Crystallography Open Database
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Searching space group like 'R 3 :H'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2002320 | CIF | Ba3 Lu4 O9 | R 3 :H | 6.03; 6.03; 24.75299 90; 90; 120 | 779.5 | Krueger, J; Mueller-Buschbaum, Hk Ba3 Lu4 O9: Synthese und Strukturuntersuchung Zeitschrift fuer Anorganische und Allgemeine Chemie, 1984, 512, 59-64 |
| 2002333 | CIF | Ba3 O9 Yb4 | R 3 :H | 6.042; 6.042; 24.85899 90; 90; 120 | 785.9 | Krueger, J; Mueller-Buschbaum, Hk Die Struktur von Ba3 Yb4 O9 Revue de Chimie Minerale, 1983, 20, 456-461 |
| 2002469 | CIF | Ba3 O9 Tm4 | R 3 :H | 6.0556; 6.0556; 24.9572 90; 90; 120 | 792.6 | Mueller-Buschbaum, Hk; Scheikowski, M Zur Kristallstruktur von Ba3 Ln4 O9 (Ln = Tm, Ho) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 591, 181-187 |
| 2002470 | CIF | Ba3 Ho4 O9 | R 3 :H | 6.0975; 6.0975; 25.13559 90; 90; 120 | 809.3 | Mueller-Buschbaum, Hk; Scheikowski, M Zur Kristallstruktur von Ba3 Ln4 O9 (Ln = Tm, Ho) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 591, 181-187 |
| 2002599 | CIF | Ba3 Dy4 O9 | R 3 :H | 6.129; 6.129; 25.282 90; 90; 120 | 822.5 | Mueller-Buschbaum, Hk; Schrandt, O Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb) Journal of Alloys Compd., 1993, 191, 151-154 |
| 2002600 | CIF | Ba3 Er4 O9 | R 3 :H | 6.086; 6.086; 25.077 90; 90; 120 | 804.4 | Mueller-Buschbaum, Hk; Schrandt, O Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb) Journal of Alloys Compd., 1993, 191, 151-154 |
| 2002601 | CIF | Ba3 O9 Y2 Yb2 | R 3 :H | 6.077; 6.077; 25.01399 90; 90; 120 | 800 | Mueller-Buschbaum, Hk; Schrandt, O Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb) Journal of Alloys Compd., 1993, 191, 151-154 |
| 2004036 | CIF Paper | C48 H52 Cu4 N4 O8 | R 3 :H | 30.195; 30.195; 14.871 90; 90; 120 | 11742 | Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z. Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one Acta Crystallographica Section C, 1995, 51, 1980-1982 |
| 2004164 | CIF Paper | C57 H45 Fe N3 O3 P3 S3 | R 3 :H | 38.4; 38.4; 12.092 90; 90; 120 | 15442 | Olejnik, Z.; Lis, T.; Ondrejkovicová, I. <i>fac</i>-Tris(isothiocyanato)tris(triphenylphosphine oxide)iron(III) at 80 K Acta Crystallographica Section C, 1995, 51, 2246-2249 |
| 2005099 | CIF Paper | Li O4 P Zn | R 3 :H | 13.628; 13.628; 9.096 90; 90; 120 | 1463 | Bu, X.; Gier, T. E.; Stucky, G. D. A New Form of Lithium Zinc Phosphate with an Ordered Phenakite Structure, LiZnPO~4~ Acta Crystallographica Section C, 1996, 52, 1601-1603 |
| 2005767 | CIF Paper | C21 H21 Cl O3 Sn | R 3 :H | 16.094; 16.094; 6.717 90; 90; 120 | 1506.7 | Wharf, I.; Lebuis, A.-M. Chlorotris(<i>m</i>-methoxyphenyl)tin(IV) Acta Crystallographica Section C, 1996, 52, 3025-3027 |
| 2005897 | CIF Paper | C21 H21 Cl Sn | R 3 :H | 16.942; 16.942; 5.9187 90; 90; 120 | 1471.25 | Ng, S. W. Tribenzyltin Chloride Acta Crystallographica Section C, 1997, 53, 56-58 |
