Crystallography Open Database
Search results
Result: there are 5115 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching space group like 'C 1 2/m 1'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 2012218 | CIF HKL Paper | C3 H8 Cl N6 O0.5 | C 1 2/m 1 | 12.441; 17.667; 7.137 90; 114.99; 90 | 1421.8 | Jan Janczak; Genivaldo Julio Perpétuo Melaminium chloride hemihydrate Acta Crystallographica Section C, 2001, 57, 1120-1122 |
| 2012772 | CIF HKL Paper | C28 H26 N8 O4 S2 | C 1 2/m 1 | 20.96; 6.8198; 11.73 90; 118.67; 90 | 1471.2 | Toplak, Renata; Lorcy, Dominique A neutral complex of an azino‒DTDAF compound with TCNQ Acta Crystallographica Section C, 2002, 58, o370-o372 |
| 2012968 | CIF HKL Paper | Gd0.92 Ge2 In1.08 O7 | C 1 2/m 1 | 6.8713; 8.8805; 4.8976 90; 101.525; 90 | 292.83 | Juarez-Arellano, Erick-Adrian; Rosales, Ivonne; Bucio, Lauro; Orozco, Eligio In~1.08~Gd~0.92~Ge~2~O~7~: a new member of the thortveitite family Acta Crystallographica Section C, 2002, 58, i135-i137 |
| 2013044 | CIF HKL Paper | C20 H69 Br6 Cl Cr2 N8 O10 | C 1 2/m 1 | 22.3862; 24.7393; 8.323 90; 91.624; 90 | 4607.6 | Choi, Jong-Ha; Suzuki, Takayoshi; Kaizaki, Sumio Bis[<i>trans</i>-dibromo(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III)] dibromide hydrogen perchlorate hexahydrate Acta Crystallographica Section C, 2002, 58, m539-m541 |
| 2013137 | CIF HKL Paper | Al1.6 Ba0.8 O8 Si2.4 | C 1 2/m 1 | 8.609; 13.0658; 7.2047 90; 115.418; 90 | 731.96 | Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S. Barium-deficient celsian, Ba~1{-~<i>x</i>}Al~2{-~2<i>x</i>}Si~2+2<i>x~</i>O~8~ (<i>x</i> = 0.20 or 0.06) Acta Crystallographica Section C, 2003, 59, i11-i14 |
| 2013138 | CIF HKL Paper | Al1.88 Ba0.94 O8 Si2.12 | C 1 2/m 1 | 8.633; 13.063; 7.214 90; 115.17; 90 | 736.3 | Skellern, Matthew G.; Howie, R. Alan; Lachowski, Eric E.; Skakle, Janet M. S. Barium-deficient celsian, Ba~1{-~<i>x</i>}Al~2{-~2<i>x</i>}Si~2+2<i>x~</i>O~8~ (<i>x</i> = 0.20 or 0.06) Acta Crystallographica Section C, 2003, 59, i11-i14 |
| 2013388 | CIF HKL Paper | As4 H95 N9 O95 W17 Zr2 | C 1 2/m 1 | 32.2; 15.993; 18.415 90; 105.228; 90 | 9150.3 | Gaunt, Andrew J.; May, Iain; Collison, David; Helliwell, Madeleine A novel zirconium polyoxometalate compound: (NH~4~)~9~[Zr~2~(μ-OH)(H~2~O)~2~(AsOH)~2~(AsW~7~O~28~)(AsW~10~O~36~)]·26H~2~O Acta Crystallographica Section C, 2003, 59, i65-i66 |
| 2013470 | CIF HKL Paper | I Mn Sb Se2 | C 1 2/m 1 | 13.319; 4.0359; 10.105 90; 91.27; 90 | 543.1 | Tougait, Olivier; Ibers, James A.; Mar, Arthur Manganese antimony diselenide iodide, MnSbSe~2~I Acta Crystallographica Section C, 2003, 59, i77-i78 |
| 2013549 | CIF HKL Paper | O7 Si2 Y2 | C 1 2/m 1 | 6.8691; 8.96; 4.7168 90; 101.73; 90 | 284.24 | Redhammer, Günther J.; Roth, Georg; . β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K Acta Crystallographica Section C, 2003, 59, i103-i106 |
| 2013550 | CIF HKL Paper | O7 Si2 Y2 | C 1 2/m 1 | 6.8667; 8.959; 4.7167 90; 101.724; 90 | 284.11 | Redhammer, Günther J.; Roth, Georg; . β-Y~2~Si~2~O~7~, a new thortveitite-type compound, determined at 100 and 280K Acta Crystallographica Section C, 2003, 59, i103-i106 |
| 2013842 | CIF HKL Paper | C4 H4 Cr O10 Rb | C 1 2/m 1 | 6.639; 7.313; 10.078 90; 92.46; 90 | 488.85 | Kolitsch, Uwe RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates Acta Crystallographica Section C, 2004, 60, m129-m133 |
