Crystallography Open Database
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Searching space group like 'P 3 1 c'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000029 | CIF | Al2.7 N15.1 O0.9 Si9.3 Y0.5 | P 3 1 c | 7.82927; 7.82927; 5.70757 90; 90; 120 | 303 | Izumi, F.; Mitomo, M.; Bando, Y. Rietveld refinements for calcium and yttrium containing α-sialons Journal of Materials Science, 1984, 19, 3115-3120 |
| 1001066 | CIF | Ba Ge3.125 O9 Si0.875 | P 3 1 c | 11.595; 11.595; 9.755 90; 90; 120 | 1135.8 | Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee Materials Research Bulletin, 1973, 8, 1205-1214 |
| 1001238 | CIF | N4 Si3 | P 3 1 c | 7.7523; 7.7523; 5.6198 90; 90; 120 | 292.5 | Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin, 1983, 18, 921-934 |
| 1001239 | CIF | N4 Si3 | P 3 1 c | 7.766; 7.766; 5.6297 90; 90; 120 | 294 | Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin, 1983, 18, 921-934 |
| 1001240 | CIF | N4 Si3 | P 3 1 c | 7.7696; 7.7696; 5.6318 90; 90; 120 | 294.4 | Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin, 1983, 18, 921-934 |
| 1001241 | CIF | N4 Si3 | P 3 1 c | 7.7809; 7.7809; 5.6407 90; 90; 120 | 295.7 | Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin, 1983, 18, 921-934 |
| 1001242 | CIF | N4 Si3 | P 3 1 c | 7.7853; 7.7853; 5.6431 90; 90; 120 | 296.2 | Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin, 1983, 18, 921-934 |
| 1001243 | CIF | N4 Si3 | P 3 1 c | 7.791; 7.791; 5.6492 90; 90; 120 | 297 | Billy, M; Labbe, J C; Selvaraj, A; Roult, G Modifications structurales du nitrure de silicium en fonction de la temperature Materials Research Bulletin, 1983, 18, 921-934 |
| 1007248 | CIF | Ba Cs4 O18 P6 | P 3 1 c | 11.549; 11.549; 9.114 90; 90; 120 | 1052.8 | Averbuch-Pouchot, M T; Durif, A Structure of monobarium tetracaesium polyphosphate Acta Crystallographica C (39,1983-), 1986, 42, 928-930 |
| 1507529 | CIF | C22 H24 | P 3 1 c | 18.995; 18.995; 7.835 90; 90; 120 | 2448.2 | Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters, 2001, 3, 3305 |
| 1520837 | CIF | Al2 Ca6 D63.8 O49.9 S3 | P 3 1 c | 11.167; 11.167; 21.3603 90; 90; 120 | 2306.81 | Berliner, R. The structure of ettringite Materials Science of Concrete - The Sidney Diamond Symposium, 1998, 1998, 127-141 |
| 1521328 | CIF | Na2 O7 V3 | P 3 1 c | 10.886; 10.886; 9.538 90; 90; 120 | 978.869 | Millet, P.; Henry, J.Y.; Galy, J.; Mila, F. Vanadium(IV)-oxide nanotubes: crystal structure of the low-dimensional quantum magnet Na2 V3 O7 Journal of Solid State Chemistry, 1999, 147, 676-678 |
| 1524095 | CIF | Br4 Se | P 3 1 c | 10.2; 10.2; 30.351 90; 90; 120 | 2734.66 | Born, P.; Mootz, D.; Kniep, R. Phasenbeziehungen im System Se-Br und die Kristallstrukturen des dimorphen Se Br4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 451, 12-24 |
| 1524455 | CIF | B10 H4 O20 Pb3 | P 3 1 c | 10.0935; 10.0935; 8.5388 90; 90; 120 | 753.375 | Grube, H.H. Die Struktur des (Pb O)3 (B2 O3)5 (H2 O)2 Fortschritte der Mineralogie, Beiheft, 1981, 59, 58-59 |
| 1524948 | CIF | Fe3 H23.998 N O29.997 P6 | P 3 1 c | 9.151; 9.151; 16.862 90; 90; 120 | 1222.86 | Moore, P.B.; Araki, T. Crystal structure of synthetic (N H4) H8 Fe3 (P O4)6 (H2 O)6 American Mineralogist, 1979, 64, 587-592 |
