Crystallography Open Database
Search results
Result: there are 1866 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 | archive of CIF files (ZIP)
Searching space group like 'I 41/a :2'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000322 | CIF | F2 Ga4 H6 O16 P3 | I 41/a :2 | 13.455; 13.455; 18.902 90; 90; 90 | 3422 | Loiseau, T; Ferey, G Oxyfluorinated microporous compounds: III. Synthesis and crystal structure of a new gallophosphate: Ga~4~P~3~O~12~F~2~(OH)~2~(H~2~O)~2~, 0.5 DABCO European Journal of Solid State Inorganic Chemistry, 1993, 30, 369-381 |
1001406 | CIF | K0.25 Mo O7 P2 | I 41/a :2 | 21.278; 21.278; 4.9209 90; 90; 90 | 2228 | Leclaire, a; Borel, M M; Grandin, A; Raveau, B Two Molybdenum Diphosphates with a Tunnel Structure Involving Mo(III): K Mo P~2~ O~7~ and K~.17~ Mo P~2~ O~7~ Journal of Solid State Chemistry, 1989, 78, 220-226 |
1001750 | CIF | Cd Mo0.5 O4 W0.5 | I 41/a :2 | 5.1625; 5.1625; 11.1616 90; 90; 90 | 297.5 | Daturi, M; Borel, M M; Leclaire, A; Savary, L; Costentin, G; Lavalley, J C; Raveau, B Crystallographic and catalytic studies of a new solid solution Cd Mox W1-x O4 Journal de Chimie Physique et de Physico-Chimie Biologique, 1996, 93, 2043-2053 |
1001800 | CIF | Cd Mo O4 | I 41/a :2 | 5.156; 5.156; 11.196 90; 90; 90 | 297.6 | Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 Journal of Physical Chemistry, 1997, 101, 4358-4369 |
1001802 | CIF | Cd Mo0.75 O4 W0.25 | I 41/a :2 | 5.158; 5.158; 11.187 90; 90; 90 | 297.6 | Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P Vibrational and XRD study of the system Cd W O4 - Cd Mo O4 Journal of Physical Chemistry, 1997, 101, 4358-4369 |
1004117 | CIF | Bi0.72 Eu0.28 O4 V | I 41/a :2 | 7.28296; 7.28296; 6.43407 90; 90; 90 | 341.3 | Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence Journal of Materials Chemistry, 1996, 6, 385-389 |
1007106 | CIF | Ce Ge O4 | I 41/a :2 | 5.045; 5.045; 11.167 90; 90; 90 | 284.2 | Bertaut, F; Durif, A Etude des germanates de zirconium, cerium et thorium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1954, 238, 2173-2175 |
1007107 | CIF | Ge O4 Th | I 41/a :2 | 5.14; 5.14; 11.54 90; 90; 90 | 304.9 | Bertaut, F; Durif, A Etude des germanates de zirconium, cerium et thorium. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1954, 238, 2173-2175 |
1010067 | CIF | O4 Rb Re | I 41/a :2 | 5.8; 5.8; 13.17 90; 90; 90 | 443 | Jaeger, F M; Beintema, J The crystalstructure of cesium-, thallium- and rubidiumperrhenates Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen, 1933, 36, 523-528 |
1010835 | CIF | Ag O4 Re | I 41/a :2 | 5.35; 5.35; 11.92 90; 90; 90 | 341.2 | Buschendorf, F Die Kristallstruktur des Silberperrhenats. Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1933, 20, 237-244 |
1100455 | CIF | C6 H18 As2 Br N | I 41/a :2 | 8.263; 8.263; 34.909 90; 90; 90 | 2383.49 | Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U. Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br Zeitschrift fuer Anorganische und Allgemeine Chemie, 1997, 623, 676-682 |