| 2013918 | CIF Paper | Al0.24 Fe3.76 H2 K O12 Si3 | C 1 2/m 1 | 5.4208; 9.3881; 10.33 90; 100.06; 90 | 517.6 | Redhammer, Günther J.; Roth, G. The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K Acta Crystallographica, Section C, 2004, 60, i33-i36 |
| 2013919 | CIF Paper | Al0.24 Fe3.76 H2 K O12 Si3 | C 1 2/m 1 | 5.4106; 9.3709; 10.293 90; 100.03; 90 | 513.9 | Redhammer, Günther J.; Roth, G. The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K Acta Crystallographica, Section C, 2004, 60, i33-i36 |
| 2014097 | CIF HKL Paper | H2 Li O2 P | C 1 2/m 1 | 9.3557; 5.3107; 6.5432 90; 108.259; 90 | 308.73 | Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V. Lithium and beryllium hypophosphites Acta Crystallographica Section C, 2004, 60, i73-i75 |
| 2014566 | CIF HKL Paper | C7 H8 Ag F3 N3 O4 S | C 1 2/m 1 | 18.63; 7.25; 9.552 90; 101.17; 90 | 1265.7 | You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng <i>catena</i>-Poly[[[μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'-disilver(I)]-di-μ-pyrazine-κ^4^<i>N</i>:<i>N</i>'] bis(trifluoromethanesulfonate) dihydrate] Acta Crystallographica Section C, 2004, 60, m620-m622 |
| 2014693 | CIF HKL Paper | C16 H14 Cd N6 Ni | C 1 2/m 1 | 16.5198; 7.3512; 7.6309 90; 107.06; 90 | 885.92 | Aygün, Muhittin; Utlu, Gökhan; Gökçe, Aytaç Gürhan; Akyüz, Sevim; Özbey, Süheyla The two-dimensional coordination polymer poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)] Acta Crystallographica Section C, 2005, 61, m117-m118 |
| 2014926 | CIF HKL Paper | Ag3.5 Bi7.5 S13 | C 1 2/m 1 | 13.3237; 4.0455; 21.484 90; 92.9; 90 | 1156.5 | Poudeu Poudeu, Pierre F.; Ruck, Michael Ag~3.5~Bi~7.5~S~13~, a new member (<i>N</i>=8) of the homologous series [Bi~2~S~3~]~2~·[AgBiS~2~]~(<i>N~{-</i>1)/2} Acta Crystallographica Section C, 2005, 61, i41-i43 |
| 2015315 | CIF HKL Paper | Cr2 H4 In Na O10 | C 1 2/m 1 | 10.741; 5.567; 7.497 90; 113.78; 90 | 410.23 | Kolitsch, Uwe NaIn(CrO~4~)~2~·2H~2~O, the first indium(III) member of the kröhnkite family Acta Crystallographica Section C, 2006, 62, i35-i37 |
| 2015334 | CIF HKL Paper | C6 H6 Cu3 Hg N8 | C 1 2/m 1 | 8.915; 8.095; 10.572 90; 116; 90 | 685.7 | Nishikiori, Shin-ichi; Sekiya, Ryo; Hosoya, Kazumasa Cu~3~(CN)~4~(NH~3~)~2~Hg(CN)~2~: a novel interpenetrating framework formed from Cu^I^, Cu^II^, Hg^II^ and cyanide bridges Acta Crystallographica Section C, 2006, 62, i32-i34 |
| 2015342 | CIF HKL Paper | H48 Mg3 N2 O30 P4 | C 1 2/m 1 | 34.364; 7.045; 6.1736 90; 91.349; 90 | 1494.2 | Abdallah, Khaoulani Idrissi; Mohamed, Saadi; Mohamed, Rafiq; Abdelhalim, Guelzim Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite) Acta Crystallographica Section C, 2006, 62, i43-i45 |
| 2015506 | CIF Paper | C8 H6 Cl2 N6 O10 | C 1 2/m 1 | 11.327; 21.621; 7.911 90; 128.941; 90 | 1506.9 | Rosokha, Sergiy V.; Lu, Jian-Jiang; Dibrov, Sergey M.; Kochi, Jay K. 2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate: `push‒pull' deformation of aromatic rings by intramolecular charge transfer Acta Crystallographica Section C, 2006, 62, o464-o466 |
| 2015726 | CIF HKL Paper | Cl2 Cu3 O6 Se2 | C 1 2/m 1 | 8.9333; 6.2164; 7.5815 90; 110.238; 90 | 395.03 | Becker, Richard; Berger, Helmuth; Johnsson, Mats Monoclinic Cu~3~(SeO~3~)~2~Cl~2~: an oxohalide with an unusual CuO~4~Cl trigonal‒bipyramidal coordination Acta Crystallographica Section C, 2007, 63, i4-i6 |
