolecular structure through alkylation of pendant pyridyl functionality Journal of the Chemical Society, Dalton Transactions, 2000, 2219 |
2242031 | CIF HKL Paper | C14 H16 Cu2 O10 | P b c n | 19.5028; 5.0553; 15.7573 90; 90; 90 | 1553.6 | van der Horn, Jitschaq A.; Lutz, Martin Crystal structure of <i>catena</i>-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate] Acta Crystallographica Section E, 2017, 73, 235-238 |
2215952 | CIF HKL Paper | C18 H18 N4 | P b c n | 23.844; 7.0493; 9.2504 90; 90; 90 | 1554.8 | Li-Na Zhu; Shan Gao; Li-Hua Huo 1,3-Bis(2-pyridylaminomethyl)benzene Acta Crystallographica Section E, 2007, 63, o4399-o4399 |
7239746 | CIF | C22 H16 N2 | P b c n | 18.3966; 11.3788; 7.4311 90; 90; 90 | 1555.6 | Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging RSC Advances, 2020, 10, 2170-2179 |
7121635 | CIF | C19 H22 O4 | P b c n | 7.4984; 10.1051; 20.5483 90; 90; 90 | 1556.99 | Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism. Chemical communications (Cambridge, England), 2018, 54, 5851-5854 |
4505023 | CIF | C8 H13 N O2 | P b c n | 23.387; 6.654; 10.007 90; 90; 90 | 1557.3 | Fábián, László; Kálmán, Alajos; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Cs. Crystal Engineering with Alicyclic β-Amino Acids: Construction of Hydrogen-Bonded Bilayers Crystal Growth & Design, 2005, 5, 773 |
7236766 | CIF | C17 H16 O2 S2 | P b c n | 10.9395; 8.3215; 17.16 90; 90; 90 | 1562.1 | Wang, Jiaxing; Gao, Ya; Zhang, Junji; Tian, He Invisible photochromism and optical anti-counterfeiting based on D‒A type inverse diarylethene Journal of Materials Chemistry C, 2017, 5, 4571 |
4316347 | CIF | H20 Li4 O18 U | P b c n | 13.1179; 9.2359; 12.8958 90; 90; 90 | 1562.4 | May Nyman; Mark A. Rodriguez; Charles F. Campana Self-Assembly of Alkali-Uranyl-Peroxide Clusters Inorganic Chemistry, 2010, 49, 7748-7755 |
7714267 | CIF | C15 H23 B F2 N2 | P b c n | 10.929; 10.2818; 13.9166 90; 90; 90 | 1563.81 | Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli Blue Emissive Amidinate Based Tetra coordinate Boron Compounds Dalton Transactions, 2023 |
4072956 | CIF | C12 H19 Bi Br2 N2 | P b c n | 16.177; 11.491; 8.4265 90; 90; 90 | 1566.4 | Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C. Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides Organometallics, 2007, 26, 1196 |
2013660 | CIF HKL Paper | C18 H14 N2 O5 | P b c n | 4.735; 12.516; 26.48 90; 90; 90 | 1569.3 | Reck, Günter; Orgzall, Ingo; Schulz, Burkhard; Dietzel, Birgit Two polymorphic forms of 2,5-bis(4-methoxycarbonylphenyl)-1,3,4-oxadiazole Acta Crystallographica Section C, 2003, 59, o634-o635 |
1566990 | CIF | C14 H26 N4 Zn | P b c n | 12.064; 11.9661; 10.878 90; 90; 90 | 1570.34 | Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit Chemical Science, 2022 |
2104619 | CIF Paper | C14 H26 Cu N4 | P b c n | 11.978; 12.653; 10.363 90; 90; 90 | 1570.6 | Marsh, Richard E. Space groups <i>P</i>1 and <i>Cc</i>: how are they doing? Acta Crystallographica Section B, 2009, 65, 782-783 |
8106569 | CIF | C12 H14 Cl4 N2 Zn | P b c n | 12.7029; 16.0791; 7.7171 90; 90; 90 | 1576.23 | Song, Qingmei; Song, Lijun Crystal Structure of 1,1′-dimethyl-[4,4′-bipyridine]-1,1′-diium tetrachloridozincate(II), C12H14Cl4N2Zn Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 461-462 |
9004294 | CIF | B11 H9 Mg3 O24 | P b c n | 16.291; 9.181; 10.571 90; 90; 90 | 1581.08 | Burns, P. C.; Hawthorne, F. C. Structure and hydrogen bonding in preobrazhenskite, a complex heteropolyhedral borate The Canadian Mineralogist, 1994, 32, 387-396 |
4505053 | CIF | C6 H18 B2 Ge3 N2 O11 | P b c n | 6.7947; 11.6963; 19.9102 90; 90; 90 | 1582.32 | Wang, Guo-Ming; Sun, Yan-Qiong; Yang, Guo-Yu Syntheses and Structures of Two New Organically Templated Borogermanates Crystal Growth & Design, 2005, 5, 313 |
4315810 | CIF | C14 H24 Fe I N4 | P b c n | 9.9374; 14.8792; 10.7044 90; 90; 90 | 1582.8 | Corinna R. Hess; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt Influence of the Redox Active Ligand on the Reactivity and Electronic Structure of a Series of Fe(TIM) Complexes Inorganic Chemistry, 2010, 49, 5686-5700 |
7019928 | CIF | C11 H5 Ag5 O12 | P b c n | 18.1669; 13.5876; 6.4273 90; 90; 90 | 1586.54 | Li, Bo; Ji, Can; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W. Benzenepolycarboxylate-templated assembly of silver coordination polymers exhibiting argentophilic honeycomb layer and tubular motifs. Dalton transactions (Cambridge, England : 2003), 2012, 41, 9151-9153 |
4120296 | CIF | C2 H2 Br2 N4 O4 | P b c n | 10.1648; 10.6545; 14.6781 90; 90; 90 | 1589.7 | Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers Journal of the American Chemical Society, 2013, 135, 11787-11790 |
2201417 | CIF HKL Paper | C6 H9 N3 O S | P b c n | 7.9246; 12.543; 16.015 90; 90; 90 | 1591.9 | Carballo, Rosa; Casas, J. Sergio; García-Martínez, Emilia; Pereiras-Gabián, Gumersindo; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M. 2,5-Dihydro-3,4-dimethyl-5-oxo-1<i>H</i>-pyrazole-1-carbothioamide Acta Crystallographica Section E, 2002, 58, o787-o789 |
4129519 | CIF | C15 H8 Fe2 O7 | P b c n | 19.1564; 7.3931; 11.2579 90; 90; 90 | 1594.4 | Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S. [5]Radialene. Journal of the American Chemical Society, 2015, 137, 14653-14659 |
4316821 | CIF | C4 H7 Cu O7.5 | P b c n | 7.783; 10.951; 18.722 90; 90; 90 | 1596 | Shao-Ming Fang; Qiang Zhang; Min Hu; E. Carolina Sañudo; Miao Du; Chun-Sen Liu From Infinite One-Dimensional Helix to Discrete CuII15 Cluster along with in Situ SN2 Ring-Cleavage of cis-Epoxysuccinic Acid: pH-Controlled Assemblies, Crystal Structures, and Properties Inorganic Chemistry, 2010, 49, 9617-9626 |
2240594 | CIF HKL | C17 H16 O6 | P b c n | 5.4307; 8.131; 36.149 90; 90; 90 | 1596.2 | Devarajegowda, H. C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S. Crystal structure of bis(4-methoxyphenyl) malonate Acta Crystallographica Section E, 2015, 71, o330-o331 |
4509509 | CIF | C6 H8 Cl8 N4 Re2 | P b c n | 6.4276; 15.9365; 15.5925 90; 90; 90 | 1597.2 | Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V. Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts Crystal Growth & Design, 2009, 9, 2895 |
2223139 | CIF HKL Paper | C20 H15 N O2 | P b c n | 8.836; 9.71; 18.621 90; 90; 90 | 1597.6 | Wang, Yong-Gang; Tan, Xue-Jie; Xing, Dian-Xiang 4,4'-(Phenylimino)dibenzaldehyde Acta Crystallographica Section E, 2009, 65, o2192 |
4115015 | CIF | C10 H18 Cl4 Pt Si2 | P b c n | 8.26; 16.961; 11.406 90; 90; 90 | 1598 | Aroop K. Roy; Richard B. Taylor The First Alkene-Platinum-Silyl Complexes: Lifting the Hydrosilation Mechanism Shroud with Long-Lived Precatalytic Intermediates and True Pt Catalysts Journal of the American Chemical Society, 2002, 124, 9510-9524 |
2007611 | CIF Paper | C8 H8 O2 S | P b c n | 9.747; 10.648; 15.418 90; 90; 90 | 1600.2 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. Conformational Variations in Vinylsulfoximines Acta Crystallographica Section C, 1998, 54, 1335-1341 |
2234618 | CIF HKL Paper | C10 H20 Cd N4 O6 S | P b c n | 14.465; 15.83; 6.99 90; 90; 90 | 1600.6 | Yu, Chua-Hua <i>catena</i>-Poly[[diaquabis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] Acta Crystallographica Section E, 2012, 68, m655 |
7207714 | CIF | C3 H6 N6 O5 | P b c n | 23.169; 8.6022; 8.0337 90; 90; 90 | 1601.15 | Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M. Energetic salts based on nitroiminotetrazole-containing acetic acid Journal of Materials Chemistry, 2012, 22, 6123 |
4032726 | CIF | C8 H9 N2 O2 | P b c n | 16.9866; 7.995; 11.8016 90; 90; 90 | 1602.8 | Otevrel, Jan; Bobal, Pavel Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction. The Journal of organic chemistry, 2017, 82, 8342-8358 |
1564578 | CIF | C10 H10 Mn3 N4 O12 | P b c n | 9.3789; 7.3342; 23.3025 90; 90; 90 | 1602.9 | Sun, Ping-Ping; Zhang, Yu-Hang; Yu, Xuehua; Shi, Qi; Tian, Bo; Gao, Jun; Shi, Fa-Nian Cu powder decorated 3D Mn-MOF with excellent electrochemical properties for supercapacitors Inorganica Chimica Acta, 2020, 508, 119629 |
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 |
2016251 | CIF HKL Paper | C8 H22 Cl2 N2 Si3 | P b c n | 6.8227; 13.4226; 17.5317 90; 90; 90 | 1605.52 | Böhme, Uwe; Bendrath, Franziska; Günther, Betty 2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane Acta Crystallographica Section C, 2007, 63, o631-o632 |
4027617 | CIF | C22 H12 N2 | P b c n | 13.333; 8.0402; 14.989 90; 90; 90 | 1606.8 | Peng-Fei Li; Chuan-Feng Chen Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives Journal of Organic Chemistry, 2012, 77, 9250-9259 |
7244051 | CIF | C6 H4 Cl N O3 Pb | P b c n | 13.0104; 7.1278; 17.3503 90; 90; 90 | 1608.99 | Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055 |
7043015 | CIF | C12 H28 B Br P2 | P b c n | 13.5244; 12.0969; 9.8466 90; 90; 90 | 1610.94 | Hill, Anthony; Ward, Jas S. Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts Dalton Trans., 2017 |
4320872 | CIF | F24 Ge20 H69.34 N16 O38.67 | P b c n | 7.0065; 11.7976; 19.52 90; 90; 90 | 1613.52 | Tony Conradsson; Xiaodong Zou; Mike S. Dadachov Synthesis and Crystal Structure of a Novel Germanate: (NH4)4[(GeO2)3(GeO1.5F3)2].0.67H2O Inorganic Chemistry, 2000, 39, 1716-1720 |
6000143 | CIF | F6 Ge5 H17.34 N4 O9.67 | P b c n | 7.0065; 11.7976; 19.52 90; 90; 90 | 1613.52 | Conradsson, T.; Zou, X. D.; Dadachov, M. S. Synthesis and crystal structure of a novel germanate: (NH4)(4)[(GeO2)(3)(GeO1.5F3)(2)] 0.67H(2)O Inorganic Chemistry, 2000, 39, 1716-1720 |
4341536 | CIF | Ge2 H12 Mn3 N4 S7 | P b c n | 9.1068; 13.923; 12.75 90; 90; 90 | 1616.6 | Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides. Inorganic chemistry, 2014, 53, 10248-10256 |
7150608 | CIF | C22 H12 N2 S2 | P b c n | 21.4777; 10.0334; 7.525 90; 90; 90 | 1621.6 | Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives Organic & Biomolecular Chemistry, 2009, 7, 2082-2092 |
7101401 | CIF | C20 H20 Zr | P b c n | 14.261; 6.462; 17.607 90; 90; 90 | 1622.6 | Gerhard Erker; Gereon Dierker; Roland Frohlich; Stefan Grimme; Gerald Kehr Stereo-Electronic Interaction in Complex Molecules: Cyclopropyl Conjugation with Lewis Acidic Centres Across Connecting Carbon Carbon Triple Bonds Chemical Communications, 2006 |
7110362 | CIF | C14 H28 Cl Ga N2 | P b c n | 10.9098; 12.0848; 12.3099 90; 90; 90 | 1622.97 | Luo, Bing; Young Jr., Victor G.; Gladfelter, Wayne L. Syntheses and structures of quinuclidine-stabilized four- and five-coordinate mono- and di-chlorogallane Chemical Communications, 1999, 123 |
4503498 | CIF | C6 H4 Cl N O3 Pb | P b c n | 13.0592; 7.1478; 17.3911 90; 90; 90 | 1623.36 | Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties Crystal Growth & Design, 2008, 8, 3566 |
2205788 | CIF Paper | C21 H21 N | P b c n | 16.0767; 11.2793; 8.9528 90; 90; 90 | 1623.4 | Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C. <i>N</i>,<i>N</i>-Bis-(3-methylphenyl)-<i>N</i>-(4-methylphenyl)amine Acta Crystallographica Section E, 2005, 61, o1297-o1299 |
2243504 | CIF HKL Paper | C5 H7 Cu I N O S | P b c n | 26.982; 8.195; 7.351 90; 90; 90 | 1625.4 | Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F. Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands Acta Crystallographica Section E, 2020, 76, 1336-1344 |
7212264 | CIF | C18 H14 N4 O5 | P b c n | 9.991; 22.751; 7.1579 90; 90; 90 | 1627 | Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH) CrystEngComm, 2010, 12, 4287 |
4503018 | CIF | C10 H8 O15 U2 | P b c n | 12.8489; 12.7051; 9.9736 90; 90; 90 | 1628.16 | Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems Crystal Growth & Design, 2012, 12, 526 |
2231077 | CIF HKL Paper | C12 H18 Co N2 O6 S | P b c n | 15.132; 16.687; 6.4503 90; 90; 90 | 1628.8 | Alam, Naveed; Zeller, Matthias; Ahmad Tajidi, Nur Syamimi; Arifin, Zainudin; Mazhar, Muhammad <i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] Acta Crystallographica Section E, 2011, 67, m1065-m1066 |
7202403 | CIF | C14 H11 N2 Nd O8 | P b c n | 16.652; 9.474; 10.332 90; 90; 90 | 1630 | Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties CrystEngComm, 2008, 10, 1674 |
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 |
7208950 | CIF | C12 H21 Ce O10 | P b c n | 20.7047; 8.8643; 8.8911 90; 90; 90 | 1631.81 | Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K. Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks CrystEngComm, 2013, 15, 100 |
4305556 | CIF | C7 H8 Hg S | P b c n | 23.8629; 9.8304; 6.9604 90; 90; 90 | 1632.78 | Jonathan G. Melnick; Kevin Yurkerwich; Daniela Buccella; Wesley Sattler; Gerard Parkin Molecular Structures of Thimerosal (Merthiolate) and Other Arylthiolate Mercury Alkyl Compounds Inorganic Chemistry, 2008, 47, 6421-6426 |
7013928 | CIF | C19 H14 Cu N4 O2 | P b c n | 18.777; 12.749; 6.8213 90; 90; 90 | 1632.9 | Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes. Dalton transactions (Cambridge, England : 2003), 2004, 862-871 |
8101079 | CIF | C8 H8 O2 Se | P b c n | 9.865; 10.491; 15.775 90; 90; 90 | 1633 | Ward, A. D.; Ward, V. A.; Tiekink, E. R. T. Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 553-554 |
7244053 | CIF | C6 H4 Br N O3 Pb | P b c n | 13.2594; 7.0293; 17.5526 90; 90; 90 | 1635.98 | Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055 |
7703681 | CIF | C20 H18 Co0 N2 O3 Zn | P b c n | 7.225; 9.06; 25.026 90; 90; 90 | 1638.2 | Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2159-2167 |
7243619 | CIF | C23 H21 N | P b c n | 11.0913; 16.1163; 9.1839 90; 90; 90 | 1641.6 | Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955 |