| 1528592 | CIF | Ba Co4 O6.95 Yb | P 3 1 c | 6.26539; 6.26539; 10.22812 90; 90; 120 | 347.714 | Huq, A.; Mitchell, J.F.; Radaelli, P.G.; Zheng, H.; Chapon, L.C.; Stephens, P.W.; Knight, K.S. Structural and magnetic properties of the Kagome antiferromagnet Yb Ba Co4 O7 Journal of Solid State Chemistry, 2006, 179, 1136-1145 |
| 1529015 | CIF | O Ti6 | P 3 1 c | 5.14; 5.14; 9.48 90; 90; 120 | 216.903 | Yamaguchi, S.; Koiwa, M.; Hirabayashi, M. Interstitial Superlattice of = Ti6 O = and its Transformation Journal of the Physical Society of Japan, 1966, 21, 2096-2096 |
| 1529984 | CIF | Hg I4 K2 | P 3 1 c | 11.67; 11.67; 7.48 90; 90; 120 | 882.214 | Gerken, V.A.; Pakhomov, V.I. Roentgenographical study of cristals in system K I-Hg I2-H2 O Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1969, 10, 753-754 |
| 1530799 | CIF | C H4.96 Al6 Ge6 Na8 O29.48 | P 3 1 c | 12.913; 12.913; 10.493 90; 90; 120 | 1515.25 | Sokolov, Yu.A.; Ilyukhin, V.V.; Maksimov, B.A.; Belov, N.V. Crystal structure of a new Na-Al germanate Na8 Al6 Ge6 O24 C O3 (H2 O)2 Doklady Akademii Nauk SSSR, 1977, 237, 585-588 |
| 1530800 | CIF | C H3.28 Al6 Ge6 Na8 O28.64 | P 3 1 c | 12.869; 12.869; 10.45 90; 90; 120 | 1498.78 | Sokolov, Yu.A.; Maksimov, B.A.; Ilyukhin, V.V.; Belov, N.V. The low temperature determination of the crystal structure of sodium alumogermanate Na8 Al6 Ge6 O24 (C O3) (H2 O)3 Doklady Akademii Nauk SSSR, 1978, 243, 113-115 |
| 1531120 | CIF | C2 H Na O7 Pb2 | P 3 1 c | 5.268; 5.268; 13.48 90; 90; 120 | 323.975 | Belokoneva, E.L.; Al'-Ama, A.G.; Dimitrova, O.V.; Kurazhkovskaya, V.S.; Stefanovich, S.Yu. Synthesis and crystal structure of new carbonate Na Pb2 (C O3)2 (O H) Kristallografiya, 2002, 47, 253-258 |
| 1531121 | CIF | B10 H4 O20 Pb3 | P 3 1 c | 10.07; 10.07; 8.53 90; 90; 120 | 749.098 | Belokoneva, E.L.; Dimitrova, O.V.; Borisova, T.A.; Stefanovich, S.Yu. New nonlinear-optical Pb3 (O H) (B9 O16) (B (O H)3) crystal with the zeolite-like nonaborate framework, its place in systematization, and structure-genetic relation to Pb B4 O7 Zhurnal Neorganicheskoi Khimii, 2001, 46, 1788-1794 |
| 1531421 | CIF | Al2.17 N14.85 Nd0.34 O1.15 Si9.83 | P 3 1 c | 7.8137; 7.8137; 5.6935 90; 90; 120 | 301.039 | Herrmann, M.; Kurama, S.; Mandal, H. Investigation of the phase composition and stability of the alpha-(Si Al O N)s by the Rietveld method Journal of the European Ceramic Society, 2002, 22, 2997-3005 |
| 1531424 | CIF | Al2.09 N14.93 O1.07 Si9.91 Y0.34 | P 3 1 c | 7.8106; 7.8106; 5.6935 90; 90; 120 | 300.801 | Herrmann, M.; Kurama, S.; Mandal, H. Investigation of the phase composition and stability of the alpha-(Si Al O N)s by the Rietveld method Journal of the European Ceramic Society, 2002, 22, 2997-3005 |
| 1533425 | CIF | O12 Rb2 Te W3 | P 3 1 c | 7.298; 7.298; 12.064 90; 90; 120 | 556.455 | Goodey, J.; Escobedo, F.V.; Ok, K.M.; Broussard, J.; Hofmann, C.; Halasyamani, P.S. Syntheses, structures and second-harmonic generating properties in new quaternary tellurites: A2 Te W3 O12 (A = K, Rb or Cs) Journal of Solid State Chemistry, 2003, 175, 3-12 |
| 1533473 | CIF | Al3 Li N14 O2 Si9 | P 3 1 c | 7.8277; 7.8277; 5.6909 90; 90; 120 | 301.981 | Grins, J.; Esmaeilzadeh, S.; Shen Zhijian Structures of filled alpha-(Si3N4)-type Ca0.27 La0.03 Si11.38 Al0.62 N16 and Li Si9 Al3 O2 N14 Journal of the American Ceramic Society, 2003, 86, 727-730 |
