Crystallography Open Database
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Searching space group like 'P 63'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2002503 | CIF | Ba2 Ca5 Dy18 O36 Zr | P 63 | 17.69469; 17.69469; 3.3658 90; 90; 120 | 912.7 | Mueller-Buschbaum, Hk; Vogt, R Ein Beitrag zum Sr Ca2 Lu10 O18-Typ. Zur Elementverteilung in Ba2 Ca5 Dy18 Zr O36 Journal of the Less-Common Metals, 1990, 163, 347-351 |
| 2004218 | CIF Paper | K O12 Se2 V3 | P 63 | 7.121; 7.121; 11.4 90; 90; 120 | 500.6 | Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J. Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~ Acta Crystallographica Section C, 1995, 51, 2473-2476 |
| 2005178 | CIF Paper | C40 H38 Br2 N3 Nb O | P 63 | 13.671; 13.671; 11.4 90; 90; 120 | 1845.2 | Hoffman, D. M.; Rangarajan, S. P. A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate Acta Crystallographica Section C, 1996, 52, 1616-1618 |
| 2006645 | CIF Paper | Al14.4 Cr3.4 Ni1.1 | P 63 | 17.674; 17.674; 12.516 90; 90; 120 | 3385.8 | Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W. A New Hexagonal κ Phase of Al‒Cr‒Ni Acta Crystallographica Section C, 1997, 53, 1531-1533 |
| 2008722 | CIF Paper | Fe Ge K O4 | P 63 | 18.749; 18.749; 8.684 90; 90; 120 | 2643.7 | Robert Hammond; Jacques Barbier Low-temperature KFeGeO~4~ Acta Crystallographica Section C, 1999, 55, IUC9900074 |
| 2008759 | CIF Paper | Cu Dy3 Ge Se7 | P 63 | 10.2499; 10.2499; 6.0322 90; 90; 120 | 548.84 | Huang, Fu Qiang; Ibers, James A. Dy~3~CuGeSe~7~ Acta Crystallographica Section C, 1999, 55, 1210-1212 |
| 2011286 | CIF HKL Paper | C15 H12 Cl5 Fe2 N12 S3 | P 63 | 10.3499; 10.3499; 14.6652 90; 90; 120 | 1360.48 | Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride Acta Crystallographica Section C, 2000, 56, 957-959 |
| 2011468 | CIF HKL Paper | Cs O12 Se2 V3 | P 63 | 7.1613; 7.1613; 11.6184 90; 90; 120 | 516.01 | Harrison, William T. A. Caesium vanadium selenite, Cs(VO~2~)~3~(SeO~3~)~2~ Acta Crystallographica Section C, 2000, 56, e422-e422 |
| 2011970 | CIF HKL Paper | H4 N O4 P Zn | P 63 | 10.702; 10.702; 8.703 90; 90; 120 | 863.2 | Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F. Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K Acta Crystallographica Section C, 2001, 57, 508-509 |
| 2014099 | CIF HKL Paper | Ce3 Fe1.94 S7 | P 63 | 10.096; 10.096; 5.961 90; 90; 120 | 526.2 | Mills, Allison M.; Ruck, Michael Cerium iron sulfide, Ce~3~Fe~1.94~S~7~ Acta Crystallographica Section C, 2004, 60, i71-i72 |
| 2014653 | CIF Paper | C9 H21 Br4 N3 O6 Zn2 | P 63 | 11.337; 11.337; 9.91 90; 90; 120 | 1103.1 | Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard Tris[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetrabromozincate Acta Crystallographica Section C, 2005, 61, m76-m77 |
| 2015120 | CIF Paper | Ga I3 O9 | P 63 | 9.0924; 9.0924; 5.2862 90; 90; 120 | 378.47 | Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang Gallium tris(iodate), Ga(IO~3~)~3~ Acta Crystallographica Section C, 2005, 61, i109-i110 |
| 2019502 | CIF Paper | Al K O4 Si | P 63 | 5.19817; 5.19817; 8.5865 90; 90; 120 | 200.931 | Kremenović, Aleksandar; Vulić, Predrag Disordered kalsilite KAlSiO~4~ Acta Crystallographica Section C, 2014, 70, 256-259 |