7703682 | CIF | C20 H18 N2 O3 Zn | P b c n | 7.2405; 9.0605; 25.074 90; 90; 90 | 1644.9 | Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2159-2167 |
2004149 | CIF Paper | C12 H14 Cd Cl4 N2 O | P b c n | 7.286; 7.408; 30.52 90; 90; 90 | 1647.3 | Huang, X.-Y.; Ye, Q.; Meng, Q.-J.; You, X.-Z. 4,4'-Oxydianilinium Tetrachlorocadmate(II), an Intercalation Compound Acta Crystallographica Section C, 1995, 51, 2285-2287 |
4501832 | CIF | C21 H12 N4 | P b c n | 8.1449; 11.5943; 17.4855 90; 90; 90 | 1651.2 | Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion Crystal Growth & Design, 2010, 10, 3964 |
7202441 | CIF | C12 H14 Cd Cl4 N2 O | P b c n | 7.2994; 7.4104; 30.527 90; 90; 90 | 1651.3 | Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M. “Reverse” engineering: Toward 0-D cadmium halide clusters CrystEngComm, 2008, 10, 1910 |
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 |
4330393 | CIF | C4 H18 Cd Cl2 Na2 O11 P2 | P b c n | 18.5304; 8.8733; 10.0502 90; 90; 90 | 1652.51 | Alexander V. Anyushin; Dmitry A. Mainichev; Nikolay K. Moroz; Pavel A. Abramov; Dmitry Yu. Naumov; Maxim N. Sokolov; Vladimir P. Fedin Cd2+ Complexation with P(CH2OH)3, OP(CH2OH)3, and (HOCH2)2PO2-: Coordination in Solution and Coordination Polymers Inorganic Chemistry, 2012, 51, 9995-10003 |
7107807 | CIF | C18 H22 B2 N2 | P b c n | 12.4867; 8.0814; 16.3838 90; 90; 90 | 1653.29 | Pospiech, Steffen; Brough, Sarah; Bolte, Michael; Lerner, Hans-Wolfram; Bettinger, Holger F.; Wagner, Matthias An inorganic propellane with central B‒B bond Chemical Communications (Cambridge, United Kingdom), 2012, 48, 5886-5888 |
7040897 | CIF | C12 H8 N16 Si | P b c n | 12.03; 9.833; 13.979 90; 90; 90 | 1653.6 | Portius, Peter; Davis, Martin Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17141-17152 |
7039095 | CIF | C6 Cl5 | P b c n | 13.3969; 10.5584; 11.6957 90; 90; 90 | 1654.4 | Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W. Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14651-14657 |
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 |
2208380 | CIF HKL Paper | C7 H5 Cl2 N O | P b c n | 12.7941; 13.5868; 9.5283 90; 90; 90 | 1656.31 | Rauf, M. Khawar; Badshah, Amin; Bolte, Michael; Saeed, Aamer 2,6-Dichlorobenzamide Acta Crystallographica Section E, 2006, 62, o1070-o1071 |
7243035 | CIF | C23 H21 N | P b c n | 11.1052; 16.1802; 9.2208 90; 90; 90 | 1656.8 | Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors Green Chemistry, 2021, 23, 5113-5119 |
9016471 | CIF | Ca8 O18 Si5 | P b c n | 5.0851; 11.4165; 28.6408 90; 90; 90 | 1662.71 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
2234999 | CIF HKL Paper | C6 H14 Br N | P b c n | 22.137; 9.918; 7.5853 90; 90; 90 | 1665.4 | Xu, Qian 2-Methylpiperidinium bromide Acta Crystallographica Section E, 2012, 68, o1962 |
2230896 | CIF HKL Paper | C10 H20 Cu N6 O6 | P b c n | 12.96; 17.635; 7.288 90; 90; 90 | 1665.7 | Zhu, Run-Qiang Bis(2-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate Acta Crystallographica Section E, 2011, 67, m937 |
7209887 | CIF | C12 H8 Cl2 Co N4 S2 | P b c n | 11.2928; 9.7123; 15.1913 90; 90; 90 | 1666.17 | Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence CrystEngComm, 2013, 15, 5326 |
2236629 | CIF HKL Paper | C16 H16 N4 Ni O6 | P b c n | 11.2806; 16.3703; 9.0253 90; 90; 90 | 1666.67 | Bian, Chang-Xin; Yao, Xiao-Qiang; Song, Yu-Min Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)] Acta Crystallographica Section E, 2012, 68, m1286-m1287 |
7114563 | CIF | C21 H12 N4 | P b c n | 8.165; 11.636; 17.565 90; 90; 90 | 1668.81 | Shanmugam Easwaramoorthi; Pichandi Thamaraiselvi; Kumaraguru Duraimurugan; Arockiam Jesin Beneto; Ayyanar Siva; Balachandran Unni Nair Charge instability of symmetry broken dipolar states in quadrupolar and octupolar triphenylamine derivatives Chem.Commun., 2014, 50, 6902 |
2216632 | CIF HKL Paper | C14 H14 Co N4 O2 S2 | P b c n | 11.371; 8.255; 17.779 90; 90; 90 | 1669 | Yu-Peng Pan; Da-Cheng Li; Da-Qi Wang Bis(pyridine-2-methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II) Acta Crystallographica Section E, 2007, 63, m3034-m3034 |
7109306 | CIF | C22 H17 N O2 | P b c n | 17.1516; 11.589; 8.4053 90; 90; 90 | 1670.72 | Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto Asymmetric transformation by dynamic crystallization of achiral succinimides Chem.Commun., 2013, 49, 4776 |
2238701 | CIF Paper | C22 H12 N4 O2 | P b c n | 7.0994; 25.014; 9.4083 90; 90; 90 | 1670.8 | Dong, Wen-xian; Tong, Rong-rong; Zheng, Chang-ge 2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline Acta Crystallographica Section E, 2013, 69, o1613 |
2234566 | CIF Paper | C14 H14 Cl2 N4 Zn | P b c n | 11.327; 10.207; 14.452 90; 90; 90 | 1670.9 | Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng <i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1-yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^] Acta Crystallographica Section E, 2012, 68, m621 |
7703680 | CIF | C20 H18 Co N2 O3 | P b c n | 7.2787; 9.128; 25.164 90; 90; 90 | 1671.9 | Hu, Zhao-Bo; Feng, Xin; Li, Jing; Zhang, Yi-Quan; Yin, Lei; Wang, Zhenxing; Ouyang, Zhongwen; Kurmoo, Mohamedally; Song, You Optimal diamagnetic dilution concentration for suppressing the dipole-dipole interaction in single-ion magnets. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2159-2167 |
2211877 | CIF HKL Paper | C20 H18 N2 O3 Zn | P b c n | 7.284; 9.131; 25.199 90; 90; 90 | 1676 | Silva, Luiz Everson da; Joussef, Antonio Carlos; Rebelo, Ricardo Andrade; Foro, Sabine; Schmidt, Boris Aquabis(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II) Acta Crystallographica Section E, 2007, 63, m129-m131 |
7059075 | CIF | C14 H14 Co N4 O2 S2 | P b c n | 11.4021; 8.2603; 17.7971 90; 90; 90 | 1676.22 | I., Mantasha; Shahid, M.; Kumar, Manjeet; Ansari, Azaj; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Song, You; Ahmad, Musheer; Khan, Ishaat M. Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach New Journal of Chemistry, 2020, 44, 1371-1388 |
2001846 | CIF Paper | C13 H19 Mn N9 O2 | P b c n | 18.643; 12.616; 7.127 90; 90; 90 | 1676.3 | Brooker, S.; McKee, V. Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine Acta Crystallographica Section C, 1993, 49, 441-445 |
2215295 | CIF HKL Paper | C19 H20 Br2 | P b c n | 10.9244; 8.8066; 17.4316 90; 90; 90 | 1677.04 | K. Chinnakali; R. Surendran; M. Pushparani; A. K. Mohanakrishnan; Hoong-Kun Fun 2,7-Bis(bromomethyl)-9,9'-diethylfluorene Acta Crystallographica Section E, 2007, 63, o3826-o3826 |
2010139 | CIF Paper | C16 H14 Br2 N4 O2 | P b c n | 18.975; 10.327; 8.569 90; 90; 90 | 1679.1 | Ueng, C.-H.; Wang, Y.; Yeh, M.-Y. Two heterocyclic 1,2,4,5-tetrazines Acta Crystallographica Section C, 1994, 50, 1781-1784 |
2020859 | CIF HKL | C16 H18 N4 O6 | P b c n | 6.9499; 9.0237; 26.828 90; 90; 90 | 1682.5 | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding Acta Crystallographica Section C Structural Chemistry, 2015, 71, 602 |
5000024 | CIF | C12 Cl10 | P b c n | 13.372; 10.497; 11.992 90; 90; 90 | 1683.27 | Pedersen, B. Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure Acta Crystallographica Section B, 1975, 31, 2931-2933 |
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 |
4503958 | CIF | C12 H8 N2 O7.9 Pb | P b c n | 13.369; 15.588; 8.082 90; 90; 90 | 1684.3 | Zhao, Ya-Hui; Xu, Hong-Bin; Shao, Kui-Zhan; Xing, Yan; Su, Zhong-Min; Ma, Jian-Fang Syntheses, Characterization, and Luminescent Properties of Three 3D Lead−Organic Frameworks with 1D Channels Crystal Growth & Design, 2007, 7, 513 |
2013571 | CIF HKL Paper | C18 H18 N2 S2 | P b c n | 6.7333; 12.6195; 19.827 90; 90; 90 | 1684.7 | Li, Yi-Zhi; Liu, Wei-Wei; Li, Yan-Jie; Pan, Guo-Jun; Hu, Hong-Wen 2,3-Bis(2-methylphenylimino)-1,4-dithiacyclohexane Acta Crystallographica Section C, 2003, 59, o611-o612 |
7244052 | CIF | C6 H4 I N O3 Pb | P b c n | 13.7536; 6.8778; 17.8671 90; 90; 90 | 1690.13 | Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055 |
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 |
2105618 | CIF Paper | C8 H10 N4 O | P b c n | 16.409; 7.619; 13.544 90; 90; 90 | 1693.3 | Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds Acta Crystallographica Section B, 1999, 55, 985-993 |
7209889 | CIF | C12 H8 Cl2 N4 S2 Zn | P b c n | 11.3237; 9.7997; 15.2661 90; 90; 90 | 1694.06 | Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence CrystEngComm, 2013, 15, 5326 |
4310915 | CIF | C12 H26 N2 S2 Zn | P b c n | 7.083; 11.497; 20.83 90; 90; 90 | 1696.3 | Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison Inorganic Chemistry, 2004, 43, 2859-2866 |
7209890 | CIF | C12 H8 Cl2 Co N4 S2 | P b c n | 11.357; 9.7125; 15.391 90; 90; 90 | 1697.7 | Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence CrystEngComm, 2013, 15, 5326 |
4318936 | CIF | Gd2 Mo5 O18 | P b c n | 19.246; 9.4414; 9.3446 90; 90; 90 | 1698 | Haruo Naruke; Toshihiro Yamase Structures of Novel R~2~Mo~5~O~18~ and R~6~Mo~12~O~45~ (R= Eu and Gd) Prepared by Thermal Decomposition of Polyoxomolybdate Precursor [R~2~(H~2~O)~12~Mo~8~O~27~].nH~2~O Inorganic Chemistry, 2002, 41, 6514-6520 |
7016376 | CIF | C24 H14 N4 | P b c n | 21.426; 10.0132; 7.9162 90; 90; 90 | 1698.4 | Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M. Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 8206-8212 |
7150606 | CIF | C24 H14 N4 | P b c n | 21.423; 10.0153; 7.9227 90; 90; 90 | 1699.88 | Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives Organic & Biomolecular Chemistry, 2009, 7, 2082-2092 |
4121592 | CIF | C18 H12 N2 O4 S Se2 | P b c n | 4.4551; 15.982; 23.91 90; 90; 90 | 1702.4 | Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael Unusual doping of donor-acceptor-type conjugated polymers using lewis acids. Journal of the American Chemical Society, 2014, 136, 5138-5149 |
4309214 | CIF | C14 H28 Br In N2 | P b c n | 11.215; 12.033; 12.634 90; 90; 90 | 1705 | Marcus L. Cole; Cameron Jones; Marc Kloth Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]- Inorganic Chemistry, 2005, 44, 4909-4911 |
2211451 | CIF HKL Paper | C4 H10 B Cl3 O | P b c n | 11.4235; 11.8071; 12.6502 90; 90; 90 | 1706.24 | Weinmann, Markus; Nuss, Jürgen; Jansen, Martin Diethyl ether‒trichloroborane, (C~2~H~5~)~2~O‒BCl~3~ Acta Crystallographica Section E, 2006, 62, o5590-o5591 |
2012051 | CIF HKL Paper | C20 H18 Cu N2 O3 | P b c n | 7.5388; 9.1091; 24.8514 90; 90; 90 | 1706.59 | Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul (2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes Acta Crystallographica Section C, 2001, 57, 714-716 |
2018027 | CIF HKL Paper | C18 H20 O10 | P b c n | 14.2694; 16.5639; 7.2237 90; 90; 90 | 1707.37 | Thébault, Frédéric; Öhrström, Lars; Haukka, Matti 2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks Acta Crystallographica Section C, 2011, 67, o143-o145 |
7209884 | CIF | C12 H8 Br2 Co N4 S2 | P b c n | 11.3517; 9.6554; 15.5866 90; 90; 90 | 1708.37 | Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence CrystEngComm, 2013, 15, 5326 |
2244109 | CIF HKL Paper | C22 H19 N O2 | P b c n | 20.8269; 9.09843; 9.0158 90; 90; 90 | 1708.42 | Naghiyev, Farid N.; Khrustalev, Victor N.; Safronenko, Marina G.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 2,2'-(phenylazanediyl)bis(1-phenylethan-1-one) Acta Crystallographica Section E, 2022, 78 |
4318935 | CIF | Eu2 Mo5 O18 | P b c n | 19.2612; 9.4618; 9.3779 90; 90; 90 | 1709.08 | Haruo Naruke; Toshihiro Yamase Structures of Novel R~2~Mo~5~O~18~ and R~6~Mo~12~O~45~ (R= Eu and Gd) Prepared by Thermal Decomposition of Polyoxomolybdate Precursor [R~2~(H~2~O)~12~Mo~8~O~27~].nH~2~O Inorganic Chemistry, 2002, 41, 6514-6520 |
7202401 | CIF | C15 H13 N2 Nd O8 | P b c n | 16.39; 10.085; 10.35 90; 90; 90 | 1710.8 | Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties CrystEngComm, 2008, 10, 1674 |
7019878 | CIF | C16 H20 Cl N5 Pd | P b c n | 12.811; 14.946; 8.938 90; 90; 90 | 1711.4 | Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property. Dalton transactions (Cambridge, England : 2003), 2012, 41, 9503-9512 |
2213446 | CIF HKL Paper | C11 H8 O3 | P b c n | 14.9634; 7.1821; 15.9359 90; 90; 90 | 1712.61 | Dufort, Marisa D.; Lalancette, Roger A.; Thompson, Hugh W. (<i>E</i>)-(1-Oxoindan-2-ylidene)acetic acid: catemeric hydrogen bonding in an unsaturated γ-keto acid Acta Crystallographica Section E, 2007, 63, o2084-o2086 |
4081492 | CIF | C20 H28 Fe N2 | P b c n | 17.9016; 7.908; 12.1015 90; 90; 90 | 1713.16 | Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis Organometallics, 2013, 32, 5784 |
4072957 | CIF | C12 H19 Bi I2 N2 | P b c n | 16.278; 11.848; 8.8883 90; 90; 90 | 1714.2 | Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C. Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides Organometallics, 2007, 26, 1196 |
4313628 | CIF | C17 H12 Cl2 Fe N5 O2 | P b c n | 16.879; 14.0709; 7.2228 90; 90; 90 | 1715.4 | Ana Tesouro Vallina; Helen Stoeckli-Evans; Antonia Neels; Jürgen Ensling; Silvio Decurtins Iron-Promoted Nucleophilic Additions to Diimine-Type Ligands: A Synthetic and Structural Study Inorganic Chemistry, 2003, 42, 3374-3382 |
7058810 | CIF | C17 H10 F6 O2 S2 | P b c n | 12.065; 8.649; 16.45 90; 90; 90 | 1716.6 | Fu, Qiu-Ting; Yan, Xiaodong; Li, Tao; Zhang, Xin-Yue; He, Yue; Zhang, Wen-Da; Liu, Yong; Li, Yunxing; Gu, Zhi-Guo Diarylethene-based conjugated polymer networks for ultrafast photochromic films New Journal of Chemistry, 2019, 43, 15797 |
2008246 | CIF Paper | C14 H16 Cl2 N2 Ni S2 | P b c n | 14.5297; 8.2314; 14.3684 90; 90; 90 | 1718.5 | Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II) Acta Crystallographica Section C, 1999, 55, 318-320 |