| 1534730 | CIF | Al0.62 Ca0.27 La0.03 N16 Si11.38 | P 3 1 c | 7.838; 7.838; 5.703 90; 90; 120 | 303.42 | Grins, J.; Esmaeilzadeh, S.; Shen Zhijian Structures of filled alpha-(Si3 N4)-type Ca0.27 La0.03 Si11.38 Al0.62 N16 and Li Si9 Al3 O2 N14 Journal of the American Ceramic Society, 2003, 86, 727-730 |
| 1536632 | CIF | Al5.88 Ca0.94 Cl0.48 H0.96 Na6.4 O24.48 S3.54 Si6.12 | P 3 1 c | 12.859; 12.859; 10.697 90; 90; 120 | 1531.82 | Pobedimskaya, E.A.; Terent'eva, L.E.; Kashaev, A.A.; Sapozhnikov, A.N.; Dorokhova, G.I. Crystal structure of bystrite Doklady Akademii Nauk SSSR, 1991, 319, 873-878 |
| 1539628 | CIF | Al24 Ca10 Cl5.8 F0.18 K4.72 Na17.28 O120 S6 Si24 | P 3 1 c | 12.8013; 12.8013; 21.4119 90; 90; 120 | 3038.74 | Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S. Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si, Al ordering European Journal of Mineralogy (1,1989-), 1997, 9, 21-30 |
| 1540780 | CIF | Al0.89 H5 N0.333333 O10 P2 | P 3 1 c | 8.905; 8.905; 16.488 90; 90; 120 | 1132.31 | Yakubovich, O.V.; Dadashov, M.S. Crystal sructure of low-temperature aluminium phosphate (N H4)0.33 Al0.89 (H P O4) (H2 P O4) (H2 O) Kristallografiya, 1988, 33, 848-853 |
| 1540931 | CIF | C5 Al3 Zr2 | P 3 1 c | 3.3445; 3.3445; 22.23 90; 90; 120 | 215.344 | Schuster, J.C.; Nowotny, H. Investigations of the ternary systems (Zr, Hf, Nb, Ta) - Al - C and studies on complex carbides Journal of the Less-Common Metals, 1980, 71, 341-346 |
| 1540932 | CIF | Al2 N2 Ti3 | P 3 1 c | 2.9875; 2.9875; 23.35 90; 90; 120 | 180.482 | Schuster, J.C.; Bauer, J. The ternary system titanium-aluminum-nitrogen Journal of Solid State Chemistry, 1984, 53, 260-265 |
| 1541877 | CIF | C12 H36 As2 Cl9 N3 | P 3 1 c | 9.2199; 9.2199; 21.065 90; 90; 120 | 1550.76 | Wojtas, M.; Bator, G.; Ciunik, Z. Crystal structure, phase transition and ferroelastic properties of (N (C H3)4)3 (As2 Cl9) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 407-412 |
| 1546239 | CIF | C21 H20 N2 | P 3 1 c | 18.6655; 18.6655; 8.1126 90; 90; 120 | 2447.8 | Zhu, Zhengbo; Seidel, Daniel Acetic Acid Promoted Redox Annulations with Dual C-H Functionalization. Organic letters, 2017, 19, 2841-2844 |
| 1553590 | CIF | C49 H64 | P 3 1 c | 14.154; 14.154; 12.123 90; 90; 120 | 2103.3 | Prenzel, Dominik; Kirschbaum, Rolf W.; Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Drewello, Thomas; Tykwinski, Rik R. Polymerization of acetylene: polyynes, but not carbyne Organic Chemistry Frontiers, 2017, 4, 668 |
| 1553683 | CIF | C9 H4 N2 O4 Y0.33 | P 3 1 c | 12.8501; 12.8501; 15.709 90; 90; 120 | 2246.4 | Liu, Kang; Li, Xu; Ma, Dingxuan; Han, Yi; Li, Baiyan; Shi, Zhan; Li, Zhenjiang; Wang, Lei A microporous yttrium metal‒organic framework of an unusual nia topology for high adsorption selectivity of C2H2and CO2over CH4at room temperature Materials Chemistry Frontiers, 2017, 1, 1982 |
| 1558621 | CIF HKL Paper | C93 H138 I Mo3 N3 S13 | P 3 1 c | 23.6627; 23.6627; 10.9815 90; 90; 120 | 5325 | Chen, Yueli; Wang, Bo; Fontenot, Patricia; Donahue, James P. Tris[<i>N</i>,<i>N</i>-bis(3,5-di-<i>tert</i>-butylbenzyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']-μ~3~-sulfido-tris-μ~2~-disulfido-<i>triangulo</i>-trimolybdenum(IV) iodide IUCrData, 2020, 5, x200939 |