| 2006992 | CIF Paper | C8 H12 Cl N O4 S | R 3 :H | 21.511; 21.511; 6.369 90; 90; 120 | 2552 | Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte 6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide Acta Crystallographica Section C, 1998, 54, 242-244 |
| 2007645 | CIF Paper | C24 H33 N O3 | R 3 :H | 27.132; 27.132; 8.29 90; 90; 120 | 5285 | Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni Enantiopure δ-Hydroxy-β-enamino Ketones Acta Crystallographica Section C, 1998, 54, 1306-1309 |
| 2008217 | CIF Paper | C40 H66 B F4 N4 O9 P3 | R 3 :H | 18.1459; 18.1459; 12.2532 90; 90; 120 | 3494.1 | Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines Acta Crystallographica Section C, 1999, 55, 373-377 |
| 2009397 | CIF Paper | C10 H14 Cl O2 | R 3 :H | 22.426; 22.426; 6.395 90; 90; 120 | 2785 | Leigh, D. A.; Moody, A. E.; Pritchard, R. G. 2,7-Dimethyl-3,5-octadiyne-2,7-diol dichloromethane solvate: a clathrate comprising hydrogen-bonded supramolecular tunnels containing dichloromethane guest molecules Acta Crystallographica Section C, 1994, 50, 129-131 |
| 2010760 | CIF HKL Paper | C21 H21 O P | R 3 :H | 16.685; 16.685; 5.468 90; 90; 120 | 1318.3 | Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel Tribenzylphosphine oxide Acta Crystallographica Section C, 2000, 56, e98-e99 |
| 2011227 | CIF HKL Paper | C10 H15 N3 O4 | R 3 :H | 16.611; 16.611; 10.6471 90; 90; 120 | 2544.2 | Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria 2'-Deoxy-5-methylisocytidine Acta Crystallographica Section C, 2000, 56, 989-991 |
| 2013852 | CIF HKL Paper | C30 H39 Cl O4 | R 3 :H | 34.3749; 34.3749; 5.7585 90; 90; 120 | 5892.8 | Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate Acta Crystallographica Section C, 2004, 60, o75-o78 |
| 2015441 | CIF HKL Paper | C11 H15 N O2 | R 3 :H | 23.561; 23.561; 5.7823 90; 90; 120 | 2779.8 | Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan (<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol Acta Crystallographica Section C, 2006, 62, o389-o393 |
| 2017128 | CIF HKL Paper | C15 H30 Cl6 Cu4 N10 O | R 3 :H | 17.548; 17.548; 7.898 90; 90; 120 | 2106.2 | Chiarella, Gina M.; Melgarejo, Doris Y.; Fackler Jr, John P. The neutral cluster amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II) Acta Crystallographica Section C, 2009, 65, m228-m230 |
| 2017293 | CIF HKL Paper | Cl3 H14 Li Mg O7 | R 3 :H | 9.2322; 9.2322; 12.0541 90; 90; 120 | 889.77 | Schmidt, Horst; Euler, Bernhard; Voigt, Wolfgang; Heide, Gerhard Lithium carnallite, LiCl·MgCl~2~·7H~2~O Acta Crystallographica Section C, 2009, 65, i57-i59 |
| 2019018 | CIF HKL Paper | C42 H44 Cl2 P2 | R 3 :H | 13.941; 13.941; 15.693 90; 90; 120 | 2641.3 | Levason, William; Pugh, David; Reid, Gillian Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1) Acta Crystallographica Section C, 2013, 69, 560-564 |
| 2023033 | CIF Paper | C29 H40 N4 O8.961 | R 3 :H | 24.3443; 24.3443; 14.55212 90; 90; 120 | 7468.81 | Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N. Omadacycline dihydrate, C<sub>29</sub>H<sub>40</sub>N<sub>4</sub>O<sub>7</sub>·2H<sub>2</sub>O, from X-ray powder diffraction data. Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 292-295 |