2231943 | CIF HKL Paper | C7 H16 Cl N | P b c n | 24.2052; 9.7594; 7.2764 90; 90; 90 | 1718.89 | Al-Dajani, Mohammad T. M.; Talaat, Jamal; Salhin, Abdusalam; Hemamalini, Madhukar; Fun, Hoong-Kun 2-Ethylpiperidinium chloride Acta Crystallographica Section E, 2011, 67, o2653 |
4302010 | CIF | C12 H16 Cl Dy N2 O8 | P b c n | 8.854; 19.535; 9.946 90; 90; 90 | 1720.3 | Wentong Chen; Shunichi Fukuzumi Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes Inorganic Chemistry, 2009, 48, 3800-3807 |
2227014 | CIF HKL Paper | C20 H26 O4 | P b c n | 22.692; 5.546; 13.7099 90; 90; 90 | 1725.4 | Kane, Christopher M.; Drake, Stephen D.; Holman, K. Travis 2-[4-(2,6-Dimethoxyphenyl)butyl]-1,3-dimethoxybenzene Acta Crystallographica Section E, 2010, 66, o1921 |
7110452 | CIF | C18 H24 Li2 N2 O | P b c n | 22.617; 10.047; 7.594 90; 90; 90 | 1725.6 | Clegg, William; Liddle, Stephen T.; Mulvey, Robert E.; Robertson, Alan Dis-assembling lithium amide ladder structures: new insight through the structure of [{[PhCH2N(H)Li]2·thf}∞], a polymer of (NLi)2 planar rings connected by thf-bridged (NLi)2 butterfly junctions Chemical Communications, 1999, 511 |
2227160 | CIF HKL Paper | C14 H14 Mn N4 O2 S2 | P b c n | 11.4759; 8.398; 17.9451 90; 90; 90 | 1729.5 | Gao, Qihe; Bao, Qianqian; Rong, Rong [(2-Pyridyl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)manganese(II) Acta Crystallographica Section E, 2010, 66, m1203 |
2237043 | CIF HKL Paper | C8 H11 O2 P | P b c n | 13.5314; 8.0328; 15.922 90; 90; 90 | 1730.6 | Burrow, Robert A.; da Silva, Rubia M. Siqueira <i>rac</i>-Ethyl(phenyl)phosphinic acid Acta Crystallographica Section E, 2012, 68, o3488 |
2009590 | CIF Paper | C6 H12 N2 Pt | P b c n | 25.3136; 6.0161; 11.3754 90; 90; 90 | 1732.3 | Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J. Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II) Acta Crystallographica Section C, 1994, 50, 533-536 |
1565678 | CIF | C19 H20 Mn N2 O4 | P b c n | 24.7944; 8.0362; 8.6956 90; 90; 90 | 1732.62 | Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study Inorganica Chimica Acta, 2020, 499, 119176 |
7048586 | CIF | C16 H22 Cl2 Fe N4 | P b c n | 14.1995; 8.0887; 15.09 90; 90; 90 | 1733.17 | Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M. O-H and (CO)N-H bond weakening by coordination to Fe(ii). Dalton transactions (Cambridge, England : 2003), 2019, 48, 2179-2189 |
2011869 | CIF Paper | C20 H22 N2 S | P b c n | 19.4661; 10.7312; 8.3 90; 90; 90 | 1733.83 | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D. A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide Acta Crystallographica Section C, 2001, 57, 431-432 |
4021133 | CIF | C22 H26 S | P b c n | 17.9083; 12.7853; 7.5734 90; 90; 90 | 1734.03 | Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards Journal of Organic Chemistry, 2004, 69, 7336-7339 |
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 |
4302009 | CIF | C12 H16 Cl N2 O8 Tb | P b c n | 8.869; 19.589; 10.001 90; 90; 90 | 1737.5 | Wentong Chen; Shunichi Fukuzumi Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes Inorganic Chemistry, 2009, 48, 3800-3807 |
7209885 | CIF | C12 H8 Br2 N4 S2 Zn | P b c n | 11.3675; 9.7875; 15.6246 90; 90; 90 | 1738.38 | Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence CrystEngComm, 2013, 15, 5326 |
7005998 | CIF | C7 H5 Er N O5 | P b c n | 7.3785; 19.1406; 12.3183 90; 90; 90 | 1739.7 | Cheng, Jian-Wen; Zheng, Shou-Tian; Yang, Guo-Yu Diversity of crystal structure with different lanthanide ions involving in situ oxidation-hydrolysis reaction. Dalton transactions (Cambridge, England : 2003), 2007, 4059-4066 |
7000850 | CIF | C14 H14 N8 O4 Pt | P b c n | 8.0488; 14.1103; 15.328 90; 90; 90 | 1740.82 | Mackay, Fiona S.; Farrer, Nicola J.; Salassa, Luca; Tai, Hui-Chung; Deeth, Robert J.; Moggach, Stephen A.; Wood, Peter A.; Parsons, Simon; Sadler, Peter J. Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes Dalton Transactions, 2009, 2315-2325 |
2238452 | CIF HKL Paper | C14 H22 Cl2 Co N2 O4 | P b c n | 12.8911; 8.0049; 16.8757 90; 90; 90 | 1741.44 | Zeghouan, Ouahida; Guenifa, Fatiha; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride Acta Crystallographica Section E, 2013, 69, m439-m440 |
7061225 | CIF | C9 H6 Cl N S | P b c n | 12.5438; 14.9504; 9.298 90; 90; 90 | 1743.7 | Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry, 2022, 46, 3602-3615 |
2220567 | CIF HKL Paper | C18 H18 N4 O6 Zn | P b c n | 7.767; 16.045; 14.006 90; 90; 90 | 1745.4 | Wei, Yu-Feng; Li, Zhong-Shu; Zhang, Huai-Hong; Wang, Yi-Hong Aquabis(2-methyl-4-oxopyrido[1,2-<i>a</i>]pyrimidin-9-olato)zinc(II) monohydrate Acta Crystallographica Section E, 2009, 65, m91 |
2227472 | CIF HKL Paper | C14 H18 Mn N4 O8 | P b c n | 23.374; 10.1929; 7.3336 90; 90; 90 | 1747.2 | Esmhosseini, Majid; Maleki, Shahrzad Bis[(2-aminophenyl)methanol-κ^2^<i>O</i>,<i>N</i>]bis(nitrato-κ<i>O</i>)manganese(II) Acta Crystallographica Section E, 2010, 66, m1052 |
2108047 | CIF | Er10 O21 W2 | P b c n | 15.8221; 10.4814; 10.5407 90; 90; 90 | 1748 | Bevan, D. J. M.; Drennan, J.; Rossell, H. J. Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21 Acta Crystallographica, Section B, 1982, 38, 2991-2997 |
2018233 | CIF HKL Paper | C14 H18 Cl2 N2 S2 | P b c n | 13.6599; 8.5928; 14.8979 90; 90; 90 | 1748.7 | Lennartson, Anders; McKenzie, Christine J. 1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt Acta Crystallographica Section C, 2011, 67, o354-o358 |
7243161 | CIF | C8 H2 N18 O8 | P b c n | 17.283; 7.552; 13.411 90; 90; 90 | 1750.4 | Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment RSC Advances, 2021, 11, 24013-24021 |
2237608 | CIF HKL Paper | C12 H18 N4 O8 S3 | P b c n | 9.6543; 9.7591; 18.579 90; 90; 90 | 1750.5 | Ravikumar, B.; Pandiarajan, S.; Athimoolam, S. Bis(4-sulfamoylanilinium) sulfate Acta Crystallographica Section E, 2013, 69, o596 |
2227621 | CIF HKL Paper | C14 H18 N4 O8 Zn | P b c n | 23.386; 10.193; 7.3442 90; 90; 90 | 1750.7 | Esmhosseini, Majid Bis[(2-aminophenyl)methanol-κ^2^<i>N</i>,<i>O</i>]bis(nitrato-κ<i>O</i>)zinc(II) Acta Crystallographica Section E, 2010, 66, m1057 |
4302008 | CIF | C12 H16 Cl Eu N2 O8 | P b c n | 8.882; 19.625; 10.048 90; 90; 90 | 1751.5 | Wentong Chen; Shunichi Fukuzumi Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes Inorganic Chemistry, 2009, 48, 3800-3807 |
7238344 | CIF | C16 H8 Co3 N2 O14 | P b c n | 15.9192; 5.9225; 18.5992 90; 90; 90 | 1753.56 | Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties CrystEngComm, 2011, 13, 2699 |
7058199 | CIF | C10.5 H8 Cl O | P b c n | 11.1071; 8.2385; 19.1755 90; 90; 90 | 1754.67 | Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents New Journal of Chemistry, 2019, 43, 4669 |
4302007 | CIF | C12 H16 Cl N2 O8 Sm | P b c n | 8.892; 19.643; 10.076 90; 90; 90 | 1759.9 | Wentong Chen; Shunichi Fukuzumi Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes Inorganic Chemistry, 2009, 48, 3800-3807 |
2015637 | CIF HKL Paper | Ca7.96 Cu0.04 Ge5 O18 | P b c n | 5.2436; 11.6079; 28.9238 90; 90; 90 | 1760.51 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg Ca~7.96~Cu~0.04~Ge~5~O~18~: a new calcium germanate with GeO~4~ and Ge~3~O~10~ units Acta Crystallographica Section C, 2006, 62, i94-i96 |
2224115 | CIF HKL Paper | C14 H12 Br2 O6 Sr | P b c n | 18.74; 11.669; 8.0529 90; 90; 90 | 1761 | Zhang, Bi-Song <i>catena</i>-Poly[[diaquastrontium]-bis(μ-2-bromobenzoato)-κ^2^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'] Acta Crystallographica Section E, 2009, 65, m1500 |
2219202 | CIF HKL Paper | C6 H10 N O3 P | P b c n | 31.122; 7.1249; 7.9441 90; 90; 90 | 1761.5 | Lin, Zhen; Lei, Xiu-Qing; Bai, Sheng-Di; Ng, Seik Weng Ammonium benzenephosphonate Acta Crystallographica Section E, 2008, 64, o1607 |
7005997 | CIF | C7 H5 Dy N O5 | P b c n | 7.4196; 19.2216; 12.3604 90; 90; 90 | 1762.8 | Cheng, Jian-Wen; Zheng, Shou-Tian; Yang, Guo-Yu Diversity of crystal structure with different lanthanide ions involving in situ oxidation-hydrolysis reaction. Dalton transactions (Cambridge, England : 2003), 2007, 4059-4066 |
8100701 | CIF | C17 H10 F6 O2 S2 | P b c n | 12.182; 8.7063; 16.622 90; 90; 90 | 1763 | Pu, Shou-Zhi; Sun, Fan; Yuan, Peng; Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Chan, Shek-Kiu Crystal structure of 1,2-bis(2-methyl-5-formyl-thien-3-yl) perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(CHO)~2~, a photochromic diarylethene Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 415-416 |
4104716 | CIF | Na5 Sn9.72 Zn2.28 | P b c n | 12.7717; 10.8042; 12.7774 90; 90; 90 | 1763.13 | Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure Journal of the American Chemical Society, 2009, 131, 10246-10252 |
2004695 | CIF Paper | C6 H16 N10 Ni O8 S2 | P b c n | 15.683; 8.888; 12.653 90; 90; 90 | 1763.7 | Sen, A. K.; Dubey, S. N.; Squattrito, P. J. Diaquabis(4-amino-3-methyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)nickel(II) Nitrate: a Sulfur‒Nitrogen Chelate Acta Crystallographica Section C, 1996, 52, 865-868 |
2230184 | CIF HKL Paper | C7 H10 Cl2 O2 | P b c n | 21.9202; 9.9343; 8.1005 90; 90; 90 | 1763.98 | Çetinkaya, Yasin; Menzek, Abdullah; Hökelek, Tuncer (1<i>RS</i>,2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,7<i>RS</i>)-2,5-Dichloro-8-oxabicyclo[5.1.0]octan-3-ol Acta Crystallographica Section E, 2011, 67, o1145 |
2216104 | CIF HKL Paper | C20 H24 N2 O2 | P b c n | 18.9118; 6.937; 13.4509 90; 90; 90 | 1764.64 | G. Chakkaravarthi; A. Anthonysamy; S. Balasubramanian; V. Manivannan 4,4'-Dimethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenol Acta Crystallographica Section E, 2007, 63, o4475-o4475 |
4311900 | CIF | C4 H10 Cl2 O3.5 V | P b c n | 13.771; 13.441; 9.545 90; 90; 90 | 1766.7 | Trevor W. Hayton; Brian O. Patrick; Peter Legzdins New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride Inorganic Chemistry, 2004, 43, 7227-7233 |
7703351 | CIF | Ho10 Mo2 O21 | P b c n | 15.8751; 10.53178; 10.5672 90; 90; 90 | 1766.76 | Shlyakhtina, A. V.; Avdeev, M.; Lyskov, N. V.; Abrantes, J. C. C.; Gomes, E.; Denisova, K. N.; Kolbanev, I. V.; Chernyak, S. A.; Volkova, O. S.; Vasiliev, A. N. Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy, Ho) systems. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2833-2842 |
2108048 | CIF | O21 W2 Y10 | P b c n | 15.8761; 10.5232; 10.5778 90; 90; 90 | 1767.2 | Bevan, D. J. M.; Drennan, J.; Rossell, H. J. Structure determination of the fluorite-related superstructure phases Er10W2O21 and Y10W2O21 Acta Crystallographica, Section B, 1982, 38, 2991-2997 |
4504338 | CIF | C8.5 H7 N3 O2 Zn | P b c n | 9.85; 8.976; 19.99 90; 90; 90 | 1767.4 | Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties Crystal Growth & Design, 2007, 7, 2009 |
2204131 | CIF HKL Paper | C20 H24 Br2 | P b c n | 13.53; 10.987; 11.916 90; 90; 90 | 1771.4 | Hemamala Karunadasa; Christina Leggett; Shaun Wong 2,2'-Dibromo-3,3',4,4',5,5',6,6'-octamethyl-1,1'-biphenyl Acta Crystallographica Section E, 2004, 60, o1499-o1500 |
7029039 | CIF | C20 H20 N2 S2 | P b c n | 8.4685; 12.1683; 17.2063 90; 90; 90 | 1773.06 | Acosta-Ramirez, Alberto; Cross, Edward D.; McDonald, Robert; Bierenstiel, Matthias Binuclear ruthenium η(6)-arene complexes with tetradentate N,S-ligands containing the ortho-aminothiophenol motif. Dalton transactions (Cambridge, England : 2003), 2014, 43, 3104-3113 |
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 |
7055976 | CIF | C10 H16 Br2 Cl3 Fe N4 O | P b c n | 23.654; 8.738; 8.595 90; 90; 90 | 1776.5 | Govor, Evgen V.; Sanakis, Yiannis; Raptis, Raphael G. Synthesis of pyrazole (hemi)aminals via the cleavage of saturated aliphatic ether C‒O bonds in the presence of ferric halides New J. Chem., 2017, 41, 2220 |
7713760 | CIF | Al4 B14 Cs4 H4 K2 O32 | P b c n | 12.0255; 14.8843; 9.927 90; 90; 90 | 1776.8 | Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu Three new aluminoborates: From 1D tube to 3D framework Dalton Transactions, 2023 |
8104166 | CIF | Cl4 H7 O3.5 Pt | P b c n | 6.1317; 11.968; 24.231 90; 90; 90 | 1778.17 | Rau, F.; Klement, U.; Range, K.J. Crystal structure of fac-triaquatrichloroplatinum(IV)chloride hemihydrate, (Pt (H2 O)3 Cl3) Cl (H2 O)0.5 Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 605-605 |
7214460 | CIF | C7 H5 Eu0.44 N O5 Y0.56 | P b c n | 7.4519; 19.2623; 12.3897 90; 90; 90 | 1778.4 | Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer CrystEngComm, 2014, 16, 5681 |
2011870 | CIF Paper | C20 H22 N2 O2 S | P b c n | 18.9551; 11.4905; 8.1745 90; 90; 90 | 1780.44 | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D. A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide Acta Crystallographica Section C, 2001, 57, 431-432 |
7047322 | CIF | C20 H30 F Sc | P b c n | 11.3988; 14.335; 10.8986 90; 90; 90 | 1780.85 | Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P. Solid-state <sup>45</sup>Sc NMR studies of Cp*<sub>2</sub>Sc-X and Cp*<sub>2</sub>ScX(THF). Dalton transactions (Cambridge, England : 2003), 2018, 47, 13063-13071 |
7006005 | CIF | C7 H5 N O5 Tb | P b c n | 7.4556; 19.274; 12.401 90; 90; 90 | 1782 | Cheng, Jian-Wen; Zheng, Shou-Tian; Yang, Guo-Yu Diversity of crystal structure with different lanthanide ions involving in situ oxidation-hydrolysis reaction. Dalton transactions (Cambridge, England : 2003), 2007, 4059-4066 |
2233672 | CIF HKL Paper | C12 H16 Cl N2 Nd O8 | P b c n | 8.9223; 19.684; 10.151 90; 90; 90 | 1782.8 | Xue, Jun-Hui; Hua, Xiao-Hui; Li, Chun-Ping; Xu, Yi-Zhuang; Wu, Jin-Guang <i>catena</i>-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride] Acta Crystallographica Section E, 2012, 68, m170-m171 |