| 2019520 | CIF HKL Paper | C8 H20 Cl4 Fe N | P 63 | 24.513; 24.513; 13.0356 90; 90; 120 | 6783.5 | Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M. Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III) Acta Crystallographica Section C, 2014, 70, 470-476 |
| 2021973 | CIF HKL Paper | C8 H20 N Re S4 | P 63 | 24.17; 24.17; 12.916 90; 90; 120 | 6534.5 | Bernhardt, Eduard; Herbst-Irmer, Regine Phase transition and structures of the twinned low-temperature phases of (Et~4~N)[ReS~4~] Acta Crystallographica Section C, 2020, 76 |
| 2100834 | CIF Paper | C18 H48 Cr N9 O12 | P 63 | 13.029; 13.029; 10.04 90; 90; 120 | 1476 | Morooka, M.; Ohba, S.; Miyamae, H. Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K Acta Crystallographica Section B, 1992, 48, 667-672 |
| 2100835 | CIF Paper | C18 H48 N9 O12 Rh | P 63 | 13.101; 13.101; 9.984 90; 90; 120 | 1484 | Morooka, M.; Ohba, S.; Miyamae, H. Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K Acta Crystallographica Section B, 1992, 48, 667-672 |
| 2100906 | CIF Paper | Cr Li O4 Rb | P 63 | 5.463; 5.463; 9.147 90; 90; 120 | 236.41 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
| 2100907 | CIF Paper | Cr Li O4 Rb | P 63 | 5.471; 5.471; 9.14 90; 90; 120 | 236.92 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
| 2102090 | CIF Paper | K Li O4 S | P 63 | 5.202; 5.202; 8.647 90; 90; 120 | 202.65 | Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B, 2000, 56, 607-617 |
| 2102183 | CIF Paper | C27 H15 Br3 Cl3 N3 O3 | P 63 | 15.25; 15.25; 6.8149 90; 90; 120 | 1372.6 | Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R. Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene Acta Crystallographica Section B, 2000, 56, 1080-1084 |
| 2102184 | CIF Paper | C27 H15 Br3 Cl3 N3 O3 | P 63 | 15.166; 15.166; 6.743 90; 90; 120 | 1343.2 | Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R. Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene Acta Crystallographica Section B, 2000, 56, 1080-1084 |
| 2102551 | CIF Paper | N4 Si3 | P 63 | 7.6044; 7.6044; 2.9063 90; 90; 120 | 145.546 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102553 | CIF Paper | N4 Si3 | P 63 | 7.6015; 7.6015; 2.9061 90; 90; 120 | 145.425 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2102555 | CIF Paper | N4 Si3 | P 63 | 7.602; 7.602; 2.906 90; 90; 120 | 145.439 | du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F. Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~ Acta Crystallographica Section B, 2004, 60, 388-405 |
| 2104303 | CIF HKL Paper | Ag0.82 Ge La3 S7 | P 63 | 10.4056; 10.4056; 5.828 90; 90; 120 | 546.49 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104304 | CIF HKL Paper | Ag0.88 Ce3 Ge S7 | P 63 | 10.3902; 10.3902; 5.8425 90; 90; 120 | 546.23 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104305 | CIF Paper | Ag0.89 Ge Pr3 S7 | P 63 | 10.229; 10.229; 5.776 90; 90; 120 | 523.39 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104306 | CIF HKL Paper | Ag0.84 Ge Nd3 S7 | P 63 | 10.193; 10.193; 5.7693 90; 90; 120 | 519.11 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104307 | CIF HKL Paper | Ag0.74 Ge S7 Sm3 | P 63 | 10.0809; 10.0809; 5.7604 90; 90; 120 | 506.97 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104308 | CIF HKL Paper | Ag0.63 Gd3 Ge S7 | P 63 | 9.9637; 9.9637; 