| 2100853 | CIF Paper | Cl11 N3 P4 | R 3 :H | 10.6; 10.6; 14.167 90; 90; 120 | 1378.5 | Belaj, F. Structures and electron density distributions of [Cl-P(NPCl~3~)~3~]^+^.Cl^{-^} and [Cl-P(NPCl~3~)~3~]^+^.PCl~6~^{-^}.1/2C~2~H~2~Cl~4~ at 100 K Acta Crystallographica Section B, 1992, 48, 598-604 |
| 2101404 | CIF Paper | Cd P S3 | R 3 :H | 6.224; 6.224; 19.49 90; 90; 120 | 654 | Boucher, F.; Evain, M.; Brec, R. Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~ Acta Crystallographica Section B, 1995, 51, 952-961 |
| 2103124 | CIF Paper | C50 H121 Al3 F10 Li4 O5 Si9 | R 3 :H | 14.899; 14.899; 30.472 90; 90; 120 | 5857.9 | Herbst-Irmer, Regine; Sheldrick, George M. Refinement of obverse/reverse twins Acta Crystallographica, Section B: Structural Science, 2002, 58, 477-481 |
| 2105409 | CIF | B3 Cl6 N3 | R 3 :H | 8.847; 8.847; 10.321 90; 90; 120 | 699.591 | Groeneveld, W.L.; Verschoor, G.C.; Haasnoot, J.G.; Romers, C. On the crystal and molecular structure of hexachloroborazine Acta Crystallographica B (24,1968-38,1982), 1972, 28, 2070-2073 |
| 2106456 | CIF | H12 N3 O12 Sc Se3 | R 3 :H | 15.567; 15.567; 9.871 90; 90; 120 | 2071.58 | Valkonen, J.; Niinisto, L. Triammonium scandium selenate Acta Crystallographica B (24,1968-38,1982), 1978, 34, 266-268 |
| 2107150 | CIF | Li5.04 O17.92 Ta6.16 | R 3 :H | 5.1576; 5.1576; 13.7842 90; 90; 120 | 317.547 | Santoro, A.; Roth, R.S.; Austin, M. Powder neutron diffraction study of the nonstoichiometric solid solution of lithium tantalate (Li Ta O3)9 (Ta2 O5) Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1094-1098 |
| 2201632 | CIF HKL Paper | C12 H30 N2 O7 | R 3 :H | 12.065; 12.065; 9.633 90; 90; 120 | 1214.4 | Kemmitt, Tim; Gainsford, Graeme J.; Steel, Peter J.; Wikaira, Jan Four-centre hydrogen bonds: a triethanolamine‒triethanolamine oxide complex Acta Crystallographica Section E, 2002, 58, o851-o852 |
| 2204397 | CIF HKL Paper | C12 H24 Cl2 N6 S3 Zn | R 3 :H | 11.0498; 11.0498; 16.0416 90; 90; 120 | 1696.24 | Hai Qing Sun; Wen Tao Yu; Duo Rong Yuan; Xin Qing Wang; Gang, Xue Tris(allylthiourea-κ<i>S</i>)chlorozinc(II) chloride Acta Crystallographica Section E, 2004, 60, m1431-m1433 |
| 2207374 | CIF HKL Paper | Cs4 Se9 Sn3 Sr | R 3 :H | 14.528; 14.528; 9.685 90; 90; 120 | 1770.3 | Tobias van Almsick; William S. Sheldrick Tetracaesium strontium <i>catena</i>-nonaselenidotristannate(IV) Acta Crystallographica Section E, 2005, 61, i225-i227 |
| 2208270 | CIF HKL Paper | C24.67 H33.67 F O6.67 | R 3 :H | 17.857; 17.857; 18.0528 90; 90; 120 | 4985.3 | Jeß, Inke; Näther, Christian Triamcinolone acetonide methanol 0.67-solvate at 170 K Acta Crystallographica Section E, 2006, 62, o960-o962 |
| 2211031 | CIF HKL Paper | Ni3 O6 Te | R 3 :H | 5.1087; 5.1087; 13.767 90; 90; 120 | 311.17 | Becker, Richard; Berger, Helmuth Reinvestigation of Ni~3~TeO~6~ Acta Crystallographica Section E, 2006, 62, i222-i223 |
| 2211439 | CIF HKL Paper | C16 H14 Cl2 O3 | R 3 :H | 19.849; 19.849; 10.34 90; 90; 120 | 3528 | Zhen, Xiao-Li; Han, Jian-Rong; Wang, Qun-Tao; Tian, Xia; Liu, Shou-Xin 4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde Acta Crystallographica Section E, 2006, 62, o5794-o5795 |