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 |
7217857 | CIF | C8 H17 N O2 | P b c n | 17.382; 10.705; 9.608 90; 90; 90 | 1787.8 | Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø. Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids CrystEngComm, 2014, 16, 9631 |
7714243 | CIF | C16 H22 Co N6 O4 | P b c n | 13.35; 8.745; 15.324 90; 90; 90 | 1789 | C S, Akshaya Keerthi; Das, Sandip; kulbir, Kulbir; Bhardwaj, Prabhakar; Sk, Md Palashuddin; Kumar, Pankaj Mechanistic Insights of Nitric Oxide Oxygenation (NOO) Reactions of {CrNO}5 & {CoNO}8 Dalton Transactions, 2023 |
4074897 | CIF | C16 H28 N4 O2 Si | P b c n | 13.576; 8.0012; 16.4807 90; 90; 90 | 1790.2 | Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution Organometallics, 2006, 25, 1252-1258 |
2217159 | CIF HKL Paper | C12 H16 Cl N2 O8 Sm | P b c n | 8.9713; 19.6698; 10.1459 90; 90; 90 | 1790.38 | Wu, Ke-Jun; Cai, Li-Zhen; Xu, Gang; Zhou, Guo-Wei; Guo, Guo-Cong <i>catena</i>-Poly[[[tetraaquasamarium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride] Acta Crystallographica Section E, 2008, 64, m56-m56 |
7154826 | CIF | C8 H12 F4 O | P b c n | 18.859; 10.647; 8.927 90; 90; 90 | 1792 | Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes. Organic & biomolecular chemistry, 2016, 14, 1117-1123 |
7061229 | CIF | C8 H3 Br2 N S | P b c n | 12.4146; 14.9366; 9.6752 90; 90; 90 | 1794.1 | Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry, 2022, 46, 3602-3615 |
7121714 | CIF | C14 H12 Cu3 O12 P2 | P b c n | 22.65; 8.8845; 8.9245 90; 90; 90 | 1795.9 | Wang, Peng-Fei; Bao, Song-Song; Huang, Xin-Da; Akutagawa, T.; Zheng, Li-Min Temperature controlled formation of polar copper phosphonates showing large dielectric anisotropy and a dehydration-induced switch from ferromagnetic to antiferromagnetic interactions. Chemical communications (Cambridge, England), 2018, 54, 6276-6279 |
2206167 | CIF HKL Paper | C22 H22 O2 | P b c n | 18.476; 11.494; 8.4632 90; 90; 90 | 1797.3 | Guo-Dong Yin; Zhi-Guo Wang; An-Xin Wu 1,2-Dimethyl-4,5-bis(phenoxymethyl)benzene Acta Crystallographica Section E, 2005, 61, o2148-o2149 |
4129895 | CIF | C16 H2 Br2 F10 Te | P b c n | 18.1548; 10.5369; 9.3957 90; 90; 90 | 1797.35 | Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S. A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes. Journal of the American Chemical Society, 2016, 138, 2678-2689 |
2206100 | CIF HKL Paper | C24 H18 | P b c n | 11.735; 12.964; 11.82 90; 90; 90 | 1798.2 | Nengfang She; Huizhen Guo; Yitao Li; Anxin Wu 1,2-Dimethyl-4,5-bis(phenylethynyl)benzene Acta Crystallographica Section E, 2005, 61, o1790-o1792 |
4031913 | CIF | C17 H28 S4 | P b c n | 5.9887; 10.5588; 28.4505 90; 90; 90 | 1799.02 | Wessig, P.; Gerngroß, M; Freyse, D.; Bruhns, P.; Przezdziak, M.; Schilde, U.; Kelling, A. Molecular Rods Based on Oligo-spiro-thioketals. The Journal of organic chemistry, 2016, 81, 1125-1136 |
2012790 | CIF HKL Paper | C6 H15 Be F4 N2 O0.5 | P b c n | 19.523; 9.2726; 9.939 90; 90; 90 | 1799.2 | Gerrard, Lee A.; Weller, Mark T. Dabconium orthofluoroberyllate hemihydrate Acta Crystallographica Section C, 2002, 58, m407-m408 |
2014465 | CIF Paper | C5 H6 Cd N2 O6 | P b c n | 10.328; 13.2177; 13.1813 90; 90; 90 | 1799.4 | Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang <i>catena</i>-Poly[[diaquacadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^4^,<i>N</i>^3^] Acta Crystallographica Section C, 2004, 60, m590-m591 |
2210146 | CIF HKL Paper | C8 H32 Cl2 N4 Ni O4 | P b c n | 15.005; 9.591; 12.505 90; 90; 90 | 1799.6 | Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei Diaqua(ethylenediamine)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)nickel(II) dichloride dihydrate Acta Crystallographica Section E, 2006, 62, m2287-m2289 |
7239579 | CIF | C14 H18 N8 O6 Zn | P b c n | 9.1313; 8.1896; 24.073 90; 90; 90 | 1800.2 | Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He In vitro controlled release of theophylline from metal‒drug complexes Journal of Materials Chemistry B, 2013, 1, 3879 |
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 |
4126716 | CIF | C26 H34 O2 | P b c n | 10.3572; 13.5376; 12.8603 90; 90; 90 | 1803.2 | Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W.; Schreiner, Peter R. Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers. Journal of the American Chemical Society, 2017 |
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 |
4020885 | CIF | C11 H16 O | P b c n | 21.31; 9.721; 8.755 89; 89; 90 | 1813.4 | Naoki Kise Theoretical Study of Electroreductive Intramolecular Coupling of Nonconjugated Olefinic and Aromatic Ketones Journal of Organic Chemistry, 2004, 69, 2147-2152 |
7158011 | CIF | C23 H26 N2 | P b c n | 14.1551; 9.5932; 13.369 90; 90; 90 | 1815.41 | Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor. Organic & biomolecular chemistry, 2021, 19, 4076-4081 |
2000922 | CIF Paper | C21 H13 Br2 N3 | P b c n | 7.366; 12.006; 20.601 90; 90; 90 | 1821.9 | Constable, E. C.; Khan, F. K.; Marquez, V. E.; Raithby, P. R. 6,6''-Dibromo-4'-phenyl-2,2':6',2''-terpyridine Acta Crystallographica Section C, 1992, 48, 932-934 |
4022358 | CIF | C24 H10 N O2 | P b c n | 12.2443; 12.454; 11.9541 90; 90; 90 | 1822.9 | Jason E. Field; Thomas J. Hill; D. Venkataraman Bridged Triarylamines: A New Class of Heterohelicenes Journal of Organic Chemistry, 2003, 68, 6071-6078 |
2220294 | CIF HKL Paper | C18 H16 Cu N2 O8 | P b c n | 8.2003; 16.234; 13.708 90; 90; 90 | 1824.9 | Zhang, Hong-Kun; Du, Yu-Hong; Jiang, Tao; Li, Bai-Yan; Hou, Guang-Feng Poly[bis(μ-2,6-dimethylpyridinium-3,5-dicarboxylato-<i>{κ</i>}^2^<i>O</i>^3^:<i>O</i>^5^)copper(II)] Acta Crystallographica Section E, 2008, 64, m1510 |
7052604 | CIF | C15 H23 Br2 N2 O3.5 | P b c n | 9.339; 15.689; 12.461 90; 90; 90 | 1826 | Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests New Journal of Chemistry, 2011, 35, 1088 |
4509784 | CIF | C8 H20 Cu I2 N6 O | P b c n | 13.2089; 16.6608; 8.2977 90; 90; 90 | 1826.1 | Tzeng, Biing-Chiau; Chang, Tsung-Yi Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions Crystal Growth & Design, 2009, 9, 5343 |
2105210 | CIF Paper | C8 H12 Br N O | P b c n | 20.143; 10.9691; 8.2747 90; 90; 90 | 1828.3 | Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B, 2012, 68, 453-464 |
4511700 | CIF | C12 H14 Cd2 Cl4 N2 O2 | P b c n | 9.5274; 7.1161; 26.9956 90; 90; 90 | 1830.25 | Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks Crystal Growth & Design, 2014, 14, 4124 |
2235499 | CIF HKL Paper | C12 H16 Cl La N2 O8 | P b c n | 8.987; 19.769; 10.305 90; 90; 90 | 1830.8 | Zhao, Jin-He <i>catena</i>-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride] Acta Crystallographica Section E, 2012, 68, m972 |
8104880 | CIF | C9 H13 N O | P b c n | 29.554; 7.493; 8.28 90; 90; 90 | 1833.6 | Manana, Pholani; Hosten, Eric C.; Betz, Richard Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 51-53 |
7056932 | CIF | C13 H8 Ag F3 N8 O3 S | P b c n | 11.5086; 13.443; 11.8588 90; 90; 90 | 1834.68 | Jääskeläinen, Sirpa; Appiah, Nana Sakyibea; Koshevoy, Igor; Hirva, Pipsa Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination New Journal of Chemistry, 2018, 42, 3363 |
2219338 | CIF HKL Paper | C20 H16 N4 O5 Zn | P b c n | 13.931; 9.1685; 14.364 90; 90; 90 | 1834.7 | Zhang, Shi Guo; Hou, Chao Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-κ^2^<i>N</i>,<i>N</i>')zinc(II) Acta Crystallographica Section E, 2008, 64, m1131 |
2239922 | CIF HKL Paper | C8 H8 N4 S | P b c n | 18.537; 5.1997; 19.059 90; 90; 90 | 1837 | El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of 4-allylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine Acta Crystallographica Section E, 2014, 70, o1038 |
7003794 | CIF | C17 H7 B Cl2 F10 N2 | P b c n | 21.996; 7.2823; 11.47 90; 90; 90 | 1837.3 | Vidovic, Dragoslav; Reeske, Gregor; Findlater, Michael; Cowley, Alan H. Synthesis and structures of boron dihalides supported by the C6F5-substituted β-diketiminate ligand [HC(CMe)2(NC6F5)2]− Dalton Transactions, 2008, 2293-2297 |
4504124 | CIF | C6 H20 N2 O12 P4 Zn3 | P b c n | 10.0172; 20.938; 8.7611 90; 90; 90 | 1837.6 | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks Crystal Growth & Design, 2007, 7, 1134 |
2021514 | CIF HKL Paper | C20 H20 N2 O4 | P b c n | 20.061; 7.8464; 11.6895 90; 90; 90 | 1840 | Powers, Kyle A.; Geiger, David K. Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid Acta Crystallographica Section C, 2019, 75 |
4103574 | CIF | C16 H17 Cl N12 O2 | P b c n | 6.8414; 25.756; 10.444 90; 90; 90 | 1840.3 | Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688 |
4328343 | CIF | C12 H20 B2 F4 Fe N6 O4 | P b c n | 15.448; 8.5409; 13.949 90; 90; 90 | 1840.4 | Michael J. Rose; Jay R. Winkler; Harry B. Gray Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC) Inorganic Chemistry, 2012, 51, 1980-1982 |
8102978 | CIF | Al Cl4 Hg2 Sb | P b c n | 11.9771; 8.7826; 17.5237 90; 90; 90 | 1843.32 | Schlirf, Jens; Deiseroth, Hans-Jörg Crystal structures of α-and β-antimony dimercury tetrachloroaluminate, SbHg~2~AlCl~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 367-368 |
4104715 | CIF | Hg2.39 Na5 Sn9.61 | P b c n | 12.9583; 10.9835; 12.9596 90; 90; 90 | 1844.51 | Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure Journal of the American Chemical Society, 2009, 131, 10246-10252 |
7116919 | CIF | C28 H17 O | P b c n | 11.6165; 12.7592; 12.4644 90; 90; 90 | 1847.44 | Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada 9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals Chem.Commun., 2015, 51, 6734 |
4026485 | CIF | C8 H7 Br N2 O3 | P b c n | 6.874; 15.5103; 17.3312 90; 90; 90 | 1847.81 | Emmanuelle Dubost; Christine Fossey; Thomas Cailly; Sylvain Rault; Frederic Fabis Selective ortho-Bromination of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application to the Synthesis of Substituted 2-Bromobenzaldehydes Journal of Organic Chemistry, 2011, 76, 6414-6420 |
2243006 | CIF HKL Paper | C22 H8 F8 N2 O2 | P b c n | 18.8516; 10.6512; 9.2196 90; 90; 90 | 1851.22 | Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T. Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines Acta Crystallographica Section E, 2019, 75, 1102-1107 |
7051091 | CIF | C12 H9 N O | P b c n | 23.255; 11.484; 6.936 90; 90; 90 | 1852 | Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H. Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds New Journal of Chemistry, 2001, 25, 391 |
4507002 | CIF | C19 H26 N2 O4 | P b c n | 6.0525; 11.1914; 27.389 90; 90; 90 | 1855.2 | Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts Crystal Growth & Design, 2012, 12, 5864 |
4033878 | CIF | C28 H14 O4 | P b c n | 14.3827; 9.2545; 13.9386 90; 90; 90 | 1855.3 | Mukhopadhyay, Arindam; Jana, Kanyashree; Hossen, Tousif; Sahu, Kalyanasis; Moorthy, Jarugu Narasimha Coumarin-Annelated Regioisomeric Heptahelicenes: Influence of Helicity on Excited-State Properties and Chiroptical Properties. The Journal of organic chemistry, 2019, 84, 10658-10668 |
7201406 | CIF | C2 H Br Cl F O2 | P b c n | 15.274; 5.8537; 20.7562 90; 90; 90 | 1855.8 | Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid CrystEngComm, 2009, 11, 2668 |
2020865 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | P b c n | 16.9587; 7.8858; 13.8774 90; 90; 90 | 1855.87 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
7201881 | CIF | C23 H16 N4 O4 | P b c n | 7.883; 9.292; 25.355 90; 90; 90 | 1857.2 | Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts CrystEngComm, 2008, 10, 839 |
7235221 | CIF | C28 H17 N O2 | P b c n | 11.97202; 12.277; 12.64035 90; 90; 90 | 1857.88 | Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water CrystEngComm, 2020, 22, 497-505 |
2005650 | CIF Paper | C22 H18 N2 Ni S2 | P b c n | 12.578; 12.848; 11.505 90; 90; 90 | 1859.2 | Henderson, R. K.; Bouwman, E.; Reedijk, J.; Powell, A. K. [<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-dimethyl-4,5-phenylenediaminato]nickel(II), Ni(tsaldimph) Acta Crystallographica Section C, 1996, 52, 2696-2698 |
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 |
8101502 | CIF | C6 H9 K N O4.5 S | P b c n | 23.001; 7.763; 10.424 90; 90; 90 | 1861.3 | Schreuer, Jürgen Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 · 1.5H2O Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 287-288 |
4347954 | CIF | C16 H20 Cl2 N4 O2 U | P b c n | 9.434; 14.676; 13.464 90; 90; 90 | 1864.1 | Pedrick, Elizabeth A.; Schultz, Jason W.; Wu, Guang; Mirica, Liviu M.; Hayton, Trevor W. Perturbation of the O-U-O Angle in Uranyl by Coordination to a 12-Membered Macrocycle. Inorganic chemistry, 2016, 55, 5693-5701 |
2009187 | CIF Paper | C8 H7 N O7 | P b c n | 28.194; 9.5793; 6.905 90; 90; 90 | 1864.89 | Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun 5-Nitroisophthalic acid hydrate Acta Crystallographica Section C, 1999, 55, 1845-1847 |
7116611 | CIF | C24 H24 Zr | P b c n | 8.3971; 12.4057; 17.927 90; 90; 90 | 1867.49 | Thapa, Surendra; Basnet, Prakash; Gurung, Santosh K.; Giri, Ramesh Copper-catalysed cross-coupling of arylzirconium reagents with aryl and heteroaryl iodides Chemical Communications (Cambridge, United Kingdom), 2015, 51, 4009-4012 |
2235638 | CIF HKL Paper | C18 H16 Cl4 N2 O2 | P b c n | 15.871; 12.505; 9.4133 90; 90; 90 | 1868.2 | Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz 4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol Acta Crystallographica Section E, 2012, 68, o2244-o2245 |