5.766 90; 90; 120 | 495.73 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104309 | CIF HKL Paper | Ag0.59 Ge S7 Tb3 | P 63 | 9.9003; 9.9003; 5.7654 90; 90; 120 | 489.39 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104310 | CIF HKL Paper | Ag0.51 Dy3 Ge S7 | P 63 | 9.8003; 9.8003; 5.7879 90; 90; 120 | 481.43 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104311 | CIF HKL Paper | Ag0.5 Ge Ho3 S7 | P 63 | 9.7401; 9.7401; 5.7994 90; 90; 120 | 476.48 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104312 | CIF HKL Paper | Ag0.5 Er3 Ge S7 | P 63 | 9.6921; 9.6921; 5.8308 90; 90; 120 | 474.35 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2104313 | CIF HKL Paper | Ag0.5 Ge S7 Y3 | P 63 | 9.809; 9.809; 5.8059 90; 90; 120 | 483.78 | Daszkiewicz, Marek; Gulay, Lubomir D.; Lychmanyuk, Olga S. Ln~3~<i>M</i>~1{-~δ}<i>TX</i>~7~ ‒ quasi-isostructural compounds: stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~δ}GeS~7~ (Ln = La‒Nd, Sm, Gd‒Er and Y; δ = 0.11‒0.50) compounds Acta Crystallographica Section B, 2009, 65, 126-133 |
| 2105551 | CIF Paper | Al0.97 Ge1.03 K0.19 Na0.78 O4 | P 63 | 10.164; 10.164; 8.54 90; 90; 120 | 764 | Hammond, R. P.; Barbier, J. Monoclinic and Hexagonal Nepheline Structures of (Na~3/4~/K~1/4~)AlGeO~4~ Acta Crystallographica Section B, 1998, 54, 211-220 |
| 2106488 | CIF | Cu20 Sn6 | P 63 | 7.33; 7.33; 7.864 90; 90; 120 | 365.917 | Brandon, J.K.; Pearson, W.B.; Tozer, D.J.N. A single-crystal X-ray diffraction of the zeta bronze structure, Cu20 Sn6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 774-779 |
| 2106678 | CIF | F10 Na Sb3 | P 63 | 8.285; 8.285; 7.6 90; 90; 120 | 451.782 | Fourcade, R.; Mascherpa, G.; Philippot, E. Structure cristalline et moleculaire de Na Sb3 F10 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2322-2326 |
| 2106883 | CIF | Bi6.333 Br S9 | P 63 | 15.545; 15.545; 4.019 90; 90; 120 | 841.066 | Mariolacos, K. The crystal structure of Bi (Bi2 S3)9 Br3 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1947-1949 |
| 2106987 | CIF | Ba Ge O4 Zn | P 63 | 9.2905; 9.2905; 8.728 90; 90; 120 | 652.414 | Iijima, K.; Marumo, F. The room-temperature structure of Ba Zn Ge O4 Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1112-1116 |
| 2200066 | CIF HKL Paper | C24 H42 N3 S6 Sb | P 63 | 13.8948; 13.8948; 9.4868 90; 90; 120 | 1586.19 | Baba, Ibrahim; Ibrahim, Sukeria; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng Tris(<i>N</i>-cyclohexyl-<i>N</i>-methyldithiocarbamato-<i>S</i>)antimony(III) Acta Crystallographica Section E, 2001, 57, m39-m40 |
| 2216155 | CIF HKL Paper | Ce3 Ge Mg0.5 S7 | P 63 | 10.2626; 10.2626; 5.7679 90; 90; 120 | 526.09 | Gulay, L. D.; Daszkiewicz, M.; Huch, M. R.; Pietraszko, A. Ce~3~Mg~0.5~GeS~7~ from single-crystal data Acta Crystallographica Section E, 2007, 63, i187-i187 |
| 2220383 | CIF HKL Paper | B18 H20 Mn6 N2 Na10 O75 P12 | P 63 | 11.9331; 11.9331; 12.129 90; 90; 120 | 1495.76 | Lin, Zhi-Sheng; Huang, Ya-Xi; Prots, Yurii; Zhao, Jing-Tai; Kniep, Rüdiger Na~5~(NH~4~)Mn~3~[B~9~P~6~O~33~(OH)~3~]·1.5H~2~O Acta Crystallographica Section E, 2008, 64, i82-i83 |
