Crystallography Open Database
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Result : There are 92 entries in the selection
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Searching space group like 'P 42/m b c'
| COD ID: 1000183 | |
| CIF file | Formula: - Al F4 H4 N - Comments: Bulou, A; Leble, A; Hewat, A W NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement Materials Research Bulletin 17 (1982) 391-397 Space group: P 42/m b c Cell volume: 325 Cell parameters: 5.0564; 5.0564; 12.7113; 90; 90; 90; |
| COD ID: 1000275 | |
| CIF file | Formula: - Al F4 H3.88 N0.97 Rb0.03 - Comments: Jouanneaux, A; Leble, A; Pannetier, J; Fourquet, J L A neutron powder diffraction study of Rb~x~ (N H~4~)~1-x~ Al F~4~ mixed compounds Journal of Physics: Condensed Matter 1 (1989) 1577-1588 Space group: P 42/m b c Cell volume: 325 Cell parameters: 5.0569; 5.0569; 12.7091; 90; 90; 90; |
| COD ID: 1005028 | |
| CIF file | Formula: - Ge N2 Sr2 - Comments: Clarke, S J; Kowach, G R; DiSalvo, F J Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2 Inorganic Chemistry 35 (1996) 7009-7012 Space group: P 42/m b c Cell volume: 749.7 Cell parameters: 11.773; 11.773; 5.409; 90; 90; 90; |
| COD ID: 1010994 | |
| CIF file | Formula: - O2 Se - Comments: McCullough, J D The Crystal Structure of Selenium Dioxide Journal of the American Chemical Society 59 (1937) 789-794 Space group: P 42/m b c Cell volume: 352.4 Cell parameters: 8.353; 8.353; 5.051; 90; 90; 90; |
| COD ID: 1519748 | |
| CIF file | Formula: - C58 H50 Cl4 Mn3 N26 O16 - Comments: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C58 H50 Cl4 Mn3 N26 O16 Crystal Structure Report Archive (2005) 1064 Space group: P 42/m b c Cell volume: 9508 Cell parameters: 22.06; 22.06; 19.537; 90; 90; 90; |
| COD ID: 1521541 | |
| CIF file | Formula: - Al2 F3 Na3.12 O8 P2 - Comments: le Meins, J.M.; Crosnier-Lopez, M.P.; Courbion, G.; Hemon-Ribaud, A. Phase transitions in the Na3 M2 (P O4)2 F3 family (M = Al(3+), V(3+), Cr(3+), Fe(3+), Ga(3+)) : synthesis, thermal, structural and magnetic studies Journal of Solid State Chemistry 148 (1999) 260-277 Space group: P 42/m b c Cell volume: 1602.34 Cell parameters: 12.406; 12.406; 10.411; 90; 90; 90; |
| COD ID: 1521542 | |
| CIF file | Formula: - Al2 F3 Na3.296 O8 P2 - Comments: le Meins, J.M.; Crosnier-Lopez, M.P.; Hemon-Ribaud, A.; Courbion, G. Phase transitions in the Na3 M2 (P O4)2 F3 family (M = Al(3+), V(3+), Cr(3+), Fe(3+), Ga(3+)) : synthesis, thermal, structural and magnetic studies Journal of Solid State Chemistry 148 (1999) 260-277 Space group: P 42/m b c Cell volume: 1592.47 Cell parameters: 12.382; 12.382; 10.387; 90; 90; 90; |
| COD ID: 1530748 | |
| CIF file | Formula: - Cl24 P4 Ti - Comments: Shamir, J.; Schneider, S.; Cohen, S.; Bino, A. New double salt (P Cl4)3 (Ti Cl6) (P Cl6) and related compounds in the P Cl5 - Ti Cl4 system. Synthesis and structural determination by Raman spectroscopy and X-ray analysis Inorganica Chimica Acta 111 (1986) 141-147 Space group: P 42/m b c Cell volume: 2987.16 Cell parameters: 14.648; 14.648; 13.922; 90; 90; 90; |
| COD ID: 1532751 | |
| CIF file | Formula: - H Li S - Comments: Winkler, B.; Hytha, M.; Milman, V. The low-temperature structure of Li S H Phase Transition 76 (2003) 187-195 Space group: P 42/m b c Cell volume: 376.524 Cell parameters: 7.829; 7.829; 6.143; 90; 90; 90; |
| COD ID: 1534439 | |
| CIF file | Formula: - O4 Sb2 Zn - Comments: Gavarri, J.R. Evoluton structurale d'oxydes isomorphes Me X2 O4: Relation entre dilation, vibrations et rigidite Journal of Solid State Chemistry 43 (1982) 12-28 Space group: P 42/m b c Cell volume: 427.893 Cell parameters: 8.501; 8.501; 5.921; 90; 90; 90; |
| COD ID: 1534446 | |
| CIF file | Formula: - Ni O4 Sb2 - Comments: Gavarri, J.R. Evoluton structurale d'oxydes isomorphes Me X2 O4: Relation entre dilation, vibrations et rigidite Journal of Solid State Chemistry 43 (1982) 12-28 Space group: P 42/m b c Cell volume: 414.094 Cell parameters: 8.372; 8.372; 5.908; 90; 90; 90; |