| 2213999 | CIF HKL Paper | C31 H34 O8 | R 3 :H | 24.001; 24.001; 13.441 90; 90; 120 | 6705.3 | Zi-Jie Liu; Dong Han; Lin-Na Wang; Xiang-Bao Meng; Zhong-Jun Li 1,5-Di-<i>O</i>-acetyl-2,3,4-tri-<i>O</i>-benzyl-α-<small>D</small>-mannopyranoside Acta Crystallographica Section E, 2007, 63, o2975-o2975 |
| 2215550 | CIF HKL Paper | C12 H24 N3 O12 Tb | R 3 :H | 16.54; 16.54; 5.9554 90; 90; 120 | 1411 | Kameshwar, Prashant M.; Wadawale, Amey; Ajgaonkar, Vishnu R. Tris(<i>N</i>-acetylglycinato-κ^2^<i>O</i>,<i>O</i>')triaquaterbium(III) Acta Crystallographica Section E, 2007, 63, m2584-m2584 |
| 2215551 | CIF HKL Paper | C12 H24 N3 O12 Sm | R 3 :H | 16.58; 16.58; 5.978 90; 90; 120 | 1423.2 | Kameshwar, Prashant M.; Wadawale, Amey; Ajgaonkar, Vishnu R. Tris(<i>N</i>-acetylglycinato-κ^2^<i>O</i>,<i>O</i>')triaquasamarium(III) Acta Crystallographica Section E, 2007, 63, m2598-m2598 |
| 2218160 | CIF HKL Paper | C108 H76 Fe4 N18 O42 W12 | R 3 :H | 25.088; 25.088; 17.231 90; 90; 120 | 9392 | Ma, Feng-Xia; Chen, Ya-Guang; Shi, Dong-Mei Tris[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II)] dodecatungstoferrate dihydrate Acta Crystallographica Section E, 2008, 64, m672 |
| 2220799 | CIF HKL Paper | C21 H21 Cl Sn | R 3 :H | 16.7985; 16.7985; 11.6875 90; 90; 120 | 2856.23 | Ng, Seik Weng Low-temperature redetermination of tribenzylchloridotin(IV) Acta Crystallographica Section E, 2009, 65, m238 |
| 2222312 | CIF HKL Paper | C45 H34 B Br N6 Ni | R 3 :H | 12.8227; 12.8227; 19.327 90; 90; 120 | 2752 | Harding, David J.; Harding, Phimphaka; Adams, Harry [Tris(3,5-diphenylpyrazolyl)hydroborato]nickel(II) bromide Acta Crystallographica Section E, 2009, 65, m773 |
| 2225315 | CIF HKL Paper | C13 H21 N3 O6 | R 3 :H | 16.8793; 16.8793; 15.1043 90; 90; 120 | 3726.83 | Jenkinson, Sarah F.; Lenagh-Snow, Gabriel M. J.; Izumori, Ken; Fleet, George W. J.; Watkin, David J.; Thompson, Amber L. 2-Azido-3,4;6,7-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>talo</i>-heptopyranose Acta Crystallographica Section E, 2010, 66, o525-o526 |
| 2227936 | CIF HKL Paper | C21 H15 Bi O6 | R 3 :H | 19.5608; 19.5608; 4.0967 90; 90; 120 | 1357.5 | Tumanov, Nikolay A.; Timakova, Evgenia V.; Boldyreva, Elena V. Tribenzoatobismuth(III): a new polymorph Acta Crystallographica Section E, 2010, 66, m1248 |
| 2229317 | CIF HKL Paper | C18 H25.67 N O5.33 | R 3 :H | 27.95; 27.95; 5.8035 90; 90; 120 | 3926.3 | Chakka, Sai Kumar; McKay, Michael G.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M. [(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol 2.33-hydrate Acta Crystallographica Section E, 2011, 67, o700 |
| 2229407 | CIF HKL Paper | C18 H12 Br5 Fe2 N6 S6 | R 3 :H | 12.0638; 12.0638; 17.6907 90; 90; 120 | 2229.7 | Abedi, Anita; Amani, Vahid; Safari, Nasser Tris(4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')iron(II) tetrabromidoferrate(III) bromide Acta Crystallographica Section E, 2011, 67, m311-m312 |