| 2015730 | CIF HKL Paper | Ca1.5 Eu3 O7 Sn0.5 | C 1 2/m 1 | 22.8628; 3.6294; 9.061 90; 107.915; 90 | 715.41 | Yusuke Kaminaga; Takahiro Yamada; Yamane, Hisanori Ca~1.5~Eu~3~Sn~0.5~O~7~: a calcium europium tin oxide with a novel structure Acta Crystallographica Section C, 2007, 63, i10-i12 |
| 2015991 | CIF HKL Paper | C66 H104 B22 Cl8 S6 | C 1 2/m 1 | 21.585; 14.573; 16.523 90; 126.013; 90 | 4204 | Rosokha, Sergiy V.; Lu, Jianjiang; Rosokha, Tetyana Y.; Kochi, Jay K. Tris(thianthrene)(2+) bis(dodecamethylcarba-<i>closo</i>-dodecaborate) dichloromethane tetrasolvate: a crossed triple-decker π-trimer dication Acta Crystallographica Section C, 2007, 63, o347-o349 |
| 2016010 | CIF HKL Paper | C12 H17 Cu N2 O10.5 | C 1 2/m 1 | 11.432; 18.484; 7.4981 90; 94.8; 90 | 1578.9 | Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Chen, Xiao-Juan Two pseudo-polymorphic copper‒benzene-1,2,4,5-tetracarboxylate complexes Acta Crystallographica Section C, 2007, 63, m273-m276 |
| 2016138 | CIF HKL Paper | B2 Ba F8 | C 1 2/m 1 | 12.513; 5.0135; 4.7628 90; 111.854; 90 | 277.3 | Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris Strontium tetrafluoridoborate and barium tetrafluoridoborate Acta Crystallographica Section C, 2007, 63, i75-i76 |
| 2016315 | CIF HKL Paper | C16 H24 Cr2 O8 Sb4 | C 1 2/m 1 | 13.125; 11.332; 10.185 90; 117.91; 90 | 1338.6 | Breunig, Hans Joachim; Lork, Enno; Moldovan, Ovidiu; Raţ, Ciprian I. 1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-<i>cyclo</i>-2,3,5,6-tetraantimony-1,4-dichromium Acta Crystallographica Section C, 2007, 63, m548-m549 |
| 2016570 | CIF HKL Paper | Ba3 Cl4 Li2 O7 V2 | C 1 2/m 1 | 16.1215; 5.763; 14.3795 90; 90.592; 90 | 1335.9 | Reeswinkel, Thomas; Sparta, Karine M.; Roth, Georg Ba~3~Li~2~V~2~O~7~Cl~4~, a new vanadate with a channel structure Acta Crystallographica Section C, 2008, 64, i38-i40 |
| 2016573 | CIF HKL Paper | C4 H12 Ba O7 | C 1 2/m 1 | 16.02; 7.4892; 9.1211 90; 113.23; 90 | 1005.6 | Freire, Eleonora; Baggio, Ricardo <i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')triaquabarium(II)]-μ~3~-acetato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] Acta Crystallographica Section C, 2008, 64, m164-m166 |
| 2016742 | CIF HKL Paper | C O3 Tl2 | C 1 2/m 1 | 12.006; 5.2173; 7.292 90; 123.01; 90 | 383 | Grzechnik, A.; Friese, K. Tl~2~CO~3~ at 3.56 GPa Acta Crystallographica Section C, 2008, 64, i69-i70 |
| 2016823 | CIF HKL Paper | C18 H16 O4 | C 1 2/m 1 | 17.8007; 6.8163; 13.9992 90; 117.809; 90 | 1502.42 | Allouchi, Hassan; Bravic, Georges; Lahrahar, Nacer; Desvergne, Jean-Pierre; Bouas-Laurent, Henri 2,3-Diethoxy-9,10-anthraquinone Acta Crystallographica Section C, 2008, 64, o620-o622 |
| 2017229 | CIF HKL Paper | C20 H40 Cl2 Co N4 O10 | C 1 2/m 1 | 15.83; 8.1176; 13.8319 90; 122.013; 90 | 1507.13 | Becker, Clifford A. L.; Forbes, Roy P.; Black, Robert S. Diaquatetrakis(<i>tert</i>-butyl isocyanide)cobalt(II) bis(perchlorate): an example of cobalt(II) coordinated by only four alkyl isocyanide ligands Acta Crystallographica Section C, 2009, 65, m302-m304 |
| 2017300 | CIF HKL Paper | C14 H11 N S | C 1 2/m 1 | 21.4869; 7.0302; 14.181 90; 126.173; 90 | 1729.22 | Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher (<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile has <i>Z</i>' = 0.75 in the space group <i>C</i>2/<i>m</i>: fourfold disordered molecules lie in channels enclosed by fully ordered molecules Acta Crystallographica Section C, 2009, 65, o444-o446 |