| 1561597 | CIF | Na3 O7 Si2 Yb | P 3 1 c | 16.2081; 16.2081; 13.7077 90; 90; 120 | 3118.6 | Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad Synthesis, structure, and polymorphism of A3LnSi2O7 (A=Na, K; Ln=Sm, Ho, Yb) Journal of Solid State Chemistry, 2016, 235, 100-106 |
| 1564527 | CIF | Ca6 Cr2 H64 O50 S3 | P 3 1 c | 11.1615; 11.1615; 21.63017 90; 90; 120 | 2333.65 | Yurii V. Seryotkin; Ella V. Sokol; Svetlana N. Kokh; Victor V. Sharygin Natural bentorite-Cr3+ derivate of ettringite: determination of crystal structure Physics and Chemistry of Minerals, 2019, 46, 553-570 |
| 1564528 | CIF | C0.499 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75 | P 3 1 c | 11.1927; 11.1927; 21.7121 90; 90; 120 | 2355.6 | Juroszek, Rafał; Krüger, Biljana; Galuskina, Irina; Krüger, Hannes; Tribus, Martina; Kürsten, Christian Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O Minerals, 2019, 10, 38 |
| 1566237 | CIF | As3 Mn S6 Tl | P 3 1 c | 9.6392; 9.6392; 6.456 90; 90; 120 | 519.49 | Anatoly V. Kasatkin; E Makovicky; Jakub Plasil; Radek Skoda; Nikita V. Chukanov; Sergey Y. Stepanov; Atali A. Agakhanov; Fabrizio Nestola Gladkovskyite, MnTlAs3S6, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia Journal of GeoSciences, 2019, 64, 207-218 |
| 1566610 | CIF | Cl Ga6 K3 Mn2 S12 | P 3 1 c | 10.9208; 10.9208; 6.1774 90; 90; 120 | 638.04 | Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions. Materials horizons, 2022, 9, 1513-1517 |
| 1569713 | CIF | C36 H23 Cl N6 O12 Ru | P 3 1 c | 16.0468; 16.0468; 9.8253 90; 90; 120 | 2191.06 | Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion. Chemical science, 2023, 14, 9780-9786 |
| 2002167 | CIF | Cl7 Re3 S7 | P 3 1 c | 8.9983; 8.9983; 22.493 90; 90; 120 | 1577.2 | Beck, J; Mueller-Buschbaum, K Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3 E7 X7 (E= S, Se; X= Cl, Br) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1212-1216 |
| 2002168 | CIF | Br7 Re3 S7 | P 3 1 c | 9.2635; 9.2635; 23.45219 90; 90; 120 | 1742.9 | Beck, J; Mueller-Buschbaum, K Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3 E7 X7 (E= S, Se; X= Cl, Br) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1212-1216 |
| 2002169 | CIF | Br7 Re3 Se7 | P 3 1 c | 9.476; 9.476; 23.79599 90; 90; 120 | 1850.5 | Beck, J; Mueller-Buschbaum, K Synthese und Kristallstrukturen der Rhenium-Dreieckscluster Re3 E7 X7 (E= S, Se; X= Cl, Br) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1212-1216 |
| 2002880 | CIF | Ba6 Ga7 K O21 Zn4 | P 3 1 c | 10.79; 10.79; 11.822 90; 90; 120 | 1192 | Scheikowski, M; Mueller-Buschbaum, Hk Zur Kenntnis eines Kalium-Barium-Oxogallat/-zinkats KBa6Ga7Zn4O21 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 155-159 |
| 2007188 | CIF Paper | C15 H36 Cu I N6 S3 | P 3 1 c | 12.686; 12.686; 9.314 90; 90; 120 | 1298.1 | Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I) Acta Crystallographica Section C, 1998, 54, 453-456 |
| 2007189 | CIF Paper | C15 H36 Ag I N6 S3 | P 3 1 c | 12.792; 12.792; 9.335 90; 90; 120 | 1322.9 | Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I) Acta Crystallographica Section C, 1998, 54, 453-456 |
| 2008452 | CIF Paper | C24 H27 Cl2 Mn N7 O8 | P 3 1 c | 10.068; 10.068; 16.728 90; 90; 120 | 1468.5 | Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying [Tris(2-pyridyl-κ<i>N</i>-methyleneamino-κ<i>N</i>-ethyl)amine-κ<i>N</i>]manganese(II) diperchlorate Acta Crystallographica Section C, 1999, 55, 742-744 |