| 2234124 | CIF HKL Paper | C88 H65.33 Cu2 I2 O0.67 P4 | P 63 | 25.573; 25.573; 18.593 90; 90; 120 | 10530 | Volz, Daniel; Nieger, Martin; Bräse, Stefan Di-μ-iodido-bis{[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']copper(I)} 0.67-hydrate Acta Crystallographica Section E, 2012, 68, m466-m467 |
| 2236973 | CIF HKL Paper | C14 H23 N O2 | P 63 | 19.5845; 19.5845; 6.6307 90; 90; 120 | 2202.5 | Wood, Mary H.; Clarke, Stuart M. (<i>S</i>)-({-})-1-Phenylethanaminium hexanoate Acta Crystallographica Section E, 2012, 68, o3335 |
| 2240185 | CIF HKL Paper | Cl2 H6 O11 Sn | P 63 | 7.0701; 7.0701; 9.7631 90; 90; 120 | 422.64 | Hennings, Erik; Schmidt, Horst; Köhler, Martin; Voigt, Wolfgang Crystal structure of tin(II) perchlorate trihydrate Acta Crystallographica Section E, 2014, 70, 474-476 |
| 2244123 | CIF HKL Paper | Ba3 H12 O17 Se2 Sn | P 63 | 9.255; 9.255; 11.4441 90; 90; 120 | 848.92 | Reuter, Hans; Kamaha, Shouassi Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI) Acta Crystallographica Section E, 2022, 78 |
| 2300689 | CIF HKL | Al63.643 Cr10 Cu18.381 | P 63 | 10.9995; 10.9995; 12.698 90; 90; 120 | 1330.5 | Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase Journal of Applied Crystallography, 2022, 55, 74-79 |
| 2310421 | CIF | I Li O3 | P 63 | 5.478; 5.478; 5.17 90; 90; 120 | 134.359 | de Boer, J.L.; van Bolhuis, F.; Olthof-Hazekamp, R.; Vos, A. Reinvestigation of the crystal structure of lithium iodate Acta Crystallographica (1,1948-23,1967), 1966, 21, 841-843 |
| 2310680 | CIF | H4 Mg2 O9 Si2 | P 63 | 5.31; 5.31; 14.04 90; 90; 120 | 342.836 | Steinfink, H.; Brunton, G. The crystal structure of amesite Acta Crystallographica (1,1948-23,1967), 1956, 9, 487-492 |
| 2310864 | CIF | H3 N Na O3 P | P 63 | 5.773; 5.773; 6.031 90; 90; 120 | 174.07 | Hobbs, E.; Corbridge, D.E.C.; Raistrick, B. The Crystal Structure of Monosodium Phosphoramidate, Na H P O3 N H2 Acta Crystallographica (1,1948-23,1967), 1953, 6, 621-626 |
| 3000551 | On hold until 2024-12-14 | C27 H36 Ag Cl N12 | P 63 | 15.4163; 15.4163; 7.1248 90; 90; 120 | 1466.4 | Carmen López; Miguel Quirós; Miguel A. Galindo To be published |
| 4000031 | CIF | Ba3 O3 S4 V2 | P 63 | 10.1661; 10.1661; 5.9306 90; 90; 120 | 530.81 | Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong Synthesis and Structural Analysis of Ba3V2O3S4 Chemistry of Materials, 2001, 13, 304-307 |
| 4001015 | CIF | O12 Rb Se2 V3 | P 63 | 7.1364; 7.1364; 11.4687 90; 90; 120 | 505.83 | Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12 Chemistry of Materials, 2009, 21, 1654 |
| 4001016 | CIF | O12 Se2 Tl V3 | P 63 | 7.1248; 7.1248; 11.4287 90; 90; 120 | 502.43 | Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12 Chemistry of Materials, 2009, 21, 1654 |
| 4001366 | CIF | C12 H27 S3 Sb | P 63 | 10.343; 10.343; 9.756 90; 90; 120 | 903.85 | Castro, Jorge Rodriguez-; Dale, Phillip; Mahon, Mary F.; Molloy, Kieran C.; Peter, Laurie M. Deposition of Antimony Sulfide Thin Films from Single-Source Antimony Thiolate Precursors Chemistry of Materials, 2007, 19, 3219 |
| 4002417 | CIF | I9 Mo6 S0.063 | P 63 | 16.41; 16.41; 11.9154 90; 90; 120 | 2778.79 | Paglia, G.; Bozin, E.S.; Vengust, D.; Mihailovic, D.; Billinge, S.J.L. Accurate structure determination of Mo6 S(y) I(z) nanowires from atomic pair distribution function (PDF) analysis Chemistry of Materials (1,1989-), 2006, 18, 100-106 |