| 2017545 | CIF HKL Paper | C O3 Tl2 | C 1 2/m 1 | 12.02; 5.15; 7.198 90; 122.08; 90 | 377.5 | Grzechnik, A.; Friese, K. Crystal structure and stability of Tl~2~CO~3~ at high pressures Acta Crystallographica Section C, 2010, 66, i37-i38 |
| 2017627 | CIF HKL Paper | C14 H24 Si2 | C 1 2/m 1 | 14.0831; 10.6487; 5.7225 90; 106.739; 90 | 821.82 | Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Bolte, Michael C—H···π interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene Acta Crystallographica Section C, 2010, 66, o182-o184 |
| 2017648 | CIF HKL Paper | Cr O4 Tl2 | C 1 2/m 1 | 12.7458; 5.807; 14.721 90; 113.519; 90 | 999.06 | Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl A new modification of thallium chromate related to the β-K~2~SO~4~ family Acta Crystallographica Section C, 2010, 66, i45-i49 |
| 2017866 | CIF HKL Paper | Al0.91 As6 Co5.63 Na4 O24 | C 1 2/m 1 | 10.744; 14.847; 6.722 90; 105.51; 90 | 1033.2 | Marzouki, Riadh; Guesmi, Abderrahmen; Driss, Ahmed The novel arsenate Na~4~Co~7{-~<i>x</i>}Al~2/3<i>x~</i>(AsO~4~)~6~ (<i>x</i> = 1.37): crystal structure, charge-distribution and bond-valence-sum investigations Acta Crystallographica Section C, 2010, 66, i95-i98 |
| 2017867 | CIF HKL Paper | C14 H38 Cd3 Cl12 N4 O4 | C 1 2/m 1 | 20.218; 7.968; 10.208 90; 91.288; 90 | 1644.1 | Xiao, Jing-Mei <i>catena</i>-Poly[bis[1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane] [cadmium(II)-tri-μ-chlorido-[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-tri-μ-chlorido] tetrahydrate] Acta Crystallographica Section C, 2010, 66, m348-m350 |
| 2018091 | CIF HKL Paper | C8 H14 Cl3 Cu N O | C 1 2/m 1 | 15.4606; 9.2495; 8.4159 90; 104.27; 90 | 1166.36 | Nalla, Sowjanya; Bond, Marcus R. [CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts Acta Crystallographica Section C, 2011, 67, m185-m194 |
| 2018092 | CIF HKL Paper | C8 H14 Cl3 Cu N O | C 1 2/m 1 | 15.6883; 9.2405; 8.5073 90; 103.521; 90 | 1199.1 | Nalla, Sowjanya; Bond, Marcus R. [CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts Acta Crystallographica Section C, 2011, 67, m185-m194 |
| 2018093 | CIF HKL Paper | C7 H12 Cl3 Cu N O | C 1 2/m 1 | 15.1429; 8.8854; 8.5918 90; 104.262; 90 | 1120.4 | Nalla, Sowjanya; Bond, Marcus R. [CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts Acta Crystallographica Section C, 2011, 67, m185-m194 |
| 2018094 | CIF HKL Paper | C7 H12 Cl3 Cu N O | C 1 2/m 1 | 15.3144; 8.8708; 8.7761 90; 103.967; 90 | 1156.99 | Nalla, Sowjanya; Bond, Marcus R. [CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts Acta Crystallographica Section C, 2011, 67, m185-m194 |
| 2019033 | CIF HKL Paper | C10 H22 O8 U | C 1 2/m 1 | 7.782; 10.802; 9.512 90; 104.885; 90 | 772.8 | Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N. The first uranyl complexes with valerate ions Acta Crystallographica Section C, 2013, 69, 721-726 |
| 2019274 | CIF Paper | Br2 H12 Mg O6 | C 1 2/m 1 | 10.2299; 7.2642; 6.1964 90; 93.025; 90 | 459.83 | Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O Acta Crystallographica Section C, 2013, 69, 1292-1300 |
| 2019330 | CIF | Ba4 O27 Ti12 | C 1 2/m 1 | 19.8165; 11.4468; 9.9208 90; 109.185; 90 | 2125.41 | Currao, A. Ba4Ti12O27: Rietveld refinement using X-ray powder diffraction data Acta Crystallographica Section C Crystal Structure Communications, 1999, 55, 2 |