1100547 | CIF | C80 H128 N4 P4 Si4 Zn4 | I 41/a :2 | 28.454; 28.454; 11.167 90; 90; 90 | 9041.14 | Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K. Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1434-1442 |
1100660 | CIF | C26 H41 N3 O5 | I 41/a :2 | 26.0133; 26.0133; 15.898 90; 90; 90 | 10758 | Akimoto, Toshio; Hirayama, Noriaki Crystal Structure of Ciclopirox Olamine Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, x21-x22 |
1100752 | CIF | C10 H10 Cl5 Cu5 N2 S2 | I 41/a :2 | 17.5832; 17.5832; 12.1881 90; 90; 90 | 3768.2 | Jian-Kai Cheng; Yu-Biao Chen; Ling Wu; Jian Zhang; Yi-Hang Wen; Zhao-Ji Li; Yuan-Gen Yao A 3-D Noninterpenetrating Diamondoid Network of a Decanuclear Copper(I) Complex Inorganic Chemistry, 2005, 44, 3386-3388 |
1100847 | CIF | C20 H38 B4 Cl2 Ru2 | I 41/a :2 | 33.5236; 33.5236; 8.7943 90; 90; 90 | 9883.3 | Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C. Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~ Organometallics, 2005, 24, 2473-2480 |
1501467 | CIF | K O4 Tc | I 41/a :2 | 5.63; 5.63; 12.867 90; 90; 90 | 407.844 | Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B, 2008, 77, 195118 |
1501468 | CIF | O4 Rb Tc | I 41/a :2 | 5.758; 5.758; 13.54 90; 90; 90 | 448.913 | Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B, 2008, 77, 195118 |
1501624 | CIF | C85 H116 N24 O12 | I 41/a :2 | 23.0674; 23.0674; 16.1892 90; 90; 90 | 8614.4 | Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products Angewandte Chemie International Edition, 2003, 42, 5303-5306 |
1501625 | CIF | C64.2 H80.8 N24 S3.2 | I 41/a :2 | 20.988; 20.988; 16.816 90; 90; 90 | 7407.4 | Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products Angewandte Chemie International Edition, 2003, 42, 5303-5306 |
1501626 | CIF | C46 H30 N12 S | I 41/a :2 | 23.233; 23.233; 16.274 90; 90; 90 | 8784 | Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products Angewandte Chemie International Edition, 2003, 42, 5303-5306 |
1503564 | CIF | C18 H22 N2 | I 41/a :2 | 13.9875; 13.9875; 31.44 90; 90; 90 | 6151.2 | Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K. Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction. Organic letters, 2012, 14, 548-551 |
1503744 | CIF | C32 H33 N O6 | I 41/a :2 | 20.435; 20.435; 28.385 90; 90; 90 | 11853.3 | Cheng, Xin; Liang, Fushun; Shi, Fan; Zhang, Lei; Liu, Qun One-pot tandem double-aldol reaction/aza-addition of acetylacetamides and o-phthalaldehyde leading to spiroindan-2,2'-pyrrolidines. Organic letters, 2009, 11, 93-96 |
1503998 | CIF | C54 H74 Cl6 O4 Se4 | I 41/a :2 | 28.2866; 28.2866; 14.7993 90; 90; 90 | 11841.4 | Thomas, Joice; Maes, Wouter; Robeyns, Koen; Ovaere, Margriet; Van Meervelt, Luc; Smet, Mario; Dehaen, Wim Homoselenacalix[n]arenes. Organic letters, 2009, 11, 3040-3043 |
1504006 | CIF | C9 H9 N3 | I 41/a :2 | 16.9796; 16.9796; 11.4331 90; 90; 90 | 3296.24 | Liang, Lei; Li, Zhengkai; Zhou, Xiangge Pyridine N-oxides as ligands in Cu-catalyzed N-arylation of imidazoles in water. Organic letters, 2009, 11, 3294-3297 |
1504439 | CIF | C36 H23 B F20 O4 | I 41/a :2 | 34.2576; 34.2576; 13.1525 90; 90; 90 | 15435.6 | Zhang, Yuetao; Chen, Eugene Y.-X. Structure−Reactivity Relationships in Bimolecular-Activated Monomer Polymerization of (Meth)acrylates Using Oxidatively Activated Group 14 Ketene Acetals Macromolecules, 2008, 41, 6353 |