| 2014261 | CIF HKL Paper | C6 H16 Cl N | P 3 1 c | 8.2542; 8.2542; 6.9963 90; 90; 120 | 412.809 | Churakov, Andrei V.; Howard, Judith A. K. Redetermination of triethylammonium chloride in the space group <i>P</i>31<i>c</i> Acta Crystallographica Section C, 2004, 60, o557-o558 |
| 2015439 | CIF HKL Paper | C20 H18 Cl N O S2 | P 3 1 c | 36.2171; 36.2171; 7.6695 90; 90; 120 | 8712.14 | Hartung, Jens; Schwarz, Michaela; Paulus, Erich F.; Svoboda, Ingrid; Fuess, Hartmut 4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)-1,3-thiazole-2(3<i>H</i>)-thione Acta Crystallographica Section C, 2006, 62, o386-o388 |
| 2100902 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.4021; 5.4021; 9.175 90; 90; 120 | 231.88 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
| 2100903 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.423; 5.423; 9.161 90; 90; 120 | 233.32 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
| 2100904 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.438; 5.438; 9.16 90; 90; 120 | 234.59 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
| 2100905 | CIF Paper | Cr Li O4 Rb | P 3 1 c | 5.453; 5.453; 9.151 90; 90; 120 | 235.65 | Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S. Structure and twinning of RbLiCrO~4~ crystals Acta Crystallographica Section B, 1993, 49, 19-28 |
| 2101297 | CIF Paper | C16 H18 O | P 3 1 c | 13.9232; 13.9232; 12.02 90; 90; 120 | 2018 | Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B, 1995, 51, 367-377 |
| 2101513 | CIF Paper | C29 H29 Ta | P 3 1 c | 12.681; 12.681; 16.124 90; 90; 120 | 2245.5 | Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C. A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning' Acta Crystallographica Section B, 1996, 52, 465-470 |
| 2102313 | CIF Paper | C33 H27 N9 O4 Re2 | P 3 1 c | 12.878; 12.878; 10.938 90; 90; 120 | 1570.96 | Marsh, Richard E. Space group <i>Cc</i>: an update Acta Crystallographica Section B, 2004, 60, 252-253 |
| 2104479 | CIF Paper | C24 H30 N3 P | P 3 1 c | 13.085; 13.085; 14.672 90; 90; 120 | 2175.5 | 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 |
| 2106021 | CIF HKL Paper | Li Na O4 S | P 3 1 c | 7.6281; 7.6281; 9.8562 90; 90; 120 | 496.68 | Karppinen, Markku Crystal structure, atomic net charges and electric moments in pyroelectric LiNaSO~4~ at 296K Acta Crystallographica Section B, 2015, 71, 334-341 |
| 2106872 | CIF | H6 K Na O6 Te | P 3 1 c | 6.55; 6.55; 8.98 90; 90; 120 | 333.649 | Daniel, F.; Moret, J.; Maurin, M.; Philippot, E. Etude du tellurite mixte de sodium et de potassium a trois molecules d'eau: Na K Te O3 (H2 O)3 Acta Crystallographica B (24,1968-38,1982), 1982, 38, 703-706 |
| 2106928 | CIF | Sr | P 3 1 c | 6.646; 6.646; 5.226 90; 90; 120 | 199.904 | Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K. Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process Acta Crystallographica B (39,1983-), 1993, 49, 929-936 |
| 2107035 | CIF | Cd Cl6 H24 Mg2 O12 | P 3 1 c | 9.9809; 9.9809; 11.556 90; 90; 120 | 996.96 | Ledésert, M.; Monier, J. C. Structure de l'hexachlorure de cadmium et dimagnésium dodécahydraté Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1981, 37, 652-654 |