| COD ID: 1534597 | |
| CIF file | Formula: - Mg O4 Sb2 - Comments: Giroux-Maraine, C.; Perez, G. Structure cristalline de l'antimonite de magnesium Mg Sb2 O4 Revue de Chimie Minerale 12 (1975) 427-432 Space group: P 42/m b c Cell volume: 608.938 Cell parameters: 8.476; 8.476; 8.476; 90; 90; 90; |
| COD ID: 1534792 | |
| CIF file | Formula: - O2 Se - Comments: Grzechnik, A.; Farina, L.; Bouvier, P.; Lauck, R.; Loa, I.; Syassen, K. Pressure-induced transformations in Se O2 Journal of Solid State Chemistry 168 (2002) 184-191 Space group: P 42/m b c Cell volume: 331.233 Cell parameters: 8.1463; 8.1463; 4.99129; 90; 90; 90; |
| COD ID: 1535058 | |
| CIF file | Formula: - Cl2 Co6 O12 Te3 - Comments: Becker, R.; Johnsson, M. Crystal structure of the new compound Co6 (Te O3)2 (Te O6) Cl2 Solid State Sciences 6 (2004) 519-522 Space group: P 42/m b c Cell volume: 1305.81 Cell parameters: 8.3871; 8.3871; 18.5634; 90; 90; 90; |
| COD ID: 1535511 | |
| CIF file | Formula: - Mn4 Si6 Zr3 - Comments: Tkachuk, A.V.; Crerar, S.J.; Mar, A. Synthesis and structure of ternary transition-metal silicides Zr3 Mn4 Si6 and Hf3 Mn4 Si6 Journal of Solid State Chemistry 177 (2004) 3939-3943 Space group: P 42/m b c Cell volume: 1498.67 Cell parameters: 17.1325; 17.1325; 5.1058; 90; 90; 90; |
| COD ID: 1537983 | |
| CIF file | Formula: - O4 Pb3 - Comments: Bystroem, A.M. Lead oxide Arkiv foer Kemi, Mineralogi och Geologi 25 (1947) 13-13 Space group: P 42/m b c Cell volume: 509.01 Cell parameters: 8.806; 8.806; 6.564; 90; 90; 90; |
| COD ID: 1539514 | |
| CIF file | Formula: - O4 Sb2 Zn - Comments: Stahl, S. The crystal structure of Zn Sb3 O4 and isomorpous compounds Arkiv foer Kemi, Mineralogi och Geologi 17 (1943) 1-7 Space group: P 42/m b c Cell volume: 429.394 Cell parameters: 8.508; 8.508; 5.932; 90; 90; 90; |
| COD ID: 1540910 | |
| CIF file | Formula: - Ba3 F10 H4 O6 Ti2 - Comments: Schmidt, R.; Pausewang, G. Peroxofluorokomplexe der Uebergangsmetalle. Part IX. Kristallstruktur von Ba3 (Ti (O2) F5)2 (H2 O)2 Zeitschrift fuer Anorganische und Allgemeine Chemie 575 (1989) 197-201 Space group: P 42/m b c Cell volume: 1266.02 Cell parameters: 12.485; 12.485; 8.122; 90; 90; 90; |
| COD ID: 1543942 | |
| CIF file | Formula: - C88 H24 O4 - Comments: Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells. Chemical science 8(1) (2017) 181-188 Space group: P 42/m b c Cell volume: 9653 Cell parameters: 26.123; 26.123; 14.146; 90; 90; 90; |
| COD ID: 2000360 | |
| CIF file | Formula: - C23 H32 O8 - Comments: Drouin, M.; Lamothe, S.; Michel, A. G. Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions Acta Crystallographica Section C 48(12) (1992) 2151-2154 Space group: P 42/m b c Cell volume: 4649.1 Cell parameters: 13.1959; 13.1959; 26.6986; 90; 90; 90; |
| COD ID: 2002165 | |
| CIF file | Formula: - Cl24 P3 Re2 - Comments: Beck, J; Mueller-Buschbaum, K; Wolf, F On tetrachlorophosphonium chlorometallates of rhenium and molybdenum: Syntheses, crystal structures and magnetism of (P Cl4)2 (Re2 Cl10) and (P Cl4)3 (Re Cl6)2 and the magnetic properties of (P Cl4)2 (Mo2 Cl10) Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 975-981 Space group: P 42/m b c Cell volume: 3051.6 Cell parameters: 14.962; 14.962; 13.6315; 90; 90; 90; |
| COD ID: 2005725 | |
| CIF file | Formula: - C19 H14 Cl2 Mn2 O6 - Comments: Utz, T. L.; Geib, S. J.; Cooper, N. J. Solvate-Dependent Polymorphism: Crystallization of [{Mn(CO)~3~}~2~{μ-(η^5^-C~6~H~6~-η^5^-C~6~H~6~)}] from CH~2~Cl~2~ as a Mono-Solvate in the Rare Tetragonal Space Group <i>P</i>4~2~/<i>mbc</i> Acta Crystallographica Section C 52(12) (1996) 2992-2994 Space group: P 42/m b c Cell volume: 1983.4 Cell parameters: 12.529; 12.529; 12.635; 90; 90; 90; |
| COD ID: 2106395 | |