| 2230124 | CIF HKL Paper | C12 H24 Br2 N6 S3 Zn | R 3 :H | 11.3591; 11.3591; 14.5172 90; 90; 120 | 1622.19 | Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide Acta Crystallographica Section E, 2011, 67, m543 |
| 2232871 | CIF HKL Paper | C55 H59 O7 S9 Tb | R 3 :H | 13.9131; 13.9131; 24.6789 90; 90; 120 | 4137.2 | Veith, Michael; Belot, Celine; Huch, Volker Tris(tetrahydrofuran-κ<i>O</i>)tris[tris(thiophen-2-yl)methanolato-κ<i>O</i>]terbium(III) tetrahydrofuran monosolvate Acta Crystallographica Section E, 2011, 67, m1712 |
| 2236919 | CIF Paper | C57 H45 N3 O3 P3 S3 Tb | R 3 :H | 38.6774; 38.6774; 12.3956 90; 90; 120 | 16058.8 | Pham, Lam N.; Thames, Anthony T.; White, Frankie D.; Xiang, Kang Rui; Sykora, Richard E. Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III) Acta Crystallographica Section E, 2012, 68, m1531 |
| 2240921 | CIF | Cs4 Se9 Sn3 Sr | R 3 :H | 9.685; 9.685; 9.685 90; 90; 120 | 786.737 | Van Almsick, T.; Sheldrick, W. S. Tetracesium strontium catena-nona-selenidotristannate(IV) Acta Crystallographica Section E, 2005, 61, i225-i227 |
| 2241111 | CIF HKL Paper | C36 H77 Ce2 N15 Ni6 O37 | R 3 :H | 14.6418; 14.6418; 31.7767 90; 90; 120 | 5899.7 | Bezzubov, Stanislav I.; Doljenko, Vladimir D.; Churakov, Andrei V.; Zharinova, Irina S.; Kiselev, Yuri M. Crystal structure of an unknown solvate of dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III) Acta Crystallographica Section E, 2015, 71, m183-m184 |
| 2310679 | CIF | Fe4 H5 O9 Si | R 3 :H | 5.49; 5.49; 42.5 90; 90; 120 | 1109.34 | Steadman, R.; Nuttall, P.M. Polymorphism in cronstedtite Acta Crystallographica (1,1948-23,1967), 1963, 16, 1-8 |
| 2311998 | CIF Paper | C63 H63 Eu O27 | R 3 :H | 27.194; 27.194; 7.6221 90; 90; 120 | 4881.5 | Han, Mei Rong; Li, Shao Dong; Ma, Ling; Yao, Bang; Feng, Si Si; Zhu, Miao Li Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium. Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1220-1227 |
| 4000730 | CIF | C90 H60 Ag6 F18 N24 O24 S6 | R 3 :H | 30.319; 30.319; 10.119 90; 90; 120 | 8055.6 | Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods Chemistry of Materials, 2011, 23, 1505 |
| 4001680 | CIF | Cd4 Cs Ga5 S12 | R 3 :H | 13.8639; 13.8639; 9.3974 90; 90; 120 | 1564.26 | Lin, Hua; Zhou, Liu-Jiang; Chen, Ling Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) Chemistry of Materials, 2012, 24, 3406 |
| 4001681 | CIF | Cd4 Ga5 Rb S12 | R 3 :H | 13.8071; 13.8071; 9.3492 90; 90; 120 | 1543.51 | Lin, Hua; Zhou, Liu-Jiang; Chen, Ling Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) Chemistry of Materials, 2012, 24, 3406 |
| 4001682 | CIF | Cd4 Ga5 K S12 | R 3 :H | 13.7905; 13.7905; 9.3304 90; 90; 120 | 1536.71 | Lin, Hua; Zhou, Liu-Jiang; Chen, Ling Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs) Chemistry of Materials, 2012, 24, 3406 |
| 4001994 | CIF | C96 H118 Cl5 Cu3 N25 O43 P6 | R 3 :H | 20.399; 20.399; 24.969 90; 90; 120 | 8998.1 | Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties Chemistry of Materials, 2014, 26, 3811 |