| 2205704 | CIF HKL Paper | C21 H30 Cl2 Co N10 O8 | P 3 1 c | 10.8349; 10.8349; 14.6028 90; 90; 120 | 1484.62 | Chen, Hong-Mei; Yang Shi-Ping; Chen, Qiong-Qiong; Zhang, Fan; Chen Jia-Min; Yu, Xi-Bin Tris({2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)cobalt(II) diperchlorate Acta Crystallographica Section E, 2005, 61, m1001-m1003 |
| 2211966 | CIF Paper | Ba H16 N4 O18 P6 | P 3 1 c | 11.1936; 11.1936; 8.9393 90; 90; 120 | 970 | Ivashkevich, Ludmila S.; Selevich, Anatoly F.; Lesnikovich, Anatoly I.; Lyakhov, Alexander S. Powder diffraction study of Ba(NH~4~)~4~(PO~3~)~6~ Acta Crystallographica, Section E, 2007, 63, m16-m18 |
| 2219970 | CIF HKL Paper | C6 H16 Br N | P 3 1 c | 8.3589; 8.3589; 7.3125 90; 90; 120 | 442.481 | Munro, Natasha H.; Hanton, Lyall R. A redetermination at low temperature of the structure of triethylammonium bromide Acta Crystallographica Section E, 2008, 64, o2236 |
| 2230966 | CIF HKL Paper | C21 H17.5 N3 O14.75 Tb | P 3 1 c | 13.0115; 13.0115; 9.4142 90; 90; 120 | 1380.3 | Zebret, Soumaila; Besnard, Céline; Hamacek, Josef Tris(6-carboxypyridine-2-carboxylato)terbium(III) 2.75-hydrate Acta Crystallographica Section E, 2011, 67, m968-m969 |
| 2237729 | CIF HKL Paper | C6 H15 Br N3 Na O3 | P 3 1 c | 8.0491; 8.0491; 8.8953 90; 90; 120 | 499.1 | Reiss, Guido J.; Hegetschweiler, Kaspar Poly[[(μ~4~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol)sodium] bromide] Acta Crystallographica Section E, 2013, 69, m185-m186 |
| 2240151 | CIF HKL Paper | C30 H39 O3 Se3 Tm | P 3 1 c | 15.277; 15.277; 7.8708 90; 90; 120 | 1590.8 | Takaluoma, Esther M.; Oilunkaniemi, Raija; Lehmann, Christian W.; Laitinen, Risto S. Crystal structure of tris(phenylselenolato-κ<i>Se</i>)tris(tetrahydrofuran-κ<i>O</i>)thulium(III) Acta Crystallographica Section E, 2014, 70, m389 |
| 2310658 | CIF | N4 Si3 | P 3 1 c | 7.753; 7.753; 5.618 90; 90; 120 | 292.45 | Ruddlesden, S.N.; Popper, P. On the crystal structures of the nitrides of silicon and germanium Acta Crystallographica (1,1948-23,1967), 1958, 11, 465-468 |
| 3000054 | On hold until 2016-09-01 | Al6 Ca0.92 Cl1.02 Na7.21 O24 S4.82 Si6 | P 3 1 c | 12.8527; 12.8527; 10.6907 90; 90; 120 | 1529.42 | Anatoly Sapozhnikov; Ekaterina Kaneva; Ludmila Suvorova; Valery Levitsky; Larisa Ivanova Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group mineral with unusual extra-framework anions To be published in Mineralogical Magazine |
| 3000055 | On hold until 2016-09-12 | Al6 Ca0.92 K1.99 Na5.1 O24 S5.54 Si6 | P 3 1 c | 12.9567; 12.9567; 10.7711 90; 90; 120 | 1565.96 | Anatoly Sapozhnikov; Ekaterina Kaneva; Ludmila Suvorova; Valery Levitsky; Larisa Ivanova Sulfhydrylbystrite, Na5K2Ca(Al6Si6O24)(S5)(SH), a new cancrinite-group mineral with unusual extra-framework anions To be published in Mineralogical Magazine |
| 4000180 | CIF | Dy0.62 Ga5.25 Ge Ni2 | P 3 1 c | 7.2536; 7.2536; 18.308 90; 90; 120 | 834.23 | Chemistry of Materials, 2002 |
| 4000527 | CIF | Ag Se27 Ti6 Tl5 | P 3 1 c | 12.951; 12.951; 13.821 90; 90; 120 | 2007.6 | Chemistry of Materials, 2005 |
| 4003322 | CIF | C387 H291 Cl5 Cu29 N24 | P 3 1 c | 22.4465; 22.4465; 38.2453 90; 90; 120 | 16688.1 | Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W. Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster Chemistry of Materials, 2016, 28, 8385 |