| 4002671 | CIF | C24 H92 Ca Cu6 N6 O53 | P 63 | 17.6943; 17.6943; 13.2921 90; 90; 120 | 3604.1 | Grancha, Thais; Ferrando-Soria, Jesús; Cano, Joan; Amorós, Pedro; Seoane, Beatriz; Gascon, Jorge; Bazaga-García, Montse; Losilla, Enrique R.; Cabeza, Aurelio; Armentano, Donatella; Pardo, Emilio Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting ChiralbioMOF Chemistry of Materials, 2016, 28, 4608 |
| 4002832 | CIF | Bi12.67 I2 S18 | P 63 | 15.612; 15.612; 4.0168 90; 90; 120 | 847.9 | Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E. Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures Chemistry of Materials, 2017 |
| 4002835 | CIF | Al4 Na3.49 O16 Si4 | P 63 | 9.9762; 9.9762; 8.34957 90; 90; 120 | 719.66 | Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials, 2017, 29, 6552-6559 |
| 4002979 | CIF | C3 H0 Br Cs0 Lu8 N0 O25 Zn0 | P 63 | 9.344; 9.344; 14.498 90; 90; 120 | 1096.2 | Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2019, 31, 2130 |
| 4002980 | CIF | C3 H0 Br Cs0 N0 O25 Y8 Zn0 | P 63 | 9.4927; 9.4927; 14.752 90; 90; 120 | 1151.2 | Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2019, 31, 2130 |
| 4002981 | CIF | C3 Cl Lu8 O25 | P 63 | 9.354; 9.354; 14.415 90; 90; 120 | 1092.3 | Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2019, 31, 2130 |
| 4002982 | CIF | C3 H15 Cl O25 Y8 | P 63 | 9.5353; 9.5353; 14.729 90; 90; 120 | 1159.8 | Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2019, 31, 2130 |
| 4003330 | CIF | B Ba Be2 F3 O3 | P 63 | 7.6279; 7.6279; 13.99 90; 90; 120 | 705 | Guo, Shu; Jiang, Xingxing; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞Layers and Short Phase-Matching Wavelength Chemistry of Materials, 2016, 28, 8871 |
| 4003448 | CIF | C10 H18 Cd N4 S3 | P 63 | 9.3596; 9.3596; 10.7347 90; 90; 120 | 814.4 | He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution Chemistry of Materials, 2019 |
| 4003452 | CIF | C81 H180 Br19 N9 Pb3 Zn2 | P 63 | 14.9238; 14.9238; 30.6972 90; 90; 120 | 5920.9 | Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties Chemistry of Materials, 2019 |
| 4003518 | CIF | F Lu3 O12 Se4 | P 63 | 9.883; 9.883; 7.066 90; 90; 120 | 597.7 | 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 |
| 4021984 | CIF | C75 H69 N3 | P 63 | 32.199; 32.199; 12.957 90; 90; 120 | 11634 | Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence Journal of Organic Chemistry, 2006, 71, 7858-7861 |
| 4023603 | CIF | C27 H36 O9 | P 63 | 23.975; 23.975; 9.5693 90; 90; 120 | 4763.5 | Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol Journal of Organic Chemistry, 2008, 73, 6172-6181 |
| 4029281 | CIF | C69 H57 N15 | P 63 | 19.986; 19.986; 8.8105 90; 90; 120 | 3047.8 | Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics. The Journal of organic chemistry, 2014, 79, 3559-3571 |
| 4031426 | CIF | Al H14 I5 O21 | P 63 | 16.107; 16.107; 12.378 90; 90; 120 | 2781.06 | Cradwick, P.D.; de Endredy, A.S. Crystal Structure of Aluminium Iodate-Hydrogen Iodate-Water (1/1/6) and Preparation of Anhydrous Aluminium Iodate Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1977, 1977, 146-149 |
| 4031433 | CIF | Br K3 O12 S3 Sn2 | P 63 | 10.256; 10.256; 7.582 90; 90; 120 | 690.67 | Donaldson, J.D.; Grimes, S.M. Novel tin(II) sites in X-ray crystal structures of the Tin(II) halide sulphates K3 Sn2 (S O4)3 X (X= Br or Cl) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 1301-1305 |