7229250 | CIF | C7 H17 N3 O14 P4 Zn3 | P b c n | 18.1736; 9.9376; 10.3543 90; 90; 90 | 1870.01 | Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings CrystEngComm, 2017 |
2019824 | CIF HKL Paper | C5 H8 N4 O5 S | P b c n | 28.0866; 9.0052; 7.4023 90; 90; 90 | 1872.23 | Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand Crystal structure of 2-amino-5-nitropyridinium sulfamate Acta Crystallographica Section E Crystallographic Communications, 2015, 71, 231 |
7713759 | CIF | Al4 B14 Cs6 H4 O32 | P b c n | 12.2648; 15.2916; 9.99 90; 90; 90 | 1873.6 | Chen, Juan; Chen, Chong-An; Zhang, Peng-Yun; Yang, Guo-Yu Three new aluminoborates: From 1D tube to 3D framework Dalton Transactions, 2023 |
2231091 | CIF HKL Paper | C14 H30 F6 N2 O4 Si | P b c n | 10.05; 23.218; 8.031 90; 90; 90 | 1874 | Sen Gupta, Nalinava; Wragg, David S.; Tilset, Mats; Omtvedt, Jon Petter 4,7,13,18-Tetraoxa-1,10-diazoniabicyclo[8.5.5]icosane hexafluoridosilicate Acta Crystallographica Section E, 2011, 67, o1958-o1959 |
4336763 | CIF | C15 H15 Br3 In N3 | P b c n | 9.3125; 15.0076; 13.4349 90; 90; 90 | 1877.64 | Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers Inorganic Chemistry, 2013, 52, 13207-13215 |
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 |
7111369 | CIF | C24 H22 N2 O3 | P b c n | 5.4647; 7.9338; 43.4412 90; 90; 90 | 1883.43 | Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K. Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series Chemical Communications, 2004, 2528-2529 |
4332038 | CIF | C18 H12 Mn N12 | P b c n | 17.911; 15.804; 6.6538 90; 90; 90 | 1883.5 | Das, Anamika; Rosair, Georgina M.; El Fallah, M. Salah; Ribas, Joan; Mitra, Samiran Weak Metamagnetic-like 1D Manganese(II) Complex with a Double μ1,1-Azido Bridge: A Structure and Magnetic Study Inorganic Chemistry, 2006, 45, 3301-3306 |
7013732 | CIF | C24 H21 N3 | P b c n | 8.217; 13.359; 17.167 90; 90; 90 | 1884.4 | Leslie, Wendy; Batsanov, Andrei S.; Howard, Judith A. K.; Williams, J. A. Gareth Cross-couplings in the elaboration of luminescent bis-terpyridyl iridium complexes: the effect of extended or inhibited conjugation on emission. Dalton transactions (Cambridge, England : 2003), 2004, 623-631 |
7103736 | CIF | C21 H27 B N2 | P b c n | 16.068; 7.2471; 16.1949 90; 90; 90 | 1885.84 | J.A.C.Clyburne; A.J.Jennings; H.Jong; I.D.McKenzie; T.Ramnial Chemical communications (Cambridge, England), 2003 |
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 |
4312484 | CIF | C14 H16 Ag2 N4 O6 S2 | P b c n | 10.465; 9.071; 19.92 90; 90; 90 | 1891 | Xian-He Bu; Ya-Bo Xie; Jian-Rong Li; Ruo-Hua Zhang Adjusting the Frameworks of Silver(I) Complexes with New Pyridyl Thioethers by Varying the Chain Lengths of Ligand Spacers, Solvents, and Counteranions Inorganic Chemistry, 2003, 42, 7422-7430 |
7045853 | CIF | C7 Ag F5 S2 | P b c n | 30.2479; 10.4435; 5.98706 90; 90; 90 | 1891.28 | Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Silver(i) dithiocarboxylate complexes - clustering and aggregation. Dalton transactions (Cambridge, England : 2003), 2018, 47, 6036-6040 |
4130092 | CIF | C9 H8 F3 N O2 | P b c n | 24.3659; 10.1608; 7.6406 90; 90; 90 | 1891.64 | Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S. Mechanogeneration of Acid from Oxime Sulfonates. Journal of the American Chemical Society, 2016, 138, 2540-2543 |
7116354 | CIF | C22 H20 N2 O2 | P b c n | 15.715; 12.1408; 9.9342 90; 90; 90 | 1895.4 | Digambar Balaji Shinde; Sharath Kandambeth; Pradip Pachfule; Raya Rahul Kumar; Rahul Banerjee Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores Chem.Commun., 2015, 51, 310 |
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 |
1571377 | CIF | C18 H26 Cu N4 O4 | P b c n | 15.6899; 10.7161; 11.3062 90; 90; 90 | 1900.96 | Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals, 2024, 14, 318 |
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 |
2217177 | CIF HKL Paper | C16 H16 Br2 O8 | P b c n | 20.639; 10.15; 9.088 90; 90; 90 | 1903.8 | Guang-Liang Song; Shan Liu; Shui-Ping Deng; Yuan-Yuan Liu; Hong-Jun Zhu (4,6-Dibromo-<i>m</i>-phenylenedimethylidyne) tetraacetate Acta Crystallographica Section E, 2008, 64, o153-o153 |
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 |
7224067 | CIF | C20 H16 N6 O2 | P b c n | 18.537; 10.3318; 9.9527 90; 90; 90 | 1906.1 | Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Rahul; Singh, Krishna Nand; Singh, Vinod Prasad A binuclear Cu(I) complex as novel catalyst towards direct synthesis of N‒2‒aryl‒substituted‒1,2,3‒triazoles from chalcones RSC Adv., 2016 |
2239327 | CIF HKL | C20 H22 O6 | P b c n | 21.805; 9.871; 8.8646 90; 90; 90 | 1908 | Shi, Huaduan; Qin, Haisha; Ma, Zhen Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate Acta Crystallographica Section E, 2014, 70, o552 |
4308332 | CIF | C24 H16 N4 Pt | P b c n | 17.316; 10.919; 10.0939 90; 90; 90 | 1908.5 | Nail M. Shavaleev; Gianluca Accorsi; Dalia Virgili; Zöe R. Bell; Theodore Lazarides; Giuseppe Calogero; Nicola Armaroli; Michael D. Ward Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III), Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and Pt(II)-Bipyrimidine Metal Centers Inorganic Chemistry, 2005, 44, 61-72 |
7045036 | CIF | C20 H16 Co N6 O2 | P b c n | 11.811; 9.2017; 17.5762 90; 90; 90 | 1910.2 | Sertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover, Jesús; Ruiz, Eliseo; Telfer, Shane G.; Alkaş, Adil; Harding, Phimphaka; Harding, David J. Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex. Dalton transactions (Cambridge, England : 2003), 2018, 47, 859-867 |
2220139 | CIF HKL Paper | C20 H24 N2 Ni O5 | P b c n | 12.8401; 19.6133; 7.5853 90; 90; 90 | 1910.3 | Xie, Hai {6,6'-Diethoxy-2,2'-[ethylenebis(nitrilomethylidyne)]diphenolato}nickel(II) monohydrate Acta Crystallographica Section E, 2008, 64, m1638 |
7120320 | CIF | C21 H27 N2 P | P b c n | 15.7801; 7.4805; 16.1842 90; 90; 90 | 1910.43 | Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds Chem. Commun., 2017 |
2209188 | CIF HKL Paper | C18 H22 O7 S2 | P b c n | 21.914; 5.6447; 15.4723 90; 90; 90 | 1913.9 | Andrey A. Yakovenko; Jose B. Gallegos; Robert D. Long; Tatiana V. Timofeeva; Mikhail Yu. Antipin An orthorhombic polymorph of 3-oxapentane-1,5-diyl bis(<i>p</i>-toluenesulfonate) Acta Crystallographica Section E, 2006, 62, o2484-o2486 |
4347500 | CIF | C16 H16 Fe N4 S4 | P b c n | 13.8034; 9.9319; 13.968 90; 90; 90 | 1914.9 | Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael Spin Crossover in Fe(II) Complexes with N4S2 Coordination. Inorganic chemistry, 2016, 55, 5904-5913 |
4503217 | CIF | C20 H18 Ag N3 O5 | P b c n | 14.638; 7.605; 17.2027 90; 90; 90 | 1915 | Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes Crystal Growth & Design, 2008, 8, 2721-2728 |
7239731 | CIF | C7 H8 N2 O3 P Zn | P b c n | 8.8182; 10.111; 21.493 90; 90; 90 | 1916.33 | Sun, Yayong; Wang, Fupeng; Fu, Yunlei; Chen, Chao; Wang, Xuanyi; Xiao, Zhenyu; Liu, Yanru; Xu, Jixiang; Li, Bin; Wang, Lei Two new inorganic‒organic hybrid zinc phosphites and their derived ZnO/ZnS heterostructure for efficient photocatalytic hydrogen production RSC Advances, 2020, 10, 812-817 |
7711292 | CIF | C14 H28 Al Cl2 Ir P2 | P b c n | 13.6878; 11.8285; 11.8398 90; 90; 90 | 1916.94 | Paskaruk, Katarina; Emslie, David J. H.; Britten, James F. Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand Dalton Transactions, 2022 |
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 |
2022657 | CIF HKL Paper | C14 H32 Cl3 Fe N4 | P b c n | 9.2912; 11.9579; 17.267 90; 90; 90 | 1918.4 | DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C, 2022, 78, 507-514 |
7229248 | CIF | C7 H20 N2 O14 P4 Zn3 | P b c n | 18.117; 9.8448; 10.7798 90; 90; 90 | 1922.67 | Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings CrystEngComm, 2017 |
2019727 | CIF HKL Paper | C19 H15 N5 O6 Zn | P b c n | 6.7644; 18.5124; 15.3595 90; 90; 90 | 1923.4 | Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands Acta Crystallographica Section C, 2014, 70 |
2217848 | CIF HKL Paper | C8 H18 Cl N | P b c n | 14.5863; 13.2196; 9.9779 90; 90; 90 | 1923.99 | Dean, Pamela M.; Pringle, Jennifer M.; MacFarlane, Douglas R. 1-Methyl-1-propylpyrrolidinium chloride Acta Crystallographica Section E, 2008, 64, o637 |
7711289 | CIF | C14 H28 Al Cl2 P2 Rh | P b c n | 13.6821; 11.8577; 11.8639 90; 90; 90 | 1924.78 | Paskaruk, Katarina; Emslie, David J. H.; Britten, James F. Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand Dalton Transactions, 2022 |
2020870 | CIF HKL Paper | C14 H20 Cl4 Cu N2 | P b c n | 16.9411; 8.2218; 13.8212 90; 90; 90 | 1925.1 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
2212015 | CIF HKL Paper | C11 H11 N O3 | P b c n | 22.582; 12.222; 6.9793 90; 90; 90 | 1926.3 | Liu, Xiao-Gang; Chen, Tao 6-Amino-2-naphthoic acid monohydrate Acta Crystallographica Section E, 2007, 63, o597-o598 |
4322969 | CIF | C14 H20 Cl2 Co N2 O2 S2 | P b c n | 11.47; 11.39; 14.753 90; 90; 90 | 1927.4 | Jian Lu; Carolyn Yu; Tianyan Niu; Tasneem Paliwala; Gerardo Crisci; Fernando Somosa; Allan J. Jacobson One-Dimensional Coordination Polymers of Cobalt with 4,4'-Bipyridine: Syntheses and Structures Inorganic Chemistry, 1998, 37, 4637-4640 |
7120294 | CIF | C10 H28 B10 N4 | P b c n | 10.0069; 13.2066; 14.6031 90; 90; 90 | 1929.9 | Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D. Versatility and Remarkable Hypergolicity of Exo-6, Exo-9 Imidazole-Substituted Nido-Decaborane Chem. Commun., 2017 |
4125495 | CIF | C9 H10 N O4 S | P b c n | 11.1336; 15.7206; 11.0314 90; 90; 90 | 1930.8 | Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process. Journal of the American Chemical Society, 2017, 139, 1856-1862 |
7122025 | CIF | C12 H34.54 B2.63 I0.37 O3 Tb | P b c n | 9.1844; 14.3006; 14.7076 90; 90; 90 | 1931.73 | Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P. Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy. Chemical communications (Cambridge, England), 2018, 54, 9182-9185 |
7212227 | CIF | C15 H26 Cu N4 O5 | P b c n | 15.6709; 10.8951; 11.3147 90; 90; 90 | 1931.8 | Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties CrystEngComm, 2010, 12, 1217 |
2224971 | CIF HKL Paper | C8 H5 N2 Na O6 | P b c n | 27.8428; 10.452; 6.642 90; 90; 90 | 1932.9 | Danish, Muhammad; Saleem, Iram; Ahmad, Nazir; Raza, Abdul Rauf; Starosta, Wojciech; Leciejewicz, Janusz Poly[(μ~5~-2-methyl-3,5-dinitrobenzoato)sodium] Acta Crystallographica Section E, 2010, 66, m137 |
2236093 | CIF HKL Paper | C6 H18 Cl6 Nb2 S1.7 Se1.3 | P b c n | 13.3314; 13.5952; 10.6649 90; 90; 90 | 1932.9 | Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira; Ng, Seik Weng Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κ<i>Se</i>)(dimethyl sulfide-κ<i>S</i>)(0.65/0.35)]niobium(III)}(<i>Nb</i>—<i>Nb</i>) Acta Crystallographica Section E, 2012, 68, m1166 |
2014543 | CIF HKL Paper | C9 H9 N5 O3 | P b c n | 9.6497; 12.1378; 16.5063 90; 90; 90 | 1933.3 | Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher <i>N</i>-(3-Methyl-4-oxo-3,4-dihydropteridin-2-yl)glycine: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(30) rings Acta Crystallographica Section C, 2004, 60, o795-o797 |
7703452 | CIF | C12 H36 B3 Dy O3 | P b c n | 9.2218; 14.4491; 14.5213 90; 90; 90 | 1934.92 | Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets. Dalton transactions (Cambridge, England : 2003), 2020, 49, 3222-3227 |
2016155 | CIF HKL Paper | C18 H18 Cl4 N2 O2 | P b c n | 10.36; 12.191; 15.332 90; 90; 90 | 1936.4 | Kubono, Koji; Yokoi, Kunihiko Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol Acta Crystallographica Section C, 2007, 63, o535-o537 |
8101503 | CIF | C6 H9 N O4.5 Rb S | P b c n | 23.271; 7.844; 10.635 90; 90; 90 | 1941.3 | Schreuer, Jürgen Crystal structure of rubidium sulfanilate sesquihydrate, RbH2NC6H4SO3 · 1.5H2O Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 289-290 |
4332893 | CIF | C20 H24 Cu N2 O5 | P b c n | 12.8; 19.804; 7.66 90; 90; 90 | 1941.7 | Nayak, Malabika; Koner, Rajesh; Lin, Hsin-Huang; Flörke, Ulrich; Wei, Ho-Hsiang; Mohanta, Sasankasekhar Syntheses, Structures, and Magnetic Properties of Mononuclear CuIIand Tetranuclear CuII3MII(M = Cu, Co, or Mn) Compounds Derived fromN,N‘-Ethylenebis(3-ethoxysalicylaldimine): Cocrystallization Due to Potential Encapsulation of Water Inorganic Chemistry, 2006, 45, 10764-10773 |
2241947 | CIF HKL Paper | C7 H11 F N O4 P | P b c n | 7.163; 9.1309; 29.694 90; 90; 90 | 1942.1 | Rayes, Ali; Dadi, Ahlem; Mahbouli Rhouma, Najla; Mezzadri, Francesco; Calestani, Gianluca Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC~6~H~4~CH~2~NH~3~]H~2~PO~4~ Acta Crystallographica Section E, 2016, 72, 1812-1815 |
7203747 | CIF | C11 H9 O S | P b c n | 19.056; 7.536; 13.524 90; 90; 90 | 1942.1 | Leriche, Philippe; Frère, Pierre; Roncali, Jean Structure‒reactivity relationships in bithiophenic precursors based on the 3-phenoxythiophene building block Journal of Materials Chemistry, 2005, 15, 3473 |
2221364 | CIF HKL Paper | C10 H7 N3 O3 | P b c n | 18.136; 7.3355; 14.5986 90; 90; 90 | 1942.15 | Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng 3-Nitrophenyl pyrimidin-2-yl ether Acta Crystallographica Section E, 2009, 65, o704 |
4347502 | CIF | C16 H16 Fe N4 S4 | P b c n | 13.857; 9.851; 14.252 90; 90; 90 | 1945.5 | Arroyave, Alejandra; Lennartson, Anders; Dragulescu-Andrasi, Alina; Pedersen, Kasper S.; Piligkos, Stergios; Stoian, Sebastian A.; Greer, Samuel M.; Pak, Chongin; Hietsoi, Oleksandr; Phan, Hoa; Hill, Stephen; McKenzie, Christine J.; Shatruk, Michael Spin Crossover in Fe(II) Complexes with N4S2 Coordination. Inorganic chemistry, 2016, 55, 5904-5913 |