| 4028228 | CIF | C30 H66 P2 Pd | P 3 1 c | 9.7244; 9.7244; 20.4524 90; 90; 120 | 1674.94 | Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction Journal of Organic Chemistry, 2013, 78, 4649-4664 |
| 4031210 | CIF | Br6 Cl8 Cs2 W6 | P 3 1 c | 10.07; 10.07; 14.75 90; 90; 120 | 1295.33 | Healy, P.C.; Kepert, D.L.; Taylor, D.; White, A.H. Crystal structure of dicesium octa-mue3-chloro-hexachloro-octahedro-hexa-tungstate(II) and -molybdate(II) complexes Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1973, 1973, 646-650 |
| 4031211 | CIF | Br6 Cl8 Cs2 Mo6 | P 3 1 c | 10.06; 10.06; 14.7 90; 90; 120 | 1288.38 | Healy, P.C.; Taylor, D.; Kepert, D.L.; White, A.H. Crystal structure of dicesium octa-mue3-chloro-hexachloro-octahedro-hexa-tungstate(II) and -molybdate(II) complexes Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1973, 1973, 646-650 |
| 4034941 | CIF | C19 H18 O3 S | P 3 1 c | 17.94; 17.94; 8.4256 90; 90; 120 | 2348.42 | Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems. The Journal of organic chemistry, 2018, 83, 4505-4515 |
| 4038881 | CIF | C48 H66 N8 | P 3 1 c | 11.9345; 11.9345; 40.593 90; 90; 120 | 5007.1 | Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages. The Journal of organic chemistry, 2020 |
| 4061493 | CIF | C64 H73 N6 O3 Sc | P 3 1 c | 14.7505; 14.7505; 15.417 90; 90; 120 | 2905 | Tredget, Cara S.; Lawrence, Sally C.; Ward, Benjamin D.; Howe, Robert G.; Cowley, Andrew R.; Mountford, Philip A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N~3~ Donor Ligands Organometallics, 2005, 24, 3136-3148 |
| 4068469 | CIF | C19 H49 N5 Si3 Zr | P 3 1 c | 11.9522; 11.9522; 11.6463 90; 90; 120 | 1440.84 | Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate Organometallics, 2009, 28, 573 |
| 4070839 | CIF | C25 H30 N Nb | P 3 1 c | 11.2683; 11.2683; 10.2514 90; 90; 120 | 1127.3 | Arteaga-Müller, Rocío; Sánchez-Nieves, Javier; Ramos, Javier; Royo, Pascual; Mosquera, Marta E. G. Isolobal Zwitterionic Niobium and Tantalum Imido and Zirconium Monocyclopentadienyl Complexes: Theoretical and Methyl Methacrylate Polymerization Studies Organometallics, 2008, 27, 1417 |
| 4075166 | CIF | C25 H30 N Ta | P 3 1 c | 11.1584; 11.1584; 10.1563 90; 90; 120 | 1095.14 | Anderson, Laura L.; Schmidt, Joseph A. R.; Arnold, John; Bergman, Robert G. Neutral and Cationic Alkyl Tantalum Imido Complexes: Synthesis and Migratory Insertion Reactions. Organometallics, 2006, 25, 3394-3406 |
| 4080294 | CIF | C24 H39 Si2 U | P 3 1 c | 19.1449; 19.1449; 11.9066 90; 90; 120 | 3779.4 | Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes Organometallics, 2013, 32, 1353 |
| 4083252 | CIF | C20 H16 Bi0.33 Ir O2 Sn | P 3 1 c | 15.4058; 15.4058; 30.9544 90; 90; 120 | 6362.41 | Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands Organometallics, 2012, 31, 7264 |
| 4083253 | CIF | C14 H10 Bi0.33 Ir O2 Sn | P 3 1 c | 12.4372; 12.4372; 38.7624 90; 90; 120 | 5192.6 | Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Zhang, Qiang Synthesis and Characterizations of Bismuth-Bridged Triiridium Carbonyl Complexes Containing Germyl/Germylene and Stannyl/Stannylene Ligands Organometallics, 2012, 31, 7264 |