| 2019349 | CIF | C8 H18 P2 S4 | C 1 2/m 1 | 9.7313; 9.2898; 8.115 90; 104.252; 90 | 711.03 | Ziemer, Burkhard; Steinberger, Hans-Uwe A monoclinic polymorph of bis(tert-butylperthiophosphonic) dianhydride Acta Crystallographica Section C Crystal Structure Communications, 2000, 56, e95 |
| 2019533 | CIF HKL Paper | C7 H8 N2 O S | C 1 2/m 1 | 16.158; 6.986; 6.81 90; 97.935; 90 | 761.4 | Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate Acta Crystallographica Section C, 2014, 70, 416-420 |
| 2019674 | CIF HKL Paper | C7 H7.28 Cd2 Cl N6 O3.14 | C 1 2/m 1 | 19.479; 6.9971; 13.235 90; 132.52; 90 | 1329.5 | Wang, Yao; Guan, Ying-Fang; Liu, Jian-Jun; Huang, Chang-Cang A pillared framework coordination polymer based on the Cd~3~(μ~3~-OH) unit: poly[[(μ~4~-5-aminotetrazolato-κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^)chlorido-μ~3~-hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate] Acta Crystallographica Section C, 2014, 70, 983-986 |
| 2019711 | CIF HKL Paper | Br6 Si2 | C 1 2/m 1 | 6.6327; 11.4385; 7.5069 90; 108.488; 90 | 540.14 | Berger, Matthias; Auner, Norbert; Bolte, Michael Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures Acta Crystallographica Section C, 2014, 70, 1088-1091 |
| 2019789 | CIF HKL Paper | C24 H22 Mn2 N4 O12 | C 1 2/m 1 | 14.427; 15.635; 6.442 90; 115.789; 90 | 1308.37 | Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges Acta Crystallographica Section C, 2015, 71 |
| 2020141 | CIF | H3 K5 O14 S5 | C 1 2/m 1 | 20.3475; 5.9114; 14.7733 90; 104.38; 90 | 1721.29 | Magnusson, A.; Johansson, L.G.; Lindqvist, O. Pentapotassium Disulfite Tris(hydrogensulfite), K5 (H S O3)3 (S2 O5) Acta Crystallographica C (39,1983-), 1983, 39, 819-822 |
| 2020147 | CIF | Co H18 I7 N6 | C 1 2/m 1 | 15.712; 7.772; 9.732 90; 123.28; 90 | 993.51 | Tebbe, K. F. Untersuchungen an Polyhalogeniden. 6. Hexaammincobalt(III)heptaiodid, (Co (N H3)6) I3 I4 Acta Crystallographica C (39,1983-), 1983, 39, 154-159 |
| 2020221 | CIF | Pb4 S13 Sb6 | C 1 2/m 1 | 32.883; 3.98; 23.698 90; 132.07; 90 | 2302.3 | Skowron, A.; Brown, I.D. Refinement of the structure of robinsonite, Pb4 Sb6 S13 Acta Crystallographica C (39,1983-), 1990, 46, 527-531 |
| 2020232 | CIF | In5 K S8 | C 1 2/m 1 | 19.054; 3.8463; 19.166 90; 152.1; 90 | 657.267 | Carre, D.; Pardo, M.P. Structure de l'octasulfure de pentaindium et de potassium, In5 K S8 Acta Crystallographica C (39,1983-), 1983, 39, 822-824 |
| 2020244 | CIF | H5 N5 Na2 O12 Ru | C 1 2/m 1 | 12.8765; 14.5867; 7.4478 90; 121.521; 90 | 1192.48 | Blake, A.J.; Johnson, B.F.G.; Gould, R.O.; Parsini, E. Na2 (Ru (N O2)4 (N O) (O H)) . 2(H2 O) - a redetermination Acta Crystallographica C (39,1983-), 1992, 48, 982-984 |
| 2020264 | CIF | Cu1.2 O29 V12 | C 1 2/m 1 | 28.014; 3.6166; 10.1446 90; 99.985; 90 | 1012.24 | Kato, K.; Takayama-Muromachi, E.; Kanke, Y. Die Strukturen der Kupfer-Vanadiumbronzen Cux V12 O29 mit x= 1.2, 1.5, 1.9 Acta Crystallographica C (39,1983-), 1989, 45, 1841-1844 |
| 2020265 | CIF | Cu1.5 O29 V12 | C 1 2/m 1 | 28.0143; 3.6192; 10.142 90; 99.722; 90 | 1013.52 | Kato, K.; Takayama-Muromachi, E.; Kanke, Y. Die Strukturen der Kupfer-Vanadiumbronzen Cux V12 O29 mit x= 1.2, 1.5, 1.9 Acta Crystallographica C (39,1983-), 1989, 45, 1841-1844 |
| 2020266 | CIF | Cu1.9 O29 V12 | C 1 2/m 1 | 28.0068; 3.623; 10.1374 90; 99.513; 90 | 1014.48 | Kato, K.; Takayama-Muromachi, E.; Kanke, Y. Die Strukturen der Kupfer-Vanadiumbronzen Cux V12 O29 mit x= 1.2, 1.5, 1.9 Acta Crystallographica C (39,1983-), 1989, 45, 1841-1844 |