| 4001997 | CIF | C65 H78 Cl4 Cu2 N16 O28 P4 | R 3 :H | 20.565; 20.565; 50.106 90; 90; 120 | 18352 | Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties Chemistry of Materials, 2014, 26, 3811 |
| 4002256 | CIF | Li0.275 Ni0.725 O | R 3 :H | 6.02; 6.02; 14.726 90; 90; 120 | 462.177 | Monge, M.A.; Gutierrez-Puebla, E.; Martinez, J.L.; Campa, J.A.; Rasines, I. Cation distribution in lithium nickel oxide crystals Chemistry of Materials (1,1989-), 2000, 12, 2001-2007 |
| 4002706 | CIF | Cs Ga Se6 Sn2 | R 3 :H | 10.518; 10.518; 9.5385 90; 90; 120 | 913.85 | Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit Chemistry of Materials, 2017, 29, 499 |
| 4002707 | CIF | Cs In Se6 Sn2 | R 3 :H | 10.652; 10.652; 9.6882 90; 90; 120 | 952 | Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit Chemistry of Materials, 2017, 29, 499 |
| 4002826 | CIF | Ba6 Ga2 S16 Zn7 | R 3 :H | 9.7723; 9.7723; 27.006 90; 90; 120 | 2233.5 | Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties Chemistry of Materials, 2017, 29, 5259 |
| 4002844 | CIF | Ga5 Hg4 K Se12 | R 3 :H | 14.3203; 14.3203; 9.7057 90; 90; 120 | 1723.7 | Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response Chemistry of Materials, 2017, 29, 7993 |
| 4020076 | CIF | C73 H80 Cl2 N2 O P2 Ru | R 3 :H | 24.32; 24.32; 55.8 90; 90; 120 | 28606 | Helen L. Ngo; Wenbin Lin Journal of Organic Chemistry, 2005, 70, 1177-1187 |
| 4022248 | CIF | C17 H26 N O3 S | R 3 :H | 20.698; 20.698; 11.1777 90; 90; 120 | 4147.1 | Tony P. Tang; Jonathan A. Ellman Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines Journal of Organic Chemistry, 2002, 67, 7819-7832 |
| 4023258 | CIF | C36 H63 N15 O9 | R 3 :H | 18.518; 18.518; 13.44 90; 90; 120 | 3991.3 | Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides Journal of Organic Chemistry, 2008, 73, 1306-1310 |
| 4023275 | CIF | C46 H51 Cl6 O6 S12 | R 3 :H | 21.2273; 21.2273; 11.3541 90; 90; 120 | 4430.7 | Yangping Liu; Frederick A. Villamena; Jian Sun; Yingkai Xu; Ilirian Dhimitruka; Jay L. Zweier Synthesis and Characterization of Ester-Derivatized Tetrathiatriarylmethyl Radicals as Intracellular Oxygen Probes Journal of Organic Chemistry, 2008, 73, 1490-1497 |
| 4024044 | CIF | C28 H30 O11 S | R 3 :H | 27.9054; 27.9054; 9.5055 90; 90; 120 | 6410.4 | Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond Journal of Organic Chemistry, 2007, 72, 5523-5533 |
| 4024616 | CIF | C31 H42 I N3 O5 | R 3 :H | 44.8052; 44.8052; 8.8254 90; 90; 120 | 15343.4 | Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives Journal of Organic Chemistry, 2009, 74, 4655-4665 |
| 4026557 | CIF | C33 H39 N9 O9 | R 3 :H | 14.2352; 14.2352; 15.1711 90; 90; 120 | 2662.4 | Martin R. Krause; Richard Goddard; Stefan Kubik Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits Journal of Organic Chemistry, 2011, 76, 7084-7095 |
| 4026863 | CIF | C41 H51.17 N5 O14.33 P2.5 | R 3 :H | 30.4865; 30.4865; 12.0383 90; 90; 120 | 9689.7 | Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar Fluorescent Acridine-Based Receptors for H2PO4- Journal of Organic Chemistry, 2012, 77, 490-500 |