| CIF file | Formula: - Co H11 N3 O10 P3 - Comments: Merritt, E.A.; Sundaralingam, M. Structure and chelation geometry of alpha, beta, gamma-tridentate triammine(dihydrogentriphosphato)cobalt(III), (Co (N H3)3 (H2 P3 O10)) Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1505-1509 Space group: P 42/m b c Cell volume: 2246.91 Cell parameters: 12.892; 12.892; 13.519; 90; 90; 90; |
| COD ID: 2205431 | |
| CIF file | Formula: - C5 H10 O2 - Comments: Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley Ethyl propionate at 185K Acta Crystallographica Section E 61(4) (2005) o1118-o1120 Space group: P 42/m b c Cell volume: 624.13 Cell parameters: 9.5153; 9.5153; 6.8933; 90; 90; 90; |
| COD ID: 2207675 | |
| CIF file | Formula: - C12 H26 N4 S2 - Comments: Cui, Jian-Zhong; Zhang, Dan; Lu, Fan-Li; Gao, Hong-Ling; Wang, Hai-Tao <i>N</i>,<i>N</i>'-Bis(3-dimethylaminopropyl)dithiooxamide Acta Crystallographica Section E 61(12) (2005) o4011-o4012 Space group: P 42/m b c Cell volume: 1715.2 Cell parameters: 14.4361; 14.4361; 8.2304; 90; 90; 90; |
| COD ID: 2208515 | |
| CIF file | Formula: - C14 H8 N2 - Comments: Thorup, Niels; Eskildsen, Jørgen; Christensen, Jørn B. Acenaphtho[1,2-<i>b</i>]pyrazine Acta Crystallographica Section E 62(4) (2006) o1291-o1292 Space group: P 42/m b c Cell volume: 2048.09 Cell parameters: 11.9243; 11.9243; 14.404; 90; 90; 90; |
| COD ID: 2237915 | |
| CIF file | Formula: - Ba2 Ge S10 Sb4 - Comments: Geng, Lei Ba~2~Sb~4~GeS~10~ Acta Crystallographica Section E 69(5) (2013) i24 Space group: P 42/m b c Cell volume: 1745.16 Cell parameters: 11.3119; 11.3119; 13.6384; 90; 90; 90; |
| COD ID: 2239712 | |
| CIF file | Formula: - C14 H10 Cl2 Mn N2 S2 - Comments: Bouchareb, Hasna; Benmebarek, Sabrina; Bouacida, Sofiane; Merazig, Hocine; Boudraa, Mhamed <i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido] Acta Crystallographica Section E 70(7) (2014) m275 Space group: P 42/m b c Cell volume: 1562.3 Cell parameters: 14.761; 14.761; 7.17; 90; 90; 90; |
| COD ID: 4000548 | |
| CIF file | Formula: - Mn0.639 O4 Pb1.186 Sb1.175 - Comments: Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng Chemistry of Materials (2005) Space group: P 42/m b c Cell volume: 463.2 Cell parameters: 8.6126; 8.6126; 6.2444; 90; 90; 90; |
| COD ID: 4000549 | |
| CIF file | Formula: - Mn0.92 O4 Pb0.44 Sb1.64 - Comments: Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng Chemistry of Materials (2005) Space group: P 42/m b c Cell volume: 453.7 Cell parameters: 8.64111; 8.64111; 6.07624; 90; 90; 90; |
| COD ID: 4000550 | |
| CIF file | Formula: - Mn0.77 O4 Pb0.75 Sb1.48 - Comments: Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng Chemistry of Materials (2005) Space group: P 42/m b c Cell volume: 457.8 Cell parameters: 8.62028; 8.62028; 6.1609; 90; 90; 90; |
| COD ID: 4000551 | |
| CIF file | Formula: - Mn0.67 O4 Pb1.07 Sb1.26 - Comments: Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng Chemistry of Materials (2005) Space group: P 42/m b c Cell volume: 461.7 Cell parameters: 8.60767; 8.60767; 6.23142; 90; 90; 90; |
| COD ID: 4000927 | |
| CIF file | Formula: - C17 H44 N7 Ta - Comments: Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L. New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films Chemistry of Materials 22(1) (2010) 27 Space group: P 42/m b c Cell volume: 4598.6 Cell parameters: 17.835; 17.835; 14.457; 90; 90; 90; |
| COD ID: 4027941 | |
| CIF file | Formula: - C30 H26 N2 - Comments: Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization Journal of Organic Chemistry 78 (2013) 1329-1342 Space group: P 42/m b c Cell volume: 19804.1 Cell parameters: 20.6073; 20.6073; 46.635; 90; 90; 90; |
| COD ID: 4060653 | |
| CIF file | Formula: - C25 H15 B F4 N O2 Rh - Comments: Organometallics (2006) Space group: P 42/m b c Cell volume: 14668 Cell parameters: 20.232; 20.232; 35.833; 90; 90; 90; |
| COD ID: 4067195 | |