7015799 | CIF | C19 H18 Cl2 N O2.5 Pd | P b c n | 15.7371; 16.6448; 7.4293 90; 90; 90 | 1946.04 | Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L. Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction. Dalton transactions (Cambridge, England : 2003), 2011, 40, 5316-5323 |
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 |
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 |
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 |
7237665 | CIF | C9 H4 N O6 Pb | P b c n | 4.1673; 25.707; 18.2223 90; 90; 90 | 1952.1 | Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J. A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media Journal of Materials Chemistry A, 2019, 7, 15432 |
4110605 | CIF | C26 H22 S | P b c n | 16.299; 7.285; 16.445 90; 90; 90 | 1952.6 | Soichi Sato; Kaoru Matsunaga; Ernst Horn; Naomichi Furukawa; Tatsuya Nabeshima Isolation and Molecular Structure of the Organo-persulfuranes [12-S-6(C6)] Journal of the American Chemical Society, 2006, 128, 6778-6779 |
7207826 | CIF | C18 H20 N6 Ni O2 S2 | P b c n | 19.7898; 8.36585; 11.79716 90; 90; 90 | 1953.12 | Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach CrystEngComm, 2012, 14, 3039 |
4125098 | CIF | C14 H32 N6 O5 | P b c n | 8.8452; 16.0629; 13.7551 90; 90; 90 | 1954.32 | Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J. Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling. Journal of the American Chemical Society, 2016, 138, 7939-7945 |
4328334 | CIF | C21 H27 Al N2 | P b c n | 21.528; 7.1419; 12.7174 90; 90; 90 | 1955.31 | Ying Yang; Haipu Li; Chen Wang; Herbert W. Roesky Studies of the Ligand Effect on the Synthesis of Dialuminoxanes by Various β-Diketiminato Ligands Inorganic Chemistry, 2012, 51, 2204-2211 |
2017394 | CIF HKL Paper | C12 H24 I3 O3 Yb | P b c n | 9.3507; 14.6003; 14.3335 90; 90; 90 | 1956.9 | Emge, Thomas J.; Kornienko, A.; Brennan, John G. <i>Trans</i> influence in a <i>mer</i>-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III) Acta Crystallographica Section C, 2009, 65, m422-m425 |
4330709 | CIF | C6 H22 N2 O16 Se4 V2 | P b c n | 14.5262; 10.6006; 12.716 90; 90; 90 | 1958.1 | Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks Inorganic Chemistry, 2012, 51, 11040-11048 |
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 |
7036609 | CIF | C22 H20 Fe N2 O4 | P b c n | 11.697; 15.864; 10.566 90; 90; 90 | 1960.6 | Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes. Dalton transactions (Cambridge, England : 2003), 2015, 44, 18065-18077 |
1558597 | CIF | C14 H20 Cl4 Co N2 | P b c n | 16.744; 8.832; 13.263 90; 90; 90 | 1961.4 | Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Werner, Per-Erik; Liptay, Gyorgy Pyridine-Type Complexes of Transition-Metal Halides. VI. Preparation and Characterization of 2,6- and 3,5-Dimethylpyridine Complexes of Cobalt(II) Halides; the Crystal Structure of Di(2,6-dimethylpyridinium) Tetrachlorocobaltate(II) and Dichlorotetrakis(3,5-dimethylpyridine)cobalt(II) Acta Chemica Scandinavica, 1994, 48, 951-959 |
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 |
7107868 | CIF | C24 H6 Cl4 N2 O4 | P b c n | 14.324; 7.1135; 19.269 90; 90; 90 | 1963.4 | Xinqiang Cao; Shuming Bao; Yi-Shi Wu; Qing Liao; Qiang Shi; Hongbing Fu; Jiannian Yao Self-assembly of twisted tetrachloroperylenediimide chromophores into two dimensional brick-stone aggregates: exciton dynamics and photoconductivity Chem.Commun., 2012, 48, 6402 |
2235639 | CIF HKL Paper | C18 H16 Br4 N2 O2 | P b c n | 15.9537; 12.8784; 9.5566 90; 90; 90 | 1963.5 | Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz 4,6-Dibromo-2-[(<i>E</i>)-(4-{[(<i>E</i>)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol Acta Crystallographica Section E, 2012, 68, o2270-o2271 |
7021249 | CIF | C14 H19 Co F5 O2 P2 | P b c n | 12.409; 13.286; 11.917 90; 90; 90 | 1965 | Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands. Dalton transactions (Cambridge, England : 2003), 2013, 42, 5740-5748 |
4021992 | CIF | C13 H10 N2 O | P b c n | 23.155; 11.9939; 7.0969 90; 90; 90 | 1970.9 | Maike V. Peters; Ragnar S. Stoll; Richard Goddard; Gernot Buth; Stefan Hecht On the Illusive Nature of o-Formylazobenzenes: Exploiting the Nucleophilicity of the Azo Group for Cyclization to Indazole Derivatives Journal of Organic Chemistry, 2006, 71, 7840-7845 |
7040244 | CIF | C22 H16 N4 O2 Sn2 | P b c n | 12.0878; 10.4438; 15.6612 90; 90; 90 | 1977.11 | Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14252-14264 |
2105775 | CIF Paper | C7 H11 Eu O8 | P b c n | 14.1085; 7.7825; 18.0083 90; 90; 90 | 1977.3 | Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology Acta Crystallographica Section B, 2014, 70, 19-27 |
4131453 | CIF | C28 H27 | P b c n | 9.9421; 18.521; 10.742 90; 90; 90 | 1978 | Kushida, Tomokatsu; Shirai, Shusuke; Ando, Naoki; Okamoto, Toshihiro; Ishii, Hiroyuki; Matsui, Hiroyuki; Yamagishi, Masakazu; Uemura, Takafumi; Tsurumi, Junto; Watanabe, Shun; Takeya, Jun; Yamaguchi, Shigehiro Boron-Stabilized Planar Neutral π-Radicals with Well-Balanced Ambipolar Charge-Transport Properties. Journal of the American Chemical Society, 2017, 139, 14336-14339 |
7038410 | CIF | C6 H20 I5 N2 Sb | P b c n | 14.64; 16.039; 8.43 90; 90; 90 | 1979 | Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5229-5233 |
7151252 | CIF | C24 H18 N6 O | P b c n | 13.111; 10.123; 14.928 90; 90; 90 | 1981.3 | Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance. Organic & biomolecular chemistry, 2006, 4, 3652-3663 |
2016494 | CIF HKL Paper | C22 H22 N2 O4 Zn | P b c n | 15.5576; 10.1598; 12.5487 90; 90; 90 | 1983.5 | Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S. Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine Acta Crystallographica Section C, 2008, 64, m140-m143 |
4031522 | CIF | Cs4 O17 U5 | P b c n | 18.776; 7.07; 14.958 90; 90; 90 | 1985.62 | van Egmond, A.B. Investigations on Cesium Uranates - V. The Crystal Structures of (Cs2 U O4), (Cs4 U5 O17), (Cs2 U7 O22) and (Cs2 U15 O46) Journal of Inorganic and Nuclear Chemistry, 1976, 38, 1649-1651 |
7202552 | CIF | C16 H12 Cd N14 | P b c n | 13.3982; 7.7207; 19.1997 90; 90; 90 | 1986.08 | Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system CrystEngComm, 2007, 9, 304 |
2022164 | CIF HKL | C16 H24 N2 S6 | P b c n | 12.2613; 9.9564; 16.2828 90; 90; 90 | 1987.8 | Assoumatine, Tokouré; Stoeckli-Evans, Helen The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexathiapyrazinophane regioisomers; 2,5,8,11,14,17-hexathia-[9.9](2,6,3,5)-pyrazinophane and 2,5,8,11,14,17-hexathia-[9.9](2,5,3,6)-pyrazinophane Acta Crystallographica Section E Crystallographic Communications, 2020, 76, 977 |
7231756 | CIF | C9 H18 O2 | P b c n | 50.25; 7.055; 5.609 90; 90; 90 | 1988 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
2221466 | CIF HKL Paper | C20 H24 N2 O5 Zn | P b c n | 12.6512; 19.986; 7.8708 90; 90; 90 | 1990.1 | Shen, Yong-Miao; Wang, Wei {6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}zinc(II) monohydrate Acta Crystallographica Section E, 2009, 65, m444 |
7025631 | CIF | C20 H24 Cl2 Ge N2 | P b c n | 17.174; 7.3558; 15.804 90; 90; 90 | 1996.5 | Jana, Anukul; Tavcar, Gasper; Roesky, Herbert W.; Schulzke, Carola Facile synthesis of dichlorosilane by metathesis reaction and dehydrogenation of dihydrogermane by a frustrated Lewis pair. Dalton transactions (Cambridge, England : 2003), 2010, 39, 6217-6220 |
4128272 | CIF | C12 H14 O2 | P b c n | 25.4036; 8.6525; 9.0953 90; 90; 90 | 1999.19 | Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence. Journal of the American Chemical Society, 2019, 141, 9885-9894 |
2017474 | CIF HKL Paper | C11 H12 N3 O1.5 | P b c n | 10.8346; 7.4952; 24.621 90; 90; 90 | 1999.4 | Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher 5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of <i>R</i>~10~^8^(34) rings Acta Crystallographica Section C, 2010, 66, o47-o49 |
7214690 | CIF | C23 H18 F6 O4 | P b c n | 11.1508; 7.3171; 24.5176 90; 90; 90 | 2000.4 | Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone CrystEngComm, 2012, 14, 8599 |
2016750 | CIF HKL Paper | C10 H10 I N | P b c n | 24.259; 11.469; 7.1937 90; 90; 90 | 2001.5 | Lemmerer, Andreas; Billing, David G.; Robinson, Janine M. Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide Acta Crystallographica Section C, 2008, 64, o481-o484 |
7221974 | CIF | C16 H18 Br2 Hg N4 O2 | P b c n | 12.5435; 9.656; 16.5414 90; 90; 90 | 2003.49 | Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der Hg(ii) supramolecular isomers: structural transformation and photoluminescence change CrystEngComm, 2015, 17, 7574 |
7010980 | CIF | C20 H28 B2 N4 | P b c n | 18.582; 6.952; 15.511 90; 90; 90 | 2003.7 | Weber, Lothar; Schnieder, Markus; Lönnecke, Peter Alkali metal reduction of 2-halogeno- and 2-thiolato-2,3-dihydro-1H-1,3,2-diazaboroles Journal of the Chemical Society, Dalton Transactions, 2001, 3459 |
7714933 | CIF | Ge0.67 Nb1.11 O4.56 Rb0.89 | P b c n | 7.2567; 12.446; 22.2 90; 90; 90 | 2005 | Chai, Jing; She, Yuheng; Jiao, Jinmiao; Li, Lili; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang Rb<sub>8</sub>Nb<sub>10</sub>Ge<sub>6</sub>O<sub>41</sub>: a new niobium-germanate crystal featuring unique one-dimensional [Nb<sub>7</sub>O<sub>30</sub>]<sub>∞</sub> chains and wide mid-IR transparency. Dalton transactions (Cambridge, England : 2003), 2024, 53, 2696-2702 |
2227034 | CIF HKL Paper | C18 H34 N6 O2 | P b c n | 12.571; 14.665; 10.877 90; 90; 90 | 2005.2 | Mendoza-Díaz, Guillermo; Betancourt-Mendiola, María de Lourdes; Bernès, Sylvain 5,11-Diisopropyl-2,8-dimethyl-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine dihydrate Acta Crystallographica Section E, 2010, 66, o1958-o1959 |
7214691 | CIF | C22 H15 Cl F6 O4 | P b c n | 11.2984; 7.2275; 24.573 90; 90; 90 | 2006.6 | Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone CrystEngComm, 2012, 14, 8599 |
2012848 | CIF HKL Paper | C20 H24 B2 N2 O2 S | P b c n | 11.484; 18.385; 9.509 90; 90; 90 | 2007.7 | Cox, Philip J.; Wardell, James L. Coordinative N→B bond formation and hydrogen-bonded molecular ladders in 2,5-bis[(<i>N</i>\ρightarrow <i>B</i>)-(2-aminoethoxy)phenylboryl]thiophene Acta Crystallographica Section C, 2002, 58, o515-o517 |
7006356 | CIF | C18 H12 Cd N14 | P b c n | 12.233; 7.277; 22.578 90; 90; 90 | 2009.9 | Ding, Bin; Yi, Long; Wang, Ying; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Jiang, Zong-Hui; Song, Hai-Bin; Wang, Hong-Gen Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(II) luminescent complexes. Dalton transactions (Cambridge, England : 2003), 2006, 665-675 |
7122689 | CIF | C14 H10 N2 | P b c n | 23.909; 11.079; 7.591 90; 90; 90 | 2010.8 | Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines Chemical Communications, 2018 |
2211793 | CIF HKL Paper | C16 H16 Cd2 N2 O11 | P b c n | 7.8099; 19.18; 13.4279 90; 90; 90 | 2011.4 | Wu, Hui-Fang; Chen, Xu-Dong; Du, Miao A one-dimensional Cd^II^ coordination polymer: poly[[[bis[methanolcadmium(II)]-μ~2~-aqua]-bis(μ~3~-pyridine-2,6-dicarboxylato-κ^5^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>')] Acta Crystallographica Section E, 2007, 63, m126-m128 |
7015157 | CIF | C16 H24 N6 O3 S2 | P b c n | 13.1262; 7.401; 20.7051 90; 90; 90 | 2011.44 | Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 3219-3228 |
2012718 | CIF Paper | C20 H18 Cl2 N2 O2 Zn | P b c n | 14.052; 10.192; 14.047 90; 90; 90 | 2011.8 | Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) from powder data Acta Crystallographica Section C, 2002, 58, m300-m301 |
4117673 | CIF | C27 H27 B | P b c n | 9.8794; 18.5005; 11.0075 90; 90; 90 | 2011.9 | Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion Journal of the American Chemical Society, 2012, 134, 4529-4532 |
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 |
2014859 | CIF Paper | C15 H15 I3 In N3 | P b c n | 9.6622; 14.9139; 13.985 90; 90; 90 | 2015.25 | Pardoe, Jennifer A. J.; Cowley, Andrew R.; Downs, Anthony J.; Greene, Timothy M. <i>mer</i>-Triiodotripyridineindium(III) Acta Crystallographica Section C, 2005, 61, m200-m202 |
2229024 | CIF HKL Paper | C21 H21 N O6 S2 | P b c n | 21.032; 6.2243; 15.405 90; 90; 90 | 2016.7 | Komarsamy, Lynette; Bala, Muhammad D.; Friedrich, Holger B.; Omondi, Bernard 2,6-Bis(tosyloxymethyl)pyridine Acta Crystallographica Section E, 2011, 67, o302 |
8101706 | CIF | C7 H11 Cl N O4 P | P b c n | 7.246; 9.134; 30.518 90; 90; 90 | 2019.8 | H. Dhaouadi; H. Marouani; M. Rzaigui Crystal structure of 4-chlorobenzylammonium dihydrogenmonophosphate, (ClC~7~H~6~NH~3~)~H2~PO~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 135-136 |
7234004 | CIF | C28 H14 S4 | P b c n | 6.0452; 7.701; 43.405 90; 90; 90 | 2020.7 | Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties Journal of Materials Chemistry C, 2015, 3, 674-685 |
2228429 | CIF HKL Paper | C19 H36 Al N3 | P b c n | 18.263; 10.596; 10.449 90; 90; 90 | 2022 | Li, Haoyang; Xiang, Yonggang; Han, Hongfei [1,1-(Butane-1,4-diyl)-2,3-dicyclohexylguanidinato]dimethylaluminum(III) Acta Crystallographica Section E, 2010, 66, m1598 |
2203157 | CIF HKL Paper | C20 H16 Mn N10 | P b c n | 14.5978; 8.1794; 16.9523 90; 90; 90 | 2024.1 | Ya-Qian Cheng; Mao-Lin Hu; Sai-Rong Fan; Wei Zhang Diazidobis(2,2'-bipyridine)manganese(II) Acta Crystallographica Section E, 2004, 60, m212-m213 |
4021843 | CIF | C13 H12 O2 | P b c n | 11.1852; 12.1545; 14.9021 90; 90; 90 | 2025.95 | Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems Journal of Organic Chemistry, 2006, 71, 6099-6109 |