| 4031434 | CIF | Cl K3 O12 S3 Sn2 | P 63 | 10.183; 10.183; 7.54 90; 90; 120 | 677.101 | Donaldson, J.D.; Grimes, S.M. Novel tin(II) sites in X-ray crystal structures of the tin(II) halide sulphates K3 Sn2 (S O4)3 X (X= Br or Cl) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1984, 1984, 1301-1305 |
| 4031512 | CIF | K3.0001 O3 S3 Sn1.9999 | P 63 | 10.23; 10.23; 7.56 90; 90; 120 | 685.178 | Howie, R.A.; Moser, W.; Starks, R.G.; Woodhams, F.W.D.; Parker, W. Potassium Tin(II) Sulphate and Related Tin Apatites. Moessbauer and X-Ray Studies Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1973, 1973, 1478-1484 |
| 4031572 | CIF | Bi8 Cl8 Ga2 | P 63 | 17.76; 17.76; 12.979 90; 90; 120 | 3545.34 | Lindsjoe, M.; Fischer, A.; Kloo, L. Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3 European Journal of Inorganic Chemistry, 2005, 2005, 670-675 |
| 4031801 | CIF | C12 Br Co3 O12 Sn | P 63 | 10.2; 10.2; 11.81 90; 90; 120 | 1064.1 | Ball, R.D.; Hall, D. The crystal structure of Bromotris(tetracarbonylcobalt) tin(IV) Journal of Organometallic Chemistry, 1973, 52, 293-295 |
| 4034756 | CIF | C22 H11 N O6 | P 63 | 15.7405; 15.7405; 11.9054 90; 90; 120 | 2554.53 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids. The Journal of organic chemistry, 2018, 83, 15426-15437 |
| 4035431 | CIF | C22 H36.67 O5.33 | P 63 | 15.0636; 15.0636; 15.9737 90; 90; 120 | 3139.02 | Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B. Directed C-H Bond Oxidation of (+)-Pleuromutilin. The Journal of organic chemistry, 2018, 83, 6843-6892 |
| 4062675 | CIF | C21 H15 N3 O9 Os3 | P 63 | 18.545; 18.545; 12.621 90; 90; 120 | 3759.1 | Organometallics, 2004 |
| 4063335 | CIF | C180 H150 La2 O12 P6 | P 63 | 31.7444; 31.7444; 25.393 90; 90; 120 | 22160 | Xianghua Yu; Tobin J. Marks Organophosphine Oxide/Sulfide-Substituted Lanthanide Binaphtholate Catalysts for Enantioselective Hydroamination/Cyclization Organometallics, 2007, 26, 365-376 |
| 4064029 | CIF | C78 H75 Cl Ge4 | P 63 | 18.6792; 18.6792; 9.874 90; 90; 120 | 2983.6 | Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S. Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)† Organometallics, 2011, 30, 1046 |
| 4064030 | CIF | C72 H63 Br Ge4 | P 63 | 18.6599; 18.6599; 10.0541 90; 90; 120 | 3031.7 | Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S. Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)† Organometallics, 2011, 30, 1046 |
| 4065852 | CIF | C234 H270 K6 Mn6 O18 | P 63 | 19.125; 19.125; 32.076 90; 90; 120 | 10160 | Crisp, Jeffrey A.; Meier, Ryan M.; Overby, Jason S.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W. Indenyl Complexes of Manganese(II). Conformational Flexibility of the Manganese(II)−(RnC9H7−n) Bond Organometallics, 2010, 29, 2322 |
| 4066281 | CIF | C59 H92 N6 O3 Zr | P 63 | 24.5106; 24.5106; 18.9897 90; 90; 120 | 9880 | Leitch, David C.; Schafer, Laurel L. Zirconium Alkyl Complexes Supported by Ureate Ligands: Synthesis, Characterization, and Precursors to Metal−Element Multiple Bonds† Organometallics, 2010, 29, 5162 |
| 4067935 | CIF | C19 H45 Cl3 P3 Ru Si | P 63 | 11.7497; 11.7497; 10.9259 90; 90; 120 | 1306.3 | Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L. Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos) Organometallics, 2012, 31, 775 |