| CIF file | Formula: - C31 H26 Fe2 O4 P2 S2 - Comments: Hogarth, Graeme; Kabir, Shariff E.; Richards, Idris Diphosphine Mobility at a Binuclear Metal Center: A Concerted Double Trigonal-Twist in Bis(dithiolate) Complexes [M2(CO)4(μ-dppm){μ-S(CH2)nS}] (M = Fe, Ru;n= 2, 3) Organometallics 29(23) (2010) 6559 Space group: P 42/m b c Cell volume: 5975.3 Cell parameters: 17.228; 17.228; 20.132; 90; 90; 90; |
| COD ID: 4077018 | |
| CIF file | Formula: - C18 H32 Cu F6 N4 O6 S2 - Comments: 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 21(21) (2002) 4513 Space group: P 42/m b c Cell volume: 2588.47 Cell parameters: 12.6921; 12.6921; 16.0685; 90; 90; 90; |
| COD ID: 4124678 | |
| CIF file | Formula: - O2 Se - Comments: McCullough, J.D. The crystal structure of selenium dioxide Journal of the American Chemical Society 59 (1937) 789-794 Space group: P 42/m b c Cell volume: 354.558 Cell parameters: 8.37; 8.37; 5.061; 90; 90; 90; |
| COD ID: 4306902 | |
| CIF file | Formula: - D4.52 H0.48 O8.5 Si Ti2 - Comments: Aaron J. Celestian; John B. Parise; Ronald I. Smith; Brian H. Toby; Abraham Clearfield Role of the Hydroxyl-Water Hydrogen-Bond Network in Structural Transitions and Selectivity toward Cesium in Cs0.38(D1.08H0.54)SiTi2O7.(D0.86H0.14)2O Crystalline Silicotitanate Inorganic Chemistry 46 (2007) 1081-1089 Space group: P 42/m b c Cell volume: 1457.38 Cell parameters: 11.07041; 11.07041; 11.8917; 90; 90; 90; |
| COD ID: 4310706 | |
| CIF file | Formula: - H7 O15 P U3 - Comments: Peter C. Burns; Cara M. Alexopoulos; Peter J. Hotchkiss; Andrew J. Locock An Unprecedented Uranyl Phosphate Framework in the Structure of [(UO2)3(PO4)O(OH)(H2O)2](H2O) Inorganic Chemistry 43 (2004) 1816-1818 Space group: P 42/m b c Cell volume: 2569.9 Cell parameters: 14.0153; 14.0153; 13.0833; 90; 90; 90; |
| COD ID: 4310713 | |
| CIF file | Formula: - O2 Se - Comments: Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2 Inorganic Chemistry 43 (2004) 2097-2104 Space group: P 42/m b c Cell volume: 351.529 Cell parameters: 8.335; 8.335; 5.06; 90; 90; 90; |
| COD ID: 4321047 | |
| CIF file | Formula: - Ca2 Ge N2 - Comments: S. J. Clarke; F. J. DiSalvo New Calcium Germanium Nitrides: Ca2GeN2, Ca4GeN4, and Ca5Ge2N6 Inorganic Chemistry 39 (2000) 2631-2634 Space group: P 42/m b c Cell volume: 633.29 Cell parameters: 11.2004; 11.2004; 5.0482; 90; 90; 90; |
| COD ID: 4324190 | |
| CIF file | Formula: - C46 H80 B2 N12 Ni2 O8 P2 - Comments: Luisa López-Banet; M. Dolores Santana; Gabriel García; Luis García; José Pérez; Teófilo Rojo; Luis Lezama; Jean-Pierre Costes Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters Inorganic Chemistry 50 (2011) 437-443 Space group: P 42/m b c Cell volume: 5606.75 Cell parameters: 16.533; 16.533; 20.512; 90; 90; 90; |
| COD ID: 4332740 | |
| CIF file | Formula: - C10 H10 Cr Eu N2 O12 - Comments: Zhai, Bin; Yi, Long; Wang, Hong-Shen; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping First 3D 3d−4f Interpenetrating Structure: Synthesis, Reaction, and Characterization of {[LnCr(IDA)2(C2O4)]}n Inorganic Chemistry 45(21) (2006) 8471-8473 Space group: P 42/m b c Cell volume: 1459 Cell parameters: 10.799; 10.799; 12.511; 90; 90; 90; |
| COD ID: 4332741 | |
| CIF file | Formula: - C10 H10 Cr N2 O12 Sm - Comments: Zhai, Bin; Yi, Long; Wang, Hong-Shen; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping First 3D 3d−4f Interpenetrating Structure: Synthesis, Reaction, and Characterization of {[LnCr(IDA)2(C2O4)]}n Inorganic Chemistry 45(21) (2006) 8471-8473 Space group: P 42/m b c Cell volume: 1470.6 Cell parameters: 10.8168; 10.8168; 12.5692; 90; 90; 90; |
| COD ID: 4342744 | |
| CIF file | Formula: - P2 S8 Sr U - Comments: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2. Inorganic chemistry 54(6) (2015) 2970-2975 Space group: P 42/m b c Cell volume: 1152.43 Cell parameters: 10.9717; 10.9717; 9.5734; 90; 90; 90; |
| COD ID: 4342745 | |