1505576 | CIF | C80 H104 Cl2 N2 Na2 O26 | I 41/a :2 | 34.7389; 34.7389; 14.3489 90; 90; 90 | 17316.1 | Hsueh, Sheng-Yao; Lai, Chien-Chen; Liu, Yi-Hung; Wang, Yu; Peng, Shie-Ming; Chiu, Sheng-Hsien Protecting a squaraine near-IR dye through its incorporation in a slippage-derived [2]rotaxane. Organic letters, 2007, 9, 4523-4526 |
1505672 | CIF | C16 H29 Cl N4 O4 | I 41/a :2 | 30.683; 30.683; 8.352 90; 90; 90 | 7863 | Barkalow, Jufang H.; Breting, Jeffrey; Gaede, Bruce J.; Haight, Anthony R.; Henry, Rodger; Kotecki, Brian; Mei, Jianzhang; Pearl, Kurt B.; Tedrow, Jason S.; Viswanath, Shekhar K. Process Development for ABT-472, a Benzimidazole PARP Inhibitor Organic Process Research & Development, 2007, 11, 693 |
1505785 | CIF | C30 H40 N2 O4 Ti | I 41/a :2 | 25.548; 25.548; 18.319 90; 90; 90 | 11956.8 | Chmura, Amanda J.; Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F.; Johnson, Anthony F.; Khunkamchoo, Prasert; Roberts, Sian L.; Wong, Stephen S. F. Group 4 Complexes with Aminebisphenolate Ligands and Their Application for the Ring Opening Polymerization of Cyclic Esters Macromolecules, 2006, 39, 7250 |
1505944 | CIF | C12 H15 N O2 | I 41/a :2 | 18.011; 18.011; 14.279 90; 90; 90 | 4632 | Evans, David A.; Aye, Yimon; Wu, Jimmy Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine. Organic letters, 2006, 8, 2071-2073 |
1506891 | CIF | C31.25 H29.25 Cl8.75 N5 O4 Ru S2 | I 41/a :2 | 31.901; 31.901; 15.8767 90; 90; 90 | 16157.3 | Zhang, Lilu; Carroll, Patrick; Meggers, Eric Ruthenium complexes as protein kinase inhibitors. Organic letters, 2004, 6, 521-523 |
1507392 | CIF | C36 H28 N4 O2 Zn | I 41/a :2 | 22.812; 22.812; 11.423 90; 90; 90 | 5944.4 | Teo, Tang-Lin; Vetrichelvan, Muthalagu; Lai, Yee-Hing Infinite three-dimensional polymeric metalloporphyrin network via six-coordinate Zn(II) and two axial oxygen donors. Organic letters, 2003, 5, 4207-4210 |
1507685 | CIF | C32 H44 B N5 O2 | I 41/a :2 | 31.319; 31.319; 13.7184 90; 90; 90 | 13456 | Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P. [3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide. Organic letters, 2012, 14, 2690-2693 |
1507854 | CIF | C12 H20 O | I 41/a :2 | 22.319; 22.319; 8.5732 90; 90; 90 | 4270.6 | Gao, Peng; Cook, Silas P. A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins. Organic letters, 2012, 14, 3340-3343 |
1507946 | CIF | C56 H48.2 Mn2 N24 Nb O8.2 | I 41/a :2 | 20.5155; 20.5155; 15.0907 90; 90; 90 | 6351.5 | Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko Light-induced spin-crossover magnet. Nature chemistry, 2011, 3, 564-569 |
1507947 | CIF | C56 Fe2 N24 Nb O10 | I 41/a :2 | 20.2001; 20.2001; 14.9565 90; 90; 90 | 6102.9 | Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko Light-induced spin-crossover magnet. Nature chemistry, 2011, 3, 564-569 |
1508074 | CIF | C26 H48 N2 Si2 U | I 41/a :2 | 31.4069; 31.4069; 23.029 90; 90; 90 | 22716 | Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L. Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride. Nature chemistry, 2010, 2, 723-729 |