| 2020267 | CIF | Cu0.261 O5 V2 | C 1 2/m 1 | 15.2403; 3.6145; 10.1009 90; 107.25; 90 | 531.391 | Kato, K.; Takayama-Muromachi, E.; Kanke, Y. Die Struktur der Kupfer-Vanadiumbronze Cu.261 V2 O5: Eine Verfeinerung Acta Crystallographica C (39,1983-), 1989, 45, 1845-1847 |
| 2020346 | CIF | Cl4 Cs2 O2 U | C 1 2/m 1 | 11.929; 7.704; 5.816 90; 100.02; 90 | 526.344 | Watkin, D.J.; Prout, K.; Denning, R.G. Structure of dicesium tetrachlorodioxouranium(VI) Acta Crystallographica C (39,1983-), 1991, 47, 2517-2519 |
| 2020362 | CIF | Co3 H16 O16 P2 | C 1 2/m 1 | 10.021; 13.331; 4.673 90; 104.9; 90 | 603.276 | Riou, A.; Cudennec, Y.; Gerault, Y. Cobalt(II) orthophosphate octahydrate Acta Crystallographica C (39,1983-), 1989, 45, 1412-1413 |
| 2020382 | CIF | Br4 Ca H16 Mn O8 | C 1 2/m 1 | 9.062; 9.582; 9.405 90; 112.96; 90 | 751.958 | Duhlev, R.; Brown, I.D. Structure of calcium manganese(II) tetrabromide octahydrate Acta Crystallographica C (39,1983-), 1990, 46, 538-541 |
| 2020871 | CIF HKL Paper | C16 H24 Br4 Cu N2 | C 1 2/m 1 | 13.0879; 9.4953; 8.7957 90; 113.631; 90 | 1001.41 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020873 | CIF HKL Paper | C16 H24 Cl4 Cu N2 | C 1 2/m 1 | 12.9074; 9.2262; 8.6377 90; 114.925; 90 | 932.82 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2020874 | CIF HKL Paper | C16 H24 Cl4 Cu N2 | C 1 2/m 1 | 13.191; 9.2068; 8.7242 90; 114.595; 90 | 963.4 | Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 48-60 |
| 2021895 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.3457; 3.8195; 6.9699 90; 100.359; 90 | 297.12 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
| 2021896 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.337; 3.8244; 6.9946 90; 100.308; 90 | 298.37 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
| 2021897 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.3419; 3.8198; 7.0103 90; 100.298; 90 | 298.82 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
| 2021921 | CIF | C12 H2 F2 N4 | C 1 2/m 1 | 10.1713; 5.867; 8.8512 90; 106.969; 90 | 505.2 | Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71 |
| 2022053 | CIF | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022377 | CIF Paper | Mg O7 V2 Zn | C 1 2/m 1 | 10.32882; 8.50126; 9.30814 90; 98.5748; 90 | 808.193 | Hong, Stephanie J.; Li, Jun; Subramanian, Mas A. Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data Acta Crystallographica Section E Crystallographic Communications, 2021, 77, 588-591 |
| 2022437 | CIF HKL Paper | C68 H113.12 Cl2 N18 O10 Th6 | C 1 2/m 1 | 17.6783; 17.2647; 16.383 90; 121.867; 90 | 4246.6 | Kelley, Steven P.; Rungthanaphatsophon, Pokpong; Walensky, Justin R. Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete molecular capsule built from multinuclear organothorium cluster cations Acta Crystallographica Section E Crystallographic Communications, 2021, 77 |
| 2022811 | CIF HKL Paper | C8 H19 Cl2 I N2 O2 | C 1 2/m 1 | 10.5264; 6.7261; 10.8124 90; 105.95; 90 | 736.06 | Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1) Acta Crystallographica Section E Crystallographic Communications, 2023, 79 |
| 2022996 | CIF HKL Paper | Ba2 Mn1.71 Te5 Y0.87 | C 1 2/m 1 | 15.1466; 4.5782; 10.606 90; 116.956; 90 | 655.56 | Yadav, Sweta; Prakash, Jai Synthesis and crystal structure of Ba2Y0.87(1)Mn1.71(1)Te5 Acta Crystallographica Section C Structural Chemistry, 2024, 80 |