| CIF file | Formula: - Ba P2 S8 U - Comments: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2. Inorganic chemistry 54(6) (2015) 2970-2975 Space group: P 42/m b c Cell volume: 1198.96 Cell parameters: 11.1405; 11.1405; 9.6604; 90; 90; 90; |
| COD ID: 4342746 | |
| CIF file | Formula: - P2 S8 Sr Th - Comments: Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2. Inorganic chemistry 54(6) (2015) 2970-2975 Space group: P 42/m b c Cell volume: 1176.4 Cell parameters: 11.0284; 11.0284; 9.6725; 90; 90; 90; |
| COD ID: 4343266 | |
| CIF file | Formula: - C10 H2 Cd O8 - Comments: Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks. Inorganic chemistry 54(13) (2015) 6169-6175 Space group: P 42/m b c Cell volume: 3376.5 Cell parameters: 13.795; 13.795; 17.743; 90; 90; 90; |
| COD ID: 4347759 | |
| CIF file | Formula: - C8 H10 Ge N2 - Comments: Aysin, R. R.; Leites, L. A.; Bukalov, S. S.; Zabula, A. V.; West, R. Molecular Structures of N,N'-Dimethylbenzimidazoline-2-germylene and -stannylene in Solution and in Solid State by Means of Optical (Raman and UV-vis) Spectroscopy and Quantum Chemistry Methods. Inorganic chemistry 55(10) (2016) 4698-4700 Space group: P 42/m b c Cell volume: 1819 Cell parameters: 16.2; 16.2; 6.93; 90; 90; 90; |
| COD ID: 4507694 | |
| CIF file | Formula: - H2 O18 P4 Tl3 U2 - Comments: Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate Crystal Growth & Design 13(4) (2013) 1721 Space group: P 42/m b c Cell volume: 3555.8 Cell parameters: 13.5382; 13.5382; 19.4008; 90; 90; 90; |
| COD ID: 7001475 | |
| CIF file | Formula: - C25 H29 N3 O2 Pt - Comments: Sarkar, Biprajit; Hübner, Ralph; Pattacini, Roberto; Hartenbach, Ingo Combining two non-innocent ligands in isomeric complexes [Pt(pap)mQn]0 (pap = phenylazopyridine, Q = 3,5-di-tert-butyl-benzoquinone Dalton Transactions (issue 24) (2009) 4653-4655 Space group: P 42/m b c Cell volume: 4915.1 Cell parameters: 26.8885; 26.8885; 6.7983; 90; 90; 90; |
| COD ID: 7008492 | |
| CIF file | Formula: - C6 H12 Si3 - Comments: Johnston, Blair F.; Mitzel, Norbert W.; Rankin, David W. H.; Robertson, Heather E.; Rüdinger, Christoph; Schmidbaur, Hubert The experimental gas-phase structures of 1,3,5-trisilylbenzene and hexasilylbenzene and the theoretical structures of all benzenes with three or more silyl substituents. Dalton transactions (Cambridge, England : 2003) (issue 13) (2005) 2292-2299 Space group: P 42/m b c Cell volume: 2107.5 Cell parameters: 11.3393; 11.3393; 16.3909; 90; 90; 90; |
| COD ID: 7016045 | |
| CIF file | Formula: - C18 H22 Fe Se2 - Comments: Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T. Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes). Dalton transactions (Cambridge, England : 2003) 40(26) (2011) 7022-7032 Space group: P 42/m b c Cell volume: 1730 Cell parameters: 15.71; 15.71; 7.0097; 90; 90; 90; |
| COD ID: 7022760 | |
| CIF file | Formula: - C35 H36 B Cl2 N - Comments: Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene. Dalton transactions (Cambridge, England : 2003) 42(13) (2013) 4625-4632 Space group: P 42/m b c Cell volume: 6095.18 Cell parameters: 17.2578; 17.2578; 20.4652; 90; 90; 90; |
| COD ID: 7031598 | |
| CIF file | Formula: - C2 H8 Br K0.63 Mn O10.38 Ru - Comments: Hou, Xiao-Feng; Jia, Yan-Yan; Yang, Jian-Hui; Cao, Zhi; Liu, Bin Isomeric chain structures of {[Mn(H2O)4]2Ru2(CO3)4Br2}n(n-): syntheses, structural diversity and magnetic properties. Dalton transactions (Cambridge, England : 2003) 43(35) (2014) 13316-13324 Space group: P 42/m b c Cell volume: 2273.7 Cell parameters: 11.9037; 11.9037; 16.046; 90; 90; 90; |
| COD ID: 7042034 | |
| CIF file | Formula: - C72 H112 Cu5 N14 O32 S3 - Comments: Yao, Shuo; Xu, Tong; Zhao, Nian; Zhang, Lirong; Huo, Qisheng; Liu, Yunling An anionic metal-organic framework with ternary building units for rapid and selective adsorption of dyes. Dalton transactions (Cambridge, England : 2003) 46(10) (2017) 3332-3337 Space group: P 42/m b c Cell volume: 27509 Cell parameters: 31.236; 31.236; 28.194; 90; 90; 90; |