| 4077624 | CIF | C84 H84 Na3 O12 Yb | P 63 | 15.1044; 15.1044; 18.419 90; 90; 120 | 3639.2 | Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters! Organometallics, 2000, 19, 5416 |
| 4077625 | CIF | C84 H84 La Na3 O13 | P 63 | 15.2581; 15.2581; 18.207 90; 90; 120 | 3670.9 | Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters! Organometallics, 2000, 19, 5416 |
| 4078132 | CIF | C47 H69 Fe2 S3 Si3 | P 63 | 24.6933; 24.6933; 13.8075 90; 90; 120 | 7291.3 | Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines Organometallics, 2012, 31, 2953 |
| 4086113 | CIF | C31 H29 O Y | P 63 | 11.6507; 11.6507; 10.0984 90; 90; 120 | 1187.1 | Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion Organometallics, 2015, 34, 3909 |
| 4086235 | CIF | C31 H29 Dy O | P 63 | 11.6494; 11.6494; 10.0857 90; 90; 120 | 1185.34 | Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J. Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion Organometallics, 2015, 34, 3909 |
| 4088770 | CIF | C55 H45 Ni O P3 | P 63 | 18.4755; 18.4755; 9.9813 90; 90; 120 | 2950.6 | John, Alex; Miranda, Maria O.; Ding, Keying; Dereli, Büsra; Ortuño, Manuel A.; LaPointe, Anne M.; Coates, Geoffrey W.; Cramer, Christopher J.; Tolman, William B. Nickel Catalysts for the Dehydrative Decarbonylation of Carboxylic Acids to Alkenes Organometallics, 2016, 35, 2391 |
| 4100769 | CIF | C132 H234 O21 P12 Pt6 | P 63 | 26.4164; 26.4164; 13.6104 90; 90; 120 | 8225.2 | Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly Journal of the American Chemical Society, 2004, 126, 2464-2473 |
| 4100770 | CIF | C140 H218 Cl6 O12 P12 Pt6 | P 63 | 26.2312; 26.2312; 14.5061 90; 90; 120 | 8644.1 | Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly Journal of the American Chemical Society, 2004, 126, 2464-2473 |
| 4101633 | CIF | C36 H30 I9 N9 O6 Pb3 | P 63 | 20.1518; 20.1518; 7.9277 90; 90; 120 | 2788.1 | Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture. Journal of the American Chemical Society, 2010, 132, 18-19 |
| 4101634 | CIF | C36 H30 Br3 I9 N6 Pb3 | P 63 | 20.028; 20.028; 8.0181 90; 90; 120 | 2785.3 | Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture. Journal of the American Chemical Society, 2010, 132, 18-19 |
| 4101635 | CIF | C12 H10 Cl I3 N2 Pb | P 63 | 20.025; 20.025; 7.975 90; 90; 120 | 2769.5 | Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture. Journal of the American Chemical Society, 2010, 132, 18-19 |
| 4101636 | CIF | C36 H30 F3 I9 N6 Pb3 | P 63 | 19.9426; 19.9426; 7.8618 90; 90; 120 | 2707.8 | Zhao, Hai-Rong; Li, Dong-Ping; Ren, Xiao-Ming; Song, You; Jin, Wan-Qin Larger spontaneous polarization ferroelectric inorganic-organic hybrids: [PbI3](infinity) chains directed organic cations aggregation to Kagomé-shaped tubular architecture. Journal of the American Chemical Society, 2010, 132, 18-19 |
| 4102681 | CIF | C3 H7 N O6 Zn | P 63 | 12.5919; 12.5919; 8.2015 90; 90; 120 | 1126.18 | Guan-Cheng Xu; Xiao-Ming Ma; Li Zhang; Zhe-Ming Wang; Song Gao Disorder-Order Ferroelectric Transition in the Metal Formate Framework of [NH4][Zn(HCOO)3] Journal of the American Chemical Society, 2010, 132, 9588-9590 |
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