| 4030119 | CIF | C15 H19 N O4 | R 3 :H | 25.9883; 25.9883; 5.81758 90; 90; 120 | 3402.74 | Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E. Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids. The Journal of organic chemistry, 2014, 79, 10932-10944 |
| 4035592 | CIF | C109 H103 Cl3 O24 | R 3 :H | 30.9223; 30.9223; 8.3338 90; 90; 120 | 6901.08 | Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity. The Journal of organic chemistry, 2018, 83, 8522-8532 |
| 4037249 | CIF | C20 H23 N O2 Si | R 3 :H | 26.426; 26.426; 7.039 90; 90; 120 | 4257 | Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction. The Journal of organic chemistry, 2016, 81, 10759-10768 |
| 4037469 | CIF | C19 H15 Br N2 O3 | R 3 :H | 20.8688; 20.8688; 12.2249 90; 90; 120 | 4610.7 | Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams. The Journal of organic chemistry, 2017, 82, 3908-3916 |
| 4037899 | CIF | C33 H33 Cl3 D I3 O3 | R 3 :H | 11.2613; 11.2613; 24.166 90; 90; 120 | 2654.07 | Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes. The Journal of organic chemistry, 2020 |
| 4037902 | CIF | C33 H34 Cl3 I3 O3 | R 3 :H | 11.2774; 11.2774; 24.1597 90; 90; 120 | 2661 | Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes. The Journal of organic chemistry, 2020 |
| 4065620 | CIF | C36 H75 Li3 N6 | R 3 :H | 19.546; 19.546; 8.9796 90; 90; 120 | 2971 | Gessner, Viktoria H.; Strohmann, Carsten Lithiation of Diamine Ligands to Chiral Building Blocks: Syntheses, Selectivities, and Lithiated Intermediates Organometallics, 2010, 29, 1858 |
| 4066268 | CIF | C18 H48 Ge4 Si | R 3 :H | 14.591; 14.591; 10.863 90; 90; 120 | 2002.9 | Hlina, Johann; Baumgartner, Judith; Marschner, Christoph Polygermane Building Blocks† Organometallics, 2010, 29, 5289 |
| 4066277 | CIF | C22 H57 Li4 N9 | R 3 :H | 21.3969; 21.3969; 12.3807 90; 90; 120 | 4908.8 | Kamps, Ina; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. A Chain Aggregate of Methyllithium Tetramers† Organometallics, 2010, 29, 4746 |
| 4070991 | CIF | C57 H129 Ca3 N3 O9 Si6 | R 3 :H | 17.8268; 17.8268; 20.7329 90; 90; 120 | 5706.07 | He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W. Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies Organometallics, 2008, 27, 3094 |
| 4071837 | CIF | C14 H16 B N7 O3 S3 W | R 3 :H | 14.2437; 14.2437; 17.8872 90; 90; 120 | 3142.81 | Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D. Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten Organometallics, 2008, 27, 4455 |
| 4074872 | CIF | C50 H47 B Cl F4 N O P2 Pt Se | R 3 :H | 21.6188; 21.6188; 54.139 90; 90; 120 | 21913.1 | Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations Organometallics, 2006, 25, 1259-1269 |
| 4076210 | CIF | C18 H48 Si4 Sn | R 3 :H | 14.617; 14.617; 11.024 90; 90; 120 | 2039.8 | Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics, 2005, 24, 6450 |
| 4076212 | CIF | C18 H48 Ge Si4 | R 3 :H | 14.714; 14.714; 10.906 90; 90; 120 | 2044.8 | Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics, 2005, 24, 6450 |
| 4076217 | CIF | C18 H48 Si4 Sn | R 3 :H | 14.663; 14.663; 10.99 90; 90; 120 | 2046.3 | Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics, 2005, 24, 6450 |