8104654 | CIF | C22 H14 Cu N2 O4 S2 | P b c n | 20.171; 9.684; 10.372 90; 90; 90 | 2026 | Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1019-1020 |
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 |
4125311 | CIF | C11 H16 O3 | P b c n | 11.4542; 18.779; 9.4302 90; 90; 90 | 2028.4 | Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J. Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A. Journal of the American Chemical Society, 2016, 138, 14868-14871 |
2018569 | CIF HKL Paper | C22 H18 Ba O6 | P b c n | 20.464; 11.9699; 8.2812 90; 90; 90 | 2028.5 | Arlin, Jean-Baptiste; Kennedy, Alan R. Alkaline earth metal salts of 1-naphthoic acid Acta Crystallographica Section C, 2012, 68, m213-m218 |
4332528 | CIF | C2 H11 Cl Hg N Na O3 S | P b c n | 15.869; 7.4583; 17.177 90; 90; 90 | 2033 | Fleischer, Holger; Hardt, Sylvia; Schollmeyer, Dieter Structural Diversity within Analogous Compounds: Syntheses and Studies of M(SCH2CH2NH2)Cl (M = Zn, Cd, Hg) Inorganic Chemistry, 2006, 45, 8318-8325 |
2229436 | CIF HKL Paper | C16 H32 N4 O10 | P b c n | 17.183; 6.5826; 17.983 90; 90; 90 | 2034 | Szalay, Paul S.; Zeller, Matthias; Hunter, Allen D. 2,2'-[4,10-Bis(carboxymethyl)-4,10-diaza-1,7-diazoniacyclododecane-1,7-diyl]diacetate dihydrate Acta Crystallographica Section E, 2011, 67, o644 |
4312925 | CIF | C3 H10 N O8 Se2 V | P b c n | 6.3152; 18.1918; 17.7172 90; 90; 90 | 2035.44 | Intyaj Pasha; Amitava Choudhury; C. N. R. Rao Organically Templated Vanadyl Selenites with Layered Structures Inorganic Chemistry, 2003, 42, 409-415 |
7201403 | CIF | C2 H Br Cl F O2 | P b c n | 16.169; 6.0038; 20.971 90; 90; 90 | 2035.8 | Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid CrystEngComm, 2009, 11, 2668 |
2108268 | CIF HKL | C13 H14 F N | P b c n | 11.9582; 9.106; 18.7079 90; 90; 90 | 2037.1 | Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B, 2018, 74 |
7204712 | CIF | C21 H18 O6 S3 | P b c n | 8.457; 18.553; 13.006 90; 90; 90 | 2040.7 | Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives J. Mater. Chem., 2003, 13, 2490-2498 |
4025925 | CIF | C27 H22 | P b c n | 15.8798; 15.026; 8.5564 90; 90; 90 | 2041.6 | Curtis J. Rieder; Karl J. Winberg; F. G. West Olefination of α,α'-Divinyl Ketones through Catalytic Meyer-Schuster Rearrangement Journal of Organic Chemistry, 2011, 76, 50-56 |
2233057 | CIF HKL Paper | C10 H9 F N3 O1.5 | P b c n | 24.419; 10.147; 8.241 90; 90; 90 | 2042 | Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao 1-(4-Fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone hemihydrate Acta Crystallographica Section E, 2011, 67, o3170 |
4311155 | CIF | Ag6 K2 S10 Sn3 | P b c n | 24.0201; 6.4017; 13.3056 90; 90; 90 | 2046 | Menghe Baiyin; Yonglin An; Xin Liu; Min Ji; Cuiying Jia; Guiling Ning K2Ag6Sn3S10: A Quaternary Sulfide Composed of Silver Sulfide Layers Pillared by Zigzag Chains [SnS3]2- Inorganic Chemistry, 2004, 43, 3764-3765 |
2003436 | CIF Paper | Ce Mo8 O14 | P b c n | 9.1937; 11.121; 20.014 90; 90; 90 | 2046.3 | Kerihuel, G.; Gougeon, P. CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm) Acta Crystallographica Section C, 1995, 51, 787-790 |
7126577 | CIF | C14 H24 N4 O2 S2 Se2 | P b c n | 34.65; 4.9196; 12.0074 90; 90; 90 | 2046.8 | Karri, Ramesh; Das, Ranajit; Rai, Rakesh Kumar; Gopalakrishnan, Anaswara; Roy, Gouriprasanna Hg-C bond protonolysis by a functional model of bacterial enzyme organomercurial lyase MerB. Chemical communications (Cambridge, England), 2020, 56, 9280-9283 |
2216021 | CIF HKL Paper | C18 H16 Cl Mn N4 O8 | P b c n | 9.941; 15.416; 13.357 90; 90; 90 | 2047 | Zhang, Li-Fang Diaqua[<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)bis(pyridine-2-carboxamidato)-<i>{κ</i>}^4^<i>N</i>]manganese(III) perchlorate Acta Crystallographica Section E, 2007, 63, m2760-m2760 |
2001775 | CIF Paper | C2 H10 Na3 O10 P | P b c n | 10.617; 6.977; 27.65 90; 90; 90 | 2048 | Lis, T. Structure of phosphoglycolate (PG) in different ionization states. Structure of phosphoglycolic acid (H~3~PG) and its salts: KH~2~PG, NaH~2~PG, K~3~H~3~(PG)~2~, Na~2~HPG.0.5H~2~O, Na~5~H(PG)~2~.4H~2~O and Na~3~PG.4H~2~O Acta Crystallographica Section C, 1993, 49, 696-705 |
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 |
2238814 | CIF Paper | C22 H22 Mn N2 O4 | P b c n | 15.8353; 10.226; 12.6532 90; 90; 90 | 2048.96 | Suckert, Stefan; Jess, Inke; Näther, Christian Redetermination of bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) Acta Crystallographica Section E, 2013, 69, m620 |
2005477 | CIF Paper | La Mo8 O14 | P b c n | 9.2065; 11.1298; 20.0264 90; 90; 90 | 2052 | Kerihuel, G.; Tortelier, J.; Gougeon, P. LaMo~8~O~14~ Acta Crystallographica Section C, 1996, 52, 2389-2393 |
2213767 | CIF HKL Paper | C9 H8 Cl N3 S | P b c n | 38.708; 7.16; 7.407 90; 90; 90 | 2052.8 | Lu, Yin-Xiang Methyl <i>N</i>-(4-chlorophenyl)-<i>N</i>'-cyanocarbamimidothioate Acta Crystallographica Section E, 2007, 63, o3018 |
4328431 | CIF | C4 H20 B18 Co Cs I2 | P b c n | 7.0784; 11.7918; 24.599 90; 90; 90 | 2053.2 | Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives. Inorganic Chemistry, 2012, 51, 2629-2637 |
7024470 | CIF | C24 H20 Mn N6 O2 | P b c n | 20.661; 8.9103; 11.155 90; 90; 90 | 2053.6 | Tang, Jinkui; Nayak, Sanjit; Costa, José Sánchez; Robertazzi, Arturo; Pievo, Roberta; Mutikainen, Ilpo; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan Manganese(III)-mediated cyclodimerization of a hydrazinyl derivative generating an unprecedented 1,2,3,5,6-substituted leuco-verdazyl ring. Dalton transactions (Cambridge, England : 2003), 2010, 39, 1361-1365 |
2102050 | CIF Paper | C21 H22 N2 O5 S2 | P b c n | 17.503; 7.731; 15.188 90; 90; 90 | 2055.2 | Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B, 2000, 56, 234-244 |
4032025 | CIF | C12 H16 O2 | P b c n | 15.72; 10.2218; 12.7916 90; 90; 90 | 2055.44 | Berry, Ellen; Gomes, Gabriel Dos Passos; MacLean, Alex; Martin, Justin R.; Wiget, Paul A. Discovery of a Long-Range Perlin Effect in a Conformationally Constrained Oxocane. The Journal of organic chemistry, 2016, 81, 5740-5744 |
7056866 | CIF | C22 H10 F3 I3 | P b c n | 5.1221; 17.608; 22.7903 90; 90; 90 | 2055.46 | Li, Lili; Wu, Wen Xin; Liu, Zheng Fei; Jin, Wei Jun Effect of geometry factors on the priority of σ-hole⋯π and π-hole⋯π bond in phosphorescent cocrystals formed by pyrene or phenanthrene and trihaloperfluorobenzenes New Journal of Chemistry, 2018, 42, 10633 |
4076477 | CIF | C22 H26 N2 O3 | P b c n | 15.3988; 8.198; 16.2972 90; 90; 90 | 2057.3 | Braun, Markus; Frank, Walter; Ganter, Christian Reactivity of an Oxalamide-Based N-Heterocyclic Carbene Organometallics, 2012, 31, 1927 |
2222140 | CIF HKL Paper | C18 H16 N4 O13 S | P b c n | 14.691; 7.7968; 17.983 90; 90; 90 | 2059.8 | Cui, Yue; Gao, Qian; Zhang, Chao-Yan; Xie, Ya-Bo Bis(5,6-dicarboxybenzimidazolium) sulfate monohydrate Acta Crystallographica Section E, 2009, 65, o1335 |
7050251 | CIF | C30 H18 O4 | P b c n | 15.8893; 9.7361; 13.328 90; 90; 90 | 2061.84 | Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R. Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules New Journal of Chemistry, 2004, 28, 329 |
4340248 | CIF | C18 H26 N6 O4 W | P b c n | 7.6069; 16.3204; 16.6671 90; 90; 90 | 2069.2 | Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds. Inorganic chemistry, 2006, 45, 201-213 |
2240999 | CIF HKL Paper | C16 H18 Cd N12 O2 | P b c n | 9.8438; 9.1897; 22.8948 90; 90; 90 | 2071.1 | Zhu, Jin-Li; Jiang, Guo -Qing; Guo, Xiao-Qing; Tang, Yan-Feng; Wang, Miao Crystal structure of poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^)-<i>trans</i>-bis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)cadmium] Acta Crystallographica Section E, 2015, 71, 1022-1025 |
2004541 | CIF Paper | C24 H29 N O2 | P b c n | 15.899; 12.272; 10.618 90; 90; 90 | 2071.7 | Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S. 3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione Acta Crystallographica Section C, 1996, 52, 481-483 |
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 |
7125112 | CIF | C50 H60 B2 N2 | P b c n | 12.89; 9.6595; 16.653 90; 90; 90 | 2073.5 | Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P. A boron-centered radical: a potassium-crown ether stabilized boryl radical anion. Chemical communications (Cambridge, England), 2016, 52, 12714-12716 |
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 |
4026031 | CIF | C18 H30 O6 P2 | P b c n | 16.291; 12.324; 10.331 90; 90; 90 | 2074.2 | K. V. Sajna; Ramesh Kotikalapudi; Manab Chakravarty; N. N. Bhuvan Kumar; K. C. Kumara Swamy Cycloaddition Reactions of Allenylphosphonates and Related Allenes with Dialkyl Acetylenedicarboxylates, 1,3-Diphenylisobenzofuran, and Anthracene Journal of Organic Chemistry, 2011, 76, 920-938 |
4501195 | CIF | C24 H18 Mn N2 O4 | P b c n | 18.704; 11.6908; 9.4873 90; 90; 90 | 2074.5 | Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework Crystal Growth & Design, 2011, 11, 5305 |
4506014 | CIF | C24 H18 N4 O5 Zn | P b c n | 13.345; 14.624; 10.661 90; 90; 90 | 2080.6 | Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction Crystal Growth & Design, 2012, 12, 2079 |
2243943 | CIF HKL Paper | C12 H26 Hg N2 O2 S4 | P b c n | 12.235; 8.017; 21.251 90; 90; 90 | 2084 | Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)mercury(II) Acta Crystallographica Section E, 2021, 77 |
2020762 | CIF HKL Paper | C16 H22 Cu N6 O9 | P b c n | 13.3089; 8.4494; 18.535 90; 90; 90 | 2084.3 | Smolentsev, Anton I. Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands Acta Crystallographica Section C, 2017, 73 |
7226091 | CIF | C22 H14 N4 O9 Zn2 | P b c n | 17.3383; 7.7724; 15.5015 90; 90; 90 | 2088.99 | Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid CrystEngComm, 2016, 18, 6914 |
7226092 | CIF | C22 H14 Mn2 N4 O9 | P b c n | 17.3409; 7.7719; 15.5112 90; 90; 90 | 2090.47 | Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid CrystEngComm, 2016, 18, 6914 |
7055971 | CIF | C8 H16 N18 O10 | P b c n | 24.125; 8.0141; 10.8158 90; 90; 90 | 2091.1 | Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials New J. Chem., 2017, 41, 1918 |
2009382 | CIF Paper | C22 H16 N6 Ni O2 | P b c n | 13.9571; 9.8457; 15.231 90; 90; 90 | 2093 | Karmele Urtiaga, M.; Pizarro, J.L.; Cortes, R.; Goñi, A.; Larramendi, J.I.R. Structure of bis(2,2'-bipyridyl)diisocyanatonickel(II) Acta Crystallographica Section C, 1994, 50, 56-58 |
2005722 | CIF Paper | C13 H10 O3 | P b c n | 40.877; 6.96; 7.371 90; 90; 90 | 2097.1 | Dobson, A. J.; Gerkin, R. E. 2-Hydroxybiphenyl-3-carboxylic Acid (3-Phenylsalicylic Acid) Acta Crystallographica Section C, 1996, 52, 3088-3091 |
4075313 | CIF | C14 H24 Ag2 Cl2 N4 | P b c n | 9.029; 15.964; 14.56 90; 90; 90 | 2098.7 | Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B. Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains Organometallics, 2006, 25, 3768 |
2105082 | CIF HKL Paper | C12 H9 F N2 O | P b c n | 24.3381; 7.9334; 10.8791 90; 90; 90 | 2100.58 | Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B, 2012, 68, 189-203 |
2215904 | CIF HKL Paper | C11 H15 N O2 | P b c n | 11.7776; 9.4779; 18.818 90; 90; 90 | 2100.6 | Slawin, Alexandra M. Z.; Harrison, William T. A. <i>N</i>-(4-Propoxyphenyl)acetamide Acta Crystallographica Section E, 2007, 63, o4280-o4280 |
9012334 | CIF | S20 | P b c n | 18.58; 13.181; 8.6 90; 90; 90 | 2106.17 | Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A. Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S20 Zeitschrift fur Anorganische und Allgemeine Chemie, 1974, 405, 153-162 |
7201402 | CIF | C2 H Br Cl F O2 | P b c n | 16.458; 6.0708; 21.095 90; 90; 90 | 2107.7 | Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid CrystEngComm, 2009, 11, 2668 |
2217910 | CIF HKL Paper | C22 H16 Co N6 O2 | P b c n | 14.148; 9.774; 15.253 90; 90; 90 | 2109 | Jia, LI; Kong, Ling-Qian; Li, Da-Cheng <i>cis</i>-Bis(2,2'-bipyridyl)dicyanatocobalt(II) Acta Crystallographica Section E, 2008, 64, m582 |
4113049 | CIF | C13 H12 N2 O | P b c n | 11.1582; 10.6203; 17.8002 90; 90; 90 | 2109.38 | Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes Journal of the American Chemical Society, 2004, 126, 13519-13525 |
4116052 | CIF | C26 H16 Fe N6 S2 | P b c n | 12.51; 9.959; 16.949 90; 90; 90 | 2111.6 | Jey-Jau Lee; Hwo-shuenn Sheu; Chi-Rung Lee; Jin-Ming Chen; Jyh-Fu Lee; Chih-Chieh Wang; Chun-Hsun Huang; Yu Wang X-ray Absorption Spectroscopic Studies on Light-Induced Excited Spin State Trapping of an Fe(II) Complex Journal of the American Chemical Society, 2000, 122, 5742-5747 |
7226394 | CIF | C9 H22 Ce2 O20 | P b c n | 11.3106; 12.6698; 14.7397 90; 90; 90 | 2112.2 | Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina Crystal growth and structural remarks on malonate-based lanthanide coordination polymers CrystEngComm, 2016, 18, 7831 |
4511444 | CIF | C26 H20 O4 | P b c n | 22.552; 12.9259; 7.2463 90; 90; 90 | 2112.33 | Sanyal, Nibedita; Lahti, Paul M. Hydrogen-Bond-Assisted, Crossed Dipole π-Stacking in 1,4-Bis(phenylethynyl)benzene Crystal Growth & Design, 2006, 6, 1253 |
2235249 | CIF HKL Paper | C19 H16 Br4 N2 Ni O2 | P b c n | 16.1125; 15.4789; 8.4734 90; 90; 90 | 2113.3 | Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz {4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II) Acta Crystallographica Section E, 2012, 68, m753 |