| 2023092 | CIF Paper | As2 H7 N Ni3 O10 | C 1 2/m 1 | 10.178; 5.9156; 7.7158 90; 112.658; 90 | 428.71 | Eder, Felix; Weil, Matthias Synthesis and crystal structure of (NH4)[Ni3(HAsO4)(AsO4)(OH)2] Acta Crystallographica Section E Crystallographic Communications, 2024, 80 |
| 2023168 | CIF Paper | C12 H14 Au2 Br2 N2 | C 1 2/m 1 | 16.738; 6.44097; 8.1923 90; 120.415; 90 | 761.66 | Döring, Cindy; Jones, Peter G. Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br). Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 729-737 |
| 2100004 | CIF | Cu0.63 O5 V2 | C 1 2/m 1 | 15.1; 3.6382; 10.0595 90; 105.585; 90 | 532.32 | Streltsov, Victor A.; Nakashima, Philip N. H.; Sobolev, Alexandre N.; Ozerov, Ruslan P. Crystal structure study of a β'-copper vanadium bronze, Cu~x~V~2~O~5~ (x= 0.63), by X-ray and convergent beam electron diffraction Acta Crystallographica, Section B: Structural Science, 2005, 61, 17-24 |
| 2100184 | CIF HKL Paper | Bi2 Cu3.26 I2.62 S3.38 | C 1 2/m 1 | 28.056; 4.1048; 10.58 90; 110.572; 90 | 1140.7 | Tonci Balic-Zunic; Konstantin Mariolacos; Emil Makovicky Structure of a synthetic halogen sulfosalt, Cu~3~Bi~2~S~3~I~3~ Acta Crystallographica Section B, 2005, 61, 239-245 |
| 2100364 | CIF Paper | Al0.1 Nd0.7 O3 Ti0.9 | C 1 2/m 1 | 7.67637; 7.64297; 7.71137 90; 90.042; 90 | 452.428 | Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R. Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis Acta Crystallographica Section B, 2006, 62, 60-67 |
| 2100596 | CIF Paper | C3 H4 K N3 O4 | C 1 2/m 1 | 11.037; 16.419; 7.1497 90; 103.68; 90 | 1258.9 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100598 | CIF Paper | C12 D17 K3 N12 O16 | C 1 2/m 1 | 12.8143; 16.3214; 11.8498 90; 97.52; 90 | 2457 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium–cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100600 | CIF Paper | C12 H16 N12 O16 Rb3 | C 1 2/m 1 | 13.1499; 16.6185; 11.8444 90; 99.584; 90 | 2552.2 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100808 | CIF Paper | Cs3 H O8 Se2 | C 1 2/m 1 | 10.8921; 6.3864; 8.4441 90; 112.422; 90 | 542.98 | Ichikawa, M.; Gustafsson, T.; Olovsson, I. Structural study of the low-temperature phase transition in Cs~3~D(SeO~4~)~2~ Acta Crystallographica Section B, 1992, 48, 633-639 |
| 2100809 | CIF Paper | Cs3 D O8 Se2 | C 1 2/m 1 | 10.8911; 6.383; 8.4483 90; 112.45; 90 | 542.8 | Ichikawa, M.; Gustafsson, T.; Olovsson, I. Structural study of the low-temperature phase transition in Cs~3~D(SeO~4~)~2~ Acta Crystallographica Section B, 1992, 48, 633-639 |
| 2100810 | CIF Paper | Cs3 D O8 Se2 | C 1 2/m 1 | 10.8465; 6.3551; 8.404 90; 112.385; 90 | 535.64 | Ichikawa, M.; Gustafsson, T.; Olovsson, I. Structural study of the low-temperature phase transition in Cs~3~D(SeO~4~)~2~ Acta Crystallographica Section B, 1992, 48, 633-639 |
| 2101141 | CIF Paper | H3 Li O2 | C 1 2/m 1 | 7.4153; 8.3054; 3.195 90; 110.107; 90 | 184.778 | Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C. Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations Acta Crystallographica Section B, 1994, 50, 268-279 |
| 2101248 | CIF Paper | C4 D6 | C 1 2/m 1 | 7.15889; 6.45529; 4.07818 90; 101.053; 90 | 184.967 | Ibberson, R. M.; Prager, M. The <i>Ab initio</i> crystal-structure determination of perdeuterodimethylacetylene by high-resolution neutron powder diffraction Acta Crystallographica Section B, 1995, 51, 71-76 |