| COD ID: 7050589 | |
| CIF file | Formula: - C3 H4 N2 O3 S - Comments: Mezei, Gellert; Raptis, Raphael G. Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture New Journal of Chemistry 27(9) (2003) 1399 Space group: P 42/m b c Cell volume: 1085 Cell parameters: 10.863; 10.863; 9.1947; 90; 90; 90; |
| COD ID: 7106650 | |
| CIF file | Formula: - C33 H39 Cl Fe N7 O4 - Comments: Chakadola Panda; Tamas Panda; Munmun Ghosh; Rahul Banerjee; Sayam Sen Gupta Fe(III) complex of biuret-amide based macrocyclic ligand as peroxidase enzyme mimic Chem.Commun. 47 (2011) 8016 Space group: P 42/m b c Cell volume: 7338 Cell parameters: 22.169; 22.169; 14.93; 90; 90; 90; |
| COD ID: 7107935 | |
| CIF file | Formula: - C46 H48 Co8 N6 O27 - Comments: Jiong-Peng Zhao; Qian Yang; Zhong-Yi Liu; Ran Zhao; Bo-Wen Hu; Miao Du; Ze Chang; Xian-He Bu A unique substituted Co(II)-formate coordination framework exhibits weak ferromagnetic single-chain-magnet like behavior Chem.Commun. 48 (2012) 6568 Space group: P 42/m b c Cell volume: 6075.7 Cell parameters: 19.244; 19.244; 16.406; 90; 90; 90; |
| COD ID: 7108769 | |
| CIF file | Formula: - C46.5 H42.5 Ag3 Cl4.5 N6 O24 - Comments: Qihui Chen; Feilong Jiang; Daqiang Yuan; Lian Chen; Guangxun Lyu; Maochun Hong Anion-driven self-assembly: from discrete cages to infinite polycatenanes step by step Chem.Commun. 49 (2013) 719 Space group: P 42/m b c Cell volume: 12801 Cell parameters: 23.153; 23.153; 23.88; 90; 90; 90; |
| COD ID: 7110792 | |
| CIF file | Formula: - C8 H5 Co N9 - Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−] Chemical Communications (issue 9) (2000) 793 Space group: P 42/m b c Cell volume: 2164.59 Cell parameters: 17.1243; 17.1243; 7.3816; 90; 90; 90; |
| COD ID: 7110793 | |
| CIF file | Formula: - C8 H5 Co N9 - Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−] Chemical Communications (issue 9) (2000) 793 Space group: P 42/m b c Cell volume: 2182.04 Cell parameters: 17.2018; 17.2018; 7.3742; 90; 90; 90; |
| COD ID: 7110794 | |
| CIF file | Formula: - C8 H5 N9 Ni - Comments: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S. Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−] Chemical Communications (issue 9) (2000) 793 Space group: P 42/m b c Cell volume: 2134.06 Cell parameters: 17.0863; 17.0863; 7.3099; 90; 90; 90; |
| COD ID: 7118023 | |
| CIF file | Formula: - C9 H21 N S - Comments: L. H. Finger; F. Wohde; E. I. Grigoryev; A.-K. Hansmann; R. Berger; B. Roling; J. Sundermeyer Access to pure and highly volatile hydrochalcogenide ionic liquids Chem.Commun. 51 (2015) 16169 Space group: P 42/m b c Cell volume: 2193.58 Cell parameters: 15.6635; 15.6635; 8.9408; 90; 90; 90; |
| COD ID: 7123894 | |
| CIF file | Formula: - C63.75 H116.5 Al2 Li2 N2 O2 Sc - Comments: Martinez-Martinez, Antonio J.; Kennedy, Alan; Paprocki, Valerie; Fantuzzi, Felipe; Dewhurst, Rian David; O'Hara, Charles T.; Braunschweig, Holger; Mulvey, Robert E. Selective Mono- and Dimetallation of a Group 3 Sandwich Complex Chemical Communications (2019) Space group: P 42/m b c Cell volume: 6303.7 Cell parameters: 20.6285; 20.6285; 14.8136; 90; 90; 90; |
| COD ID: 7124640 | |
| CIF file | Formula: - C44 H42 Co4 N4 O14 - Comments: Su, Lei; Song, Wei-Chao; Zhao, Jiong-Peng; Liu, Fu-Chen Crystal engineering to control the magnetic interaction between weak ferromagnetic single-chain magnets assembled in a 3D framework. Chemical communications (Cambridge, England) 52(56) (2016) 8722-8725 Space group: P 42/m b c Cell volume: 10923 Cell parameters: 25.569; 25.569; 16.707; 90; 90; 90; |
| COD ID: 7207985 | |
| CIF file | Formula: - C16 H12 N16 O6 Pb4 - Comments: Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission CrystEngComm 14(11) (2012) 3982 Space group: P 42/m b c Cell volume: 2628.5 Cell parameters: 13.4523; 13.4523; 14.525; 90; 90; 90; |