8101024 | CIF | C13 H23 Cu N7 O11 | P b c n | 21.006; 14.558; 6.9119 90; 90; 90 | 2113.7 | Diouf, Ousmane; Gaye, Mohamed; Sall, Abdou S.; Tamboura, Farba; Barry, Aliou H.; Jouini, Tahar Crystal structure of diaqua-2,6-diacetylpyridine-bis(acetylhydrazone) copper(II) complex dinitrate hydrate, [Cu(C~13~H~17~N~5~O~2~)(H~2~O) ~2~](NO~3~)~2~ · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 421-422 |
4072654 | CIF | C21 H26 Cl O P2 Rh | P b c n | 9.8155; 17.606; 12.2382 90; 90; 90 | 2114.9 | Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis Organometallics, 2007, 26, 713 |
7012361 | CIF | C12 H30 Cl3 O9 Sc | P b c n | 10.721; 14.8569; 13.2776 90; 90; 90 | 2114.9 | Brown, Michael D.; Levason, William; Murray, David C.; Popham, Michael C.; Reid, Gillian; Webster, Michael Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers Dalton Transactions, 2003, 857 |
1567613 | CIF | C22 H14 I3 N | P b c n | 21.0383; 13.782; 7.3031 90; 90; 90 | 2117.5 | Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162 |
7227347 | CIF | C25 H24 N4 O2 | P b c n | 13.4447; 8.7623; 17.9862 90; 90; 90 | 2118.89 | Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes CrystEngComm, 2017, 19, 1076 |
7118067 | CIF | C24 H26 Au Cl N2 | P b c n | 15.6786; 18.9401; 7.1383 90; 90; 90 | 2119.75 | Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes Chem.Commun., 2015, 51, 16629 |
1567612 | CIF | C22 H15 I3 N2 | P b c n | 21.0883; 13.773; 7.3022 90; 90; 90 | 2120.9 | Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162 |
7152601 | CIF | C28 H30 O | P b c n | 7.6851; 16.8705; 16.3611 90; 90; 90 | 2121.24 | Posavec, Damir; Zabel, Manfred; Bogner, Udo; Bernhardt, Günther; Knör, Günther Functionalized derivatives of 1,4-dimethylnaphthalene as precursors for biomedical applications: synthesis, structures, spectroscopy and photochemical activation in the presence of dioxygen. Organic & biomolecular chemistry, 2012, 10, 7062-7069 |
4113050 | CIF | C13 H12 N2 O | P b c n | 11.1678; 10.6508; 17.8355 90; 90; 90 | 2121.46 | Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes Journal of the American Chemical Society, 2004, 126, 13519-13525 |
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 |
7017865 | CIF | C23 H22 Fe2 S3 | P b c n | 7.7164; 10.3973; 26.4771 90; 90; 90 | 2124.25 | Singh, Santosh K.; Chauhan, Ratna; Singh, Bandana; Diwan, Kiran; Kociok-Köhn, Gabriele; Bahadur, Lal; Singh, Nanhai Enhanced light harvesting efficiencies of bis(ferrocenylmethyl)-based sulfur rich sensitizers used in dye sensitized TiO2 solar cells. Dalton transactions (Cambridge, England : 2003), 2012, 41, 1373-1380 |
2008902 | CIF Paper | C22 H26 O6 | P b c n | 14.898; 9.19; 15.525 90; 90; 90 | 2125.6 | Dobson, Allison J.; Gerkin, Roger E. C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate Acta Crystallographica Section C, 1999, 55, 1496-1499 |
2236418 | CIF HKL Paper | C21 H26 Cu N2 O5 | P b c n | 20.567; 12.2647; 8.4287 90; 90; 90 | 2126.1 | Ganji, Fatemeh; Kargar, Hadi; Kia, Reza; Mirkhani, Valiollah; Tahir, Muhammad Nawaz {4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate Acta Crystallographica Section E, 2012, 68, m1255 |
1567609 | CIF | C23 H16 I3 N | P b c n | 21.1343; 13.7339; 7.328 90; 90; 90 | 2127 | Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162 |
4339815 | CIF | C24 H30 N2 Ni O2 | P b c n | 10.2304; 11.0782; 18.7722 90; 90; 90 | 2127.54 | Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt. Inorganic chemistry, 2007, 46, 7880-7889 |
2216278 | CIF HKL Paper | C20 H26.34 N4 O10.17 | P b c n | 19.4117; 8.1486; 13.4528 90; 90; 90 | 2127.94 | P. G. Seethalakshmi; P. Ramadevi; S. Kumaresan; Harrison, William T. A. 1,4-Diazoniabicyclo[2.2.2]octane bis(3-carboxypyridine-2-carboxylate) 2.17-hydrate Acta Crystallographica Section E, 2007, 63, o4837-o4837 |
4340253 | CIF | C18 H26 Mo N6 O4 | P b c n | 7.6716; 16.498; 16.824 90; 90; 90 | 2129.3 | Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds. Inorganic chemistry, 2006, 45, 201-213 |
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 |
2225870 | CIF HKL Paper | C22 H24 N2 O4 Zn | P b c n | 8.9646; 10.628; 22.366 90; 90; 90 | 2130.9 | Bai, Li-Ming Bis[2-(cyclopropyliminomethyl)-5-methoxyphenolato]zinc(II) Acta Crystallographica Section E, 2010, 66, m531 |
4000274 | CIF | C12 H16 F12 N2 O6 Ru | P b c n | 17.4585; 9.9702; 12.2534 90; 90; 90 | 2132.88 | Chemistry of Materials, 2003 |
4331746 | CIF | C7 H6 O8 S U | P b c n | 20.8194; 7.8416; 13.0646 90; 90; 90 | 2132.89 | Pierre Thuéry Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate Inorganic Chemistry, 2013, 52, 435-447 |
4086051 | CIF | C21 H18.92 Br3 Cu2.08 N2 | P b c n | 20.664; 14.8519; 6.9524 90; 90; 90 | 2133.7 | Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach Organometallics, 2015, 34, 3497 |
4121579 | CIF | C23 H20 Cl2 N4 Zn | P b c n | 11.6964; 15.8328; 11.522 90; 90; 90 | 2133.72 | Bhowmik, Sandip; Ghosh, Biswa Nath; Marjomäki, Varpu; Rissanen, Kari Nanomolar Pyrophosphate Detection in Water and in a Self-Assembled Hydrogel of a Simple Terpyridine-Zn(2+) Complex. Journal of the American Chemical Society, 2014, 136, 5543 |
4113051 | CIF | C13 H12 N2 O | P b c n | 11.1782; 10.6868; 17.8841 90; 90; 90 | 2136.42 | Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes Journal of the American Chemical Society, 2004, 126, 13519-13525 |
7214062 | CIF | C20 H16 Cd N6 O6 | P b c n | 19.6725; 10.3235; 10.5318 90; 90; 90 | 2138.9 | Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties CrystEngComm, 2014, 16, 1632 |
7059473 | CIF | C10 H5 Br N2 S Te | P b c n | 11.9421; 7.2245; 24.8025 90; 90; 90 | 2139.85 | Romito, Deborah; Biot, Nicolas; Babudri, Francesco; Bonifazi, Davide Non-covalent bridging of bithiophenes through chalcogen bonding grips New Journal of Chemistry, 2020, 44, 6732-6738 |
2012103 | CIF HKL Paper | C15 H22 N6 O10 S2 | P b c n | 26.625; 7.863; 10.23 90; 90; 90 | 2141.7 | Jan Janczak; Genivaldo Julio Perpétuo Melaminium bis(4-hydroxybenzenesulfonate) dihydrate Acta Crystallographica Section C, 2001, 57, 873-875 |
4303621 | CIF | C16 H24 Ca Cl2 O8 | P b c n | 7.374; 23.314; 12.458 90; 90; 90 | 2141.7 | Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope Calcium Complexation by Corticosteroids Inorganic Chemistry, 2009, 48, 10780-10788 |
4307567 | CIF | C26 H14 Fe N12 | P b c n | 13.8675; 9.3721; 16.4788 90; 90; 90 | 2141.71 | Wen Zhang; Fei Zhao; Tao Liu; Mei Yuan; Zhe-Ming Wang; Song Gao Spin Crossover in a Series of Iron(II) Complexes of 2-(2-Alkyl-2H-tetrazol-5-yl)-1,10-phenanthroline: Effects of Alkyl Side Chain, Solvent, and Anion Inorganic Chemistry, 2007, 46, 2541-2555 |
2208336 | CIF Paper | C26 H16 Mn N6 O2 | P b c n | 13.603; 9.401; 16.749 90; 90; 90 | 2141.9 | Li, Zhan-Xian; Yu, Ming-Ming; Ni, Zhong-Hai; Kou, Hui-Zhong; Fu, Wen-Fu Dicyanatobis(1,10-phenanthroline)manganese(II) Acta Crystallographica Section E, 2006, 62, m486-m487 |
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 |
1564700 | CIF | C40 H32 O48 Rb16 S16 | P b c n | 12.5218; 23.348; 7.3314 90; 90; 90 | 2143.4 | Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks Chemical Science, 2021 |
7216632 | CIF | C13 H10 N2 O3 | P b c n | 9.4072; 12.735; 17.8919 90; 90; 90 | 2143.46 | Paul, Mithun; Dastidar, Parthasarathi Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions CrystEngComm, 2014, 16, 7815 |
4021558 | CIF | C21 H29 B F2 N2 O2 | P b c n | 18.193; 11.808; 9.98 90; 90; 90 | 2143.9 | Chikoto Fujimoto; Yukio Kusunose; Hiromitsu Maeda CH···Anion Interaction in BF~2~ Complexes of C~3~-Bridged Oligopyrroles Journal of Organic Chemistry, 2006, 71, 2389-2394 |
4344511 | CIF | As2 F12 Se6.22 Te3.66 | P b c n | 14.84; 10.828; 13.345 90; 90; 90 | 2144.38 | Boldrini, P.; Brown, I.; Vekris, J.E.; Ireland, P.R.; Gillespie, R.J.; Slim, D.R.; Luk, W.C. Preparation and crystal structures of ditellurium octaselenium bis(hexafluoroarsenate)-sulfur dioxide, Te2 Se8 (As F6)2 S O2, and tetratellurium hexaselenium bis(hexafluoroarsenate), Te3.7 Se6.3 (As F6)2 Inorganic Chemistry, 1976, 15, 765-770 |
2217710 | CIF HKL Paper | C14 H20 Br4 Co N2 | P b c n | 17.234; 9.0691; 13.729 90; 90; 90 | 2145.8 | Ali, Basem Fares; Al-Far, Rawhi H.; Haddad, Salim F. Bis(2,6-dimethylpyridinium) tetrabromidocobaltate(II) Acta Crystallographica Section E, 2008, 64, m485-m486 |
7057064 | CIF | C8 H9 Co0.29 Li Mg0.21 N3 O5 | P b c n | 14.7194; 8.8624; 16.4634 90; 90; 90 | 2147.64 | Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions New Journal of Chemistry, 2018, 42, 5096 |
2221584 | CIF HKL Paper | C14 H20 Br4 N2 Zn | P b c n | 17.237; 9.0754; 13.7302 90; 90; 90 | 2147.9 | Ali, Basem Fares; Al-Far, Rawhi Bis(2,6-dimethylpyridinium) tetrabromidozincate(II) Acta Crystallographica Section E, 2009, 65, m581-m582 |
2234137 | CIF HKL Paper | C19 H16 Br4 Cu N2 O2 | P b c n | 16.3594; 15.5106; 8.4686 90; 90; 90 | 2148.86 | Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz {4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II) Acta Crystallographica Section E, 2012, 68, m392 |
2226168 | CIF HKL Paper | C26 H16 Co N6 O2 | P b c n | 13.2317; 9.7095; 16.7265 90; 90; 90 | 2148.9 | Zhang, Dao-Peng; Tian, Nai-Chang; Zhang, Xiao-Mei Bis(isocyanato-κ<i>N</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) Acta Crystallographica Section E, 2010, 66, m614 |
7212136 | CIF | C23 H28 N8 | P b c n | 16.807; 16.647; 7.6875 90; 90; 90 | 2150.9 | Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan A europium complex with enhanced long-wavelength sensitized luminescent properties. Physical chemistry chemical physics : PCCP, 2010, 12, 3195-3202 |
4339817 | CIF | C24 H30 Co N2 O2 | P b c n | 10.3003; 11.1678; 18.7003 90; 90; 90 | 2151.13 | Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt. Inorganic chemistry, 2007, 46, 7880-7889 |
2219940 | CIF HKL Paper | C25 H16 N4 Ni O5 | P b c n | 12.725; 10.752; 15.733 90; 90; 90 | 2152.6 | Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(croconato-κ^2^<i>O</i>,<i>O</i>')nickel(II) Acta Crystallographica Section E, 2008, 64, m1459 |
7026856 | CIF | C27 H28 B N | P b c n | 12.946; 10.6126; 15.6759 90; 90; 90 | 2153.7 | Son, Jung-Ho; Pudenz, Michael A.; Hoefelmeyer, James D. Reactivity of the bifunctional ambiphilic molecule 8-(dimesitylboryl)quinoline: hydrolysis and coordination to Cu(I), Ag(I) and Pd(II). Dalton transactions (Cambridge, England : 2003), 2010, 39, 11081-11090 |
7057063 | CIF | C8 H9 Co0.14 Li Mg0.36 N3 O5 | P b c n | 14.7495; 8.881; 16.4433 90; 90; 90 | 2153.9 | Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions New Journal of Chemistry, 2018, 42, 5096 |
2017513 | CIF HKL Paper | C13 H11 N O3 | P b c n | 19.225; 5.0503; 22.1886 90; 90; 90 | 2154.3 | Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B. Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib Acta Crystallographica Section C, 2010, 66, o71-o78 |
4113052 | CIF | C13 H12 N2 O | P b c n | 11.1901; 10.7272; 17.9468 90; 90; 90 | 2154.31 | Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes Journal of the American Chemical Society, 2004, 126, 13519-13525 |
2017512 | CIF HKL Paper | C13 H9 N O S | P b c n | 11.9297; 10.8294; 16.6986 90; 90; 90 | 2157.32 | Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B. Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib Acta Crystallographica Section C, 2010, 66, o71-o78 |
7057065 | CIF | C16 H18 Co Li2 N6 O10 | P b c n | 14.7458; 8.8756; 16.4841 90; 90; 90 | 2157.4 | Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions New Journal of Chemistry, 2018, 42, 5096 |
4086054 | CIF | C21 H18.91 Br3 Cu2.09 N2 | P b c n | 20.7826; 14.9253; 6.9568 90; 90; 90 | 2157.91 | Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach Organometallics, 2015, 34, 3497 |
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 |
7026920 | CIF | C4 H6 Cl10 N2 Si5 | P b c n | 12.904; 13.186; 12.688 90; 90; 90 | 2159 | Dai, Xuliang; Anderson, Kenneth J.; Schulz, Douglas L.; Boudjouk, Philip Coordination chemistry of Si5Cl10 with organocyanides. Dalton transactions (Cambridge, England : 2003), 2010, 39, 11188-11192 |
7057062 | CIF | C16 H18 Li2 Mg N6 O10 | P b c n | 14.752; 8.8836; 16.476 90; 90; 90 | 2159.19 | Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions New Journal of Chemistry, 2018, 42, 5096 |
2234605 | CIF HKL Paper | C10 H14 Cl N3 | P b c n | 15.0055; 8.0884; 17.8088 90; 90; 90 | 2161.46 | Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Kovačević, Goran; Bajić, Miroslav 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride Acta Crystallographica Section E, 2012, 68, o1360 |
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 |
4301610 | CIF | C16 H38 N4 W | P b c n | 12.759; 9.307; 18.244 90; 90; 90 | 2166.44 | Hamid Choujaa; Samuel D. Cosham; Andrew L. Johnson; Graeme R. Kafka; Mary F. Mahon; Sarah L. Masters; Kieran C. Molloy; David W. H. Rankin; Heather E. Robertson; Derek A. Wann Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2 and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species Inorganic Chemistry, 2009, 48, 2289-2299 |
8101696 | CIF | C8 H11 N2 O5 P | P b c n | 24.714; 7.3303; 11.98 90; 90; 90 | 2170.3 | K. Gholivand; Z. Shariatinia; M. Pourayoubi Refinement of the crystal structure of N-4-nitrophenylphosphoramidic acid dimethyl ester, (CH~3~O)~2~PONHC~6~H~4~NO~2~, at 120 K Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 65-66 |
2240331 | CIF HKL Paper | C28 H28 N2 O2 | P b c n | 23.722; 8.8117; 10.3903 90; 90; 90 | 2171.9 | Ouari, Kamel; Bendia, Sabrina; Merzougui, Moufida; Bailly, Corinne 1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) Acta Crystallographica Section E, 2015, 71, o51-o52 |
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