| 4076218 | CIF | C18 H48 Ge Si3 Sn | R 3 :H | 14.701; 14.701; 11.021 90; 90; 120 | 2062.7 | Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics, 2005, 24, 6450 |
| 4076219 | CIF | C18 H54 Ge Si6 Sn | R 3 :H | 16.257; 16.257; 11.58 90; 90; 120 | 2650.5 | Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics, 2005, 24, 6450 |
| 4077020 | CIF | C8 H19 Cl Cu N2 O2 | R 3 :H | 20.776; 20.776; 13.728 90; 90; 120 | 5131.7 | Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity Organometallics, 2002, 21, 4513 |
| 4079035 | CIF | C30 H50 Br11 Cu8 N3 O | R 3 :H | 12.125; 12.125; 29.3362 90; 90; 120 | 3735.1 | Ye, Qiong; Liu, Ming-Liang; Chen, Zi-Qi; Sun, Su-Wen; Xiong, Ren-Gen Solvothermal Syntheses and Physical Properties of Noncentrosymmetric Olefin‒Copper(I) Coordination Compounds Organometallics, 2012, 31, 7862 |
| 4079096 | CIF | C76 H60 N2 Ni O6 P2 | R 3 :H | 37.5195; 37.5195; 13.494 90; 90; 120 | 16450.7 | Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano “Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms Organometallics, 2012, 31, 6162 |
| 4079561 | CIF | C26 H17 Fe2 N O5 S | R 3 :H | 39.0863; 39.0863; 8.5612 90; 90; 120 | 11327 | Hirotsu, Masakazu; Santo, Kiyokazu; Hashimoto, Hideki; Kinoshita, Isamu Carbon- and Sulfur-Bridged Diiron Carbonyl Complexes Containing N,C,S-Tridentate Ligands Derived from Functionalized Dibenzothiophenes: Mimics of the [FeFe]-Hydrogenase Active Site Organometallics, 2012, 31, 7548 |
| 4085634 | CIF | C29 H27 Cl F N3 O | R 3 :H | 32.2621; 32.2621; 12.7055 90; 90; 120 | 11452.7 | Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis Organometallics, 2015, 150320082744001 |
| 4085638 | CIF | C38 H43 Ag Cl N3 | R 3 :H | 32.156; 32.156; 17.2446 90; 90; 120 | 15442 | Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis Organometallics, 2015, 150320082744001 |
| 4085640 | CIF | C38 H43 Au Cl N3 | R 3 :H | 32.367; 32.367; 17.135 90; 90; 120 | 15546 | Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M. Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis Organometallics, 2015, 150320082744001 |
| 4085938 | CIF | C34 H58 Fe N4 | R 3 :H | 27.826; 27.826; 13.4682 90; 90; 120 | 9031.1 | Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study Organometallics, 2015, 34, 2775 |
| 4087862 | CIF | C60 H54 Au3 N3 O40 P4 W12 | R 3 :H | 19.364; 19.364; 19.277 90; 90; 120 | 6260 | Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts Organometallics, 2015, 34, 5065 |
| 4087863 | CIF | C60 H54 Au3 Mo12 N3 O40 P4 | R 3 :H | 19.2972; 19.2972; 19.2127 90; 90; 120 | 6195.9 | Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts Organometallics, 2015, 34, 5065 |
| 4088789 | CIF | C72 H90 Li12 N6 | R 3 :H | 25.7286; 25.7286; 8.9644 90; 90; 120 | 5139.07 | Flynn, Matthew T.; Stott, Rachel; Blair, Victoria L.; Andrews, Philip C. Loss of Chirality through Facile Lewis Base Mediated Aza-enolate Formation in Na and K (S)-N-(α-Methylbenzyl)methallylamides Organometallics, 2016, 35, 2707 |
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