| COD ID: 7219509 | |
| CIF file | Formula: - As2 Co O4 - Comments: Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties RSC Adv. (2015) Space group: P 42/m b c Cell volume: 391.406 Cell parameters: 8.3453; 8.3453; 5.6201; 90; 90; 90; |
| COD ID: 7219510 | |
| CIF file | Formula: - As2 Ni O4 - Comments: Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties RSC Adv. (2015) Space group: P 42/m b c Cell volume: 379.9 Cell parameters: 8.2277; 8.2277; 5.612; 90; 90; 90; |
| COD ID: 7221061 | |
| CIF file | Formula: - C10 H10 Cr Gd N2 O12 - Comments: Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant CrystEngComm 17(38) (2015) 7270 Space group: P 42/m b c Cell volume: 1460.6 Cell parameters: 10.8092; 10.8092; 12.501; 90; 90; 90; |
| COD ID: 7222993 | |
| CIF file | Formula: - Pd S0.49 Se0.51 - Comments: Kliche, G.; Koehler, J.; Bauhofer, W. Roentgenographische, elektrische und spektroskopische Untersuchungen an den Palladiumchalkogeniden PdS1-xSex Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 47 (1992) 383-388 Space group: P 42/m b c Cell volume: 859.964 Cell parameters: 11.23; 11.23; 6.819; 90; 90; 90; |
| COD ID: 7230604 | |
| CIF file | Formula: - C10 H6 N20 O2 Zn3 - Comments: Liu, Chuanfang; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan Synthesis of an ultra-stable metal‒organic framework for proton conduction CrystEngComm 20(23) (2018) 3158 Space group: P 42/m b c Cell volume: 4073.2 Cell parameters: 14.3715; 14.3715; 19.721; 90; 90; 90; |
| COD ID: 7234194 | |
| CIF file | Formula: - Cr2.5 F15 K2.59 Mn2.5 - Comments: Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric Journal of Materials Chemistry C 3 (2015) 4321-4332 Space group: P 42/m b c Cell volume: 1282.84 Cell parameters: 12.68202; 12.68202; 7.97617; 90; 90; 90; |
| COD ID: 7239513 | |
| CIF file | Formula: - C19 H18 Cl Hg N O3 - Comments: Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling Rational design of a reusable chemodosimeter for the selective detection of Hg2+ Journal of Materials Chemistry A 1(18) (2013) 5501 Space group: P 42/m b c Cell volume: 3865.7 Cell parameters: 23.616; 23.616; 6.9313; 90; 90; 90; |
| COD ID: 7240282 | |
| CIF file | Formula: - O52 P9 Rb11.02 U8 - Comments: Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space CrystEngComm (2020) Space group: P 42/m b c Cell volume: 6239.8 Cell parameters: 25.7697; 25.7697; 9.3962; 90; 90; 90; |
| COD ID: 7243488 | |
| CIF file | Formula: - B7 Ba12 F4 Li O21 - Comments: Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I. The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals CrystEngComm 23(37) (2021) 6599-6609 Space group: P 42/m b c Cell volume: 2729.82 Cell parameters: 13.5174; 13.5174; 14.9399; 90; 90; 90; |
| COD ID: 7701614 | |
| CIF file | Formula: - C5 H K0.63 Mn N2.37 O4 - Comments: Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors. Dalton transactions (Cambridge, England : 2003) 48(27) (2019) 10199-10209 Space group: P 42/m b c Cell volume: 1383.88 Cell parameters: 8.2634; 8.2634; 20.2666; 90; 90; 90; |
| COD ID: 7709049 | |
| CIF file | Formula: - C28 H22 In N3 O8 - Comments: Zhang, Chengcheng; Qin, Yuanyuan; Duan, Lijuan; Wang, Lu; Wu, Yuewei; Guo, Yan; Song, Weiming; Liu, Xiangyu pH-dependent formation of three porous In(III)-MOFs: framework diversity and selective gas adsorption Dalton Transactions (2022) Space group: P 42/m b c Cell volume: 9360.5 Cell parameters: 20.2125; 20.2125; 22.9119; 90; 90; 90; |
| COD ID: 7713169 | |
| CIF file | Formula: - B7 Ba11.72563 F4 Li O21 - Comments: Bekker, T. B.; Ryadun, Alexey A.; Rashchenko, Sergey V.; Davydov, Aleksey V. LiBa12(BO3)7F4 (LBBF) crystals doped with Eu3+, Tb3+, Ce3+: structure and luminescence properties Dalton Transactions (2023) Space group: P 42/m b c Cell volume: 2738.07 Cell parameters: 13.536; 13.536; 14.9439; 90; 90; 90; |
| COD ID: 8100283 | |