| 4106029 | CIF | C24 H60 Al3 O3 Sc | P 3 1 c | 15.8846; 15.8846; 8.6025 90; 90; 120 | 1879.78 | Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates Journal of the American Chemical Society, 2011, 133, 6323-6337 |
| 4106030 | CIF | C24 H60 Al3 Nd O3 | P 3 1 c | 16.121; 16.121; 8.6164 90; 90; 120 | 1939.28 | Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates Journal of the American Chemical Society, 2011, 133, 6323-6337 |
| 4106435 | CIF | C127 H80 Cl2 N6 Ni6 O12 S6 | P 3 1 c | 18.551; 18.551; 16.155 90; 90; 120 | 4814.7 | Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese Metallohosts with a Heart of Carbon Journal of the American Chemical Society, 2011, 133, 10776-10779 |
| 4111904 | CIF | C152 H165 Cl Mn26 N24 O69 | P 3 1 c | 20.2656; 20.2656; 33.203 90; 90; 120 | 11809.4 | Curtis M. Zaleski; Ezra C. Depperman; Catherine Dendrinou-Samara; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Martin L. Kirk; Vincent L. Pecoraro Metallacryptate Single-Molecule Magnets: Effect of Lower Molecular Symmetry on Blocking Temperature Journal of the American Chemical Society, 2005, 127, 12862-12872 |
| 4114047 | CIF | C54 H102 Br3 O P7 Pt3 | P 3 1 c | 18.021; 18.021; 23.936 90; 90; 120 | 6731.94 | Yury K. Kryschenko; S. Russell Seidel; David C. Muddiman; Angelito I. Nepomuceno; Peter J. Stang Coordination-Driven Self-Assembly of Supramolecular Cages: Heteroatom-Containing and Complementary Trigonal Prisms Journal of the American Chemical Society, 2003, 125, 9647-9652 |
| 4114914 | CIF | Cs1.33 H4.8 K0.67 O13.4 Si4 V | P 3 1 c | 13.11; 13.11; 14.35 90; 90; 120 | 2136 | Xiqu Wang; Lumei Liu; Allan J. Jacobson Open-Framework and Microporous Vanadium Silicates Journal of the American Chemical Society, 2002, 124, 7812-7820 |
| 4119618 | CIF | C21 H27 F3 Si3 | P 3 1 c | 12.3731; 12.3731; 9.802 90; 90; 120 | 1299.58 | Julien Lieffrig; Olivier Jeannin; Marc Fourmigué Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices Journal of the American Chemical Society, 2013, 135, 6200-6210 |
| 4122872 | CIF | C131 H180 F15 N16 O51 Rh9 S5 | P 3 1 c | 22.644; 22.644; 20.7045 90; 90; 120 | 9193.9 | Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands. Journal of the American Chemical Society, 2014, 136, 15521-15524 |
| 4123413 | CIF | Al3 B3 F O10 Rb3 | P 3 1 c | 8.6819; 8.6819; 8.7423 90; 90; 120 | 570.67 | Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal. Journal of the American Chemical Society, 2015, 137, 2207-2210 |
| 4124938 | CIF | C24 H57 Lu Si6.73 | P 3 1 c | 16.1659; 16.1659; 8.57041 90; 90; 120 | 1939.69 | Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A. The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy. Journal of the American Chemical Society, 2016, 138, 3831-3843 |
| 4129494 | CIF | C33 H39 N9 O9 S3 | P 3 1 c | 18.241; 18.241; 6.5002 90; 90; 120 | 1873.1 | Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O. Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System. Journal of the American Chemical Society, 2015, 137, 14236-14239 |
| 4130511 | CIF | C21 H24 Al P | P 3 1 c | 12.0529; 12.0529; 7.4996 90; 90; 120 | 943.52 | Knaus, Maximilian G. M.; Giuman, Marco M.; Pöthig, Alexander; Rieger, Bernhard End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs. Journal of the American Chemical Society, 2016, 138, 7776-7781 |
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