| 2101260 | CIF Paper | Bi2 O11 Ti4 | C 1 2/m 1 | 14.6412; 3.8032; 10.7824 90; 136.135; 90 | 416.05 | Kahlenberg, V.; Böhm, H. The structures of α- and β-Bi~2~Ti~4~O~11~ Acta Crystallographica Section B, 1995, 51, 11-18 |
| 2101309 | CIF Paper | H9.5 K2.5 O26 Pt W6 | C 1 2/m 1 | 11.427; 19.832; 13.674 89.99; 101.36; 89.99 | 3038.1 | Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B, 1995, 51, 300-307 |
| 2101651 | CIF Paper | D12 N6 Ni O4 | C 1 2/m 1 | 10.609; 6.773; 5.879 90; 114.86; 90 | 383.3 | Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A.; Schultz, A. J. Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K X-ray and 13 K time-of-flight neutron diffraction data Acta Crystallographica Section B, 1996, 52, 923-931 |
| 2101652 | CIF Paper | D12 N6 Ni O4 | C 1 2/m 1 | 10.609; 6.773; 5.879 90; 114.86; 90 | 383.3 | Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A.; Schultz, A. J. Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K X-ray and 13 K time-of-flight neutron diffraction data Acta Crystallographica Section B, 1996, 52, 923-931 |
| 2102125 | CIF HKL Paper | C7 H3 Cl2 N | C 1 2/m 1 | 18.0525; 20.7374; 3.8334 90; 101.143; 90 | 1408.02 | Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J. Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile Acta Crystallographica Section B, 2000, 56, 822-827 |
| 2102126 | CIF HKL Paper | C7 H3 Br2 N | C 1 2/m 1 | 18.2269; 21.349; 3.9663 90; 101.446; 90 | 1512.7 | Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J. Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile Acta Crystallographica Section B, 2000, 56, 822-827 |
| 2102168 | CIF HKL Paper | C11 H8 S5 | C 1 2/m 1 | 12.075; 11.825; 9.063 90; 102.8; 90 | 1261.9 | Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L. Crystallographic and molecular mechanics investigation of an order–disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione Acta Crystallographica Section B, 2000, 56, 1011-1017 |
| 2102537 | CIF Paper | C6 H18 Cl2 N2 Pd | C 1 2/m 1 | 8.929; 8.437; 7.542 90; 92.65; 90 | 567.6 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
| 2102556 | CIF Paper | Li3 O13 V6 | C 1 2/m 1 | 11.792; 3.9214; 10.189 90; 100.596; 90 | 463.12 | Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O. Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism Acta Crystallographica Section B, 2004, 60, 382-387 |
| 2102557 | CIF Paper | Li3.25 O13 V6 | C 1 2/m 1 | 11.7236; 3.9155; 10.1521 90; 100.592; 90 | 458.08 | Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O. Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism Acta Crystallographica Section B, 2004, 60, 382-387 |
| 2102661 | CIF Paper | Ga4.8 Na0.8 O10 Ti1.2 | C 1 2/m 1 | 12.1008; 3.0113; 10.41 90; 92.258; 90 | 379.04 | Michiue, Yuichi; Sato, Akira Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space Acta Crystallographica, Section B, 2004, 60, 692-697 |
| 2102662 | CIF Paper | Ga4.8 Na0.8 O10 Ti1.2 | C 1 2/m 1 | 12.0848; 3.0101; 10.4014 90; 92.187; 90 | 378.09 | Michiue, Yuichi; Sato, Akira Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space Acta Crystallographica, Section B, 2004, 60, 692-697 |
| 2102663 | CIF Paper | Ga4.8 Na0.8 O10 Ti1.2 | C 1 2/m 1 | 12.0828; 3.0099; 10.4045 90; 92.192; 90 | 378.11 | Michiue, Yuichi; Sato, Akira Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space Acta Crystallographica, Section B, 2004, 60, 692-697 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