| CIF file | Formula: - C16 H36 B Br6 I3 N4 O4 - Comments: Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B. Crystal structure of tetrakis(N,N-dimethylacetamide-O)borane tris (dibromoiodide), {B[CH~3~CON(CH~3~)~2~)]~4~}(Br~2~I)~3~ Zeitschrift für Kristallographie - New Crystal Structures 218(1) (2003) 123-124 Space group: P 42/m b c Cell volume: 3586.6 Cell parameters: 13.032; 13.032; 21.119; 90; 90; 90; |
| COD ID: 8101145 | |
| CIF file | Formula: - Pd Se - Comments: Ijjaali, Ismail; Ibers, James A. Crystal structure of palladium selenide, PdSe Zeitschrift für Kristallographie - New Crystal Structures 216(4) (2001) 485-486 Space group: P 42/m b c Cell volume: 935.89 Cell parameters: 11.5646; 11.5646; 6.9978; 90; 90; 90; |
| COD ID: 9000738 | |
| CIF file | Formula: - As0.4 Fe4.56 O12 S0.84 Sb3.84 Zn0.2 - Comments: Mellini, M.; Merlino, S. Versliaite and apuanite: Derivative structures related to schafarzikite American Mineralogist 64 (1979) 1235-1242 Space group: P 42/m b c Cell volume: 1259.81 Cell parameters: 8.372; 8.372; 17.974; 90; 90; 90; |
| COD ID: 9008417 | |
| CIF file | Formula: - O2 Se - Comments: Stahl, K.; Legros, J. P.; Galy, J. The crystal structure of SeO2 at 139 and 286 K Note: T = 139 K Zeitschrift fur Kristallographie 202 (1992) 99-107 Space group: P 42/m b c Cell volume: 350.008 Cell parameters: 8.3218; 8.3218; 5.0541; 90; 90; 90; |
| COD ID: 9008418 | |
| CIF file | Formula: - O2 Se - Comments: Stahl, K.; Legros, J. P.; Galy, J. The crystal structure of SeO2 at 139 and 286 K Note: T = 286 K Zeitschrift fur Kristallographie 202 (1992) 99-107 Space group: P 42/m b c Cell volume: 353.911 Cell parameters: 8.3622; 8.3622; 5.0612; 90; 90; 90; |
| COD ID: 9009564 | |
| CIF file | Formula: - Fe O4 Sb2 - Comments: Zemann, J. Formel und kristallstruktur des schafarzikits Tschermaks Mineralogische und Petrographische Mitteilungen 2 (1951) 166-175 Space group: P 42/m b c Cell volume: 436.826 Cell parameters: 8.59; 8.59; 5.92; 90; 90; 90; |
| COD ID: 9009565 | |
| CIF file | Formula: - As2 Cu O4 - Comments: Zemann, J. Formel und kristallstruktur des trippkeits Note: coordinates of Cu and As corrected per Pertlik, 1975 Tschermaks Mineralogische und Petrographische Mitteilungen 2 (1951) 417-423 Space group: P 42/m b c Cell volume: 410.262 Cell parameters: 8.59; 8.59; 5.56; 90; 90; 90; |
| COD ID: 9009582 | |
| CIF file | Formula: - As2 Cu O4 - Comments: Pertlik, F. Verfeinerung der kristallstruktur von synthetischem trippkeit, CuAs2O4 Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 211-217 Space group: P 42/m b c Cell volume: 411.413 Cell parameters: 8.592; 8.592; 5.573; 90; 90; 90; |
| COD ID: 9009583 | |
| CIF file | Formula: - Fe O4 Sb2 - Comments: Fischer, R.; Pertlik, F. Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4 Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 236-241 Space group: P 42/m b c Cell volume: 436.309 Cell parameters: 8.59; 8.59; 5.913; 90; 90; 90; |
| COD ID: 9012124 | |
| CIF file | Formula: - O4 Pb3 - Comments: Gavarri, J. R.; Weigel, D. Oxydes de plomb. I. structure cristalline du minium Pb3O4, a temperature ambiante (293 K) Sample: T = 293 K Journal of Solid State Chemistry 13 (1975) 252-257 Space group: P 42/m b c Cell volume: 509.51 Cell parameters: 8.811; 8.811; 6.563; 90; 90; 90; |
| COD ID: 9014369 | |
| CIF file | Formula: - Na11 O14 Si4 Ti4 - Comments: Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample Chemistry of Materials 22 (2010) 4222-4231 Space group: P 42/m b c Cell volume: 1354.92 Cell parameters: 10.6772; 10.6772; 11.885; 90; 90; 90; |
| COD ID: 9015344 | |
| CIF file | Formula: - Fe O4 Sb2 - Comments: Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa Journal of Physics: Condensed Matter 18 (2006) S1021-S1037 Space group: P 42/m b c Cell volume: 433.787 Cell parameters: 8.5758; 8.5758; 5.8983; 90; 90; 90; |
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