1508099 | CIF | C132 H160 N48 O36 Pd6 S16 | I 41/a :2 | 27.886; 27.886; 30.086 90; 90; 90 | 23396 | Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto Networked molecular cages as crystalline sponges for fullerenes and other guests. Nature chemistry, 2010, 2, 780-783 |
1508194 | CIF | C60.25 H99 Ge O2 | I 41/a :2 | 38.9676; 38.9676; 14.2661 90; 90; 90 | 21662.7 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508472 | CIF | C7 H8 B Br3 F4 N2 | I 41/a :2 | 23.6138; 23.6138; 18.8371 90; 90; 90 | 10503.8 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508475 | CIF | C7 H6 B Br3 F4 N2 | I 41/a :2 | 23.4674; 23.4674; 18.6531 90; 90; 90 | 10272.6 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1509390 | CIF | Ag I O4 | I 41/a :2 | 5.379; 5.379; 12.037 90; 90; 90 | 348.274 | Birkenbach, L.; Buschendorf, F. Darstellung und Krystallstruktur des normalen (meta-) Silverperjodats Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1932, 16, 102-112 |
1510361 | CIF | Au2 Ba O4 | I 41/a :2 | 6.4297; 6.4297; 10.251 90; 90; 90 | 423.787 | Kraemer, G.; Jansen, M. M Au2 O4 (M=Sr, Ba), die ersten Oxoaurate(III) mit dreidimensional vernetzter anionischer Teilstruktur Journal of Solid State Chemistry, 1995, 118, 247-253 |
1510452 | CIF | Au2 O4 Sr | I 41/a :2 | 6.1823; 6.1823; 10.1704 90; 90; 90 | 388.721 | Jansen, M.; Kraemer, G. M Au2 O4 (M=Sr, Ba), die ersten Oxoaurate(III) mit dreidimensional vernetzter anionischer Teilstruktur Journal of Solid State Chemistry, 1995, 118, 247-253 |
1510828 | CIF | B2 S3 | I 41/a :2 | 16.086; 16.086; 30.488 90; 90; 90 | 7889.06 | Sasaki, T.; Uheda, K.; Endo, T.; Yamashita, T.; Takizawa, H. High-pressure synthesis and crystal structure of B2 S3 Journal of Solid State Chemistry, 2002, 166, 164-170 |
1511369 | CIF | B10 F12 | I 41/a :2 | 6.4118; 6.4118; 27.551 90; 90; 90 | 1132.65 | Timms, P.L.; Pardoe, J.A.J.; Norman, N.C.; Rankin, D.W.H.; Parsons, S.; Mackie, I.; Pulham, C.R. The surprising structures of B8 F12 and B10 F12 Angew. Chem. Int. ed., 2003, 42, 571-573 |
1512299 | CIF | C25 H22 N O2.5 | I 41/a :2 | 20.591; 20.591; 18.738 90; 90; 90 | 7945 | Somai Magar, Krishna Bahadur; Lee, Yong Rok Synthesis of Diverse Indene Derivatives from 1-Diazonaphthalen-2(1H)-ones via Thermal Cascade Reactions. Organic letters, 2013, 15, 4288-4291 |
1512640 | CIF | C63 H76 Co N4 Na O25 S4 | I 41/a :2 | 20.9614; 20.9614; 16.1294 90; 90; 90 | 7086.9 | Sadhna Mathura; Alvaro S. de Sousa; Manuel A. Fernandes; Helder M. Marques 5,10,15,20-Tetra-p-phenylsulfonyporphinatocobalt(III), a water-soluble Co(III) porphyrin Inorganica Chimica Acta, 2012, 392, 108-111 |
1512998 | CIF | C40 H56 Ni4 O20 | I 41/a :2 | 22.447; 22.447; 9.628 90; 90; 90 | 4851.2 | Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties Inorganica Chimica Acta, 2013, 396, 119-125 |
1513000 | CIF | C40 H56 Co4 O20 | I 41/a :2 | 22.105; 22.105; 9.754 90; 90; 90 | 4766.1 | Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties Inorganica Chimica Acta, 2013, 396, 119-125 |
1513577 | CIF HKL | C6 H4 Cl2 O | I 41/a :2 | 26.127; 26.127; 3.7926 90; 90; 90 | 2588.9 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!