Crystallography Open Database
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Searching space group like 'I 1 2/m 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000046 | CIF | Ca5 H10 O22 Si6 | I 1 2/m 1 | 5.593; 3.645; 22.45599 90; 96.97; 90 | 454.4 | Hoffmann, C; Armbruster, T Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure Zeitschrift fuer Kristallographie (149,1979-), 1997, 212, 863-873 |
1008058 | CIF | Ni Rh2 Se4 | I 1 2/m 1 | 6.2821; 3.6491; 10.844 90; 92.24; 90 | 248.4 | Bouchard, R J The crystal structure and transport properties of Ni Rh~2~ Se~4~ Inorganic Chemistry, 1969, 8, 850-856 |
1008079 | CIF | Cr2 Ni S4 | I 1 2/m 1 | 5.94; 3.42; 11.14 90; 91.05; 90 | 226.3 | Andron, B; Bertaut, E F Etude par Diffraction neutronique de Cr~2~ Ni S~4~ Journal de Physique (Paris), 1966, 27, 619-626 |
1008813 | CIF | Ba1.2 Mg1.2 O16 Ti6.8 | I 1 2/m 1 | 10.227; 14.907; 9.964 90; 90.77; 90 | 1518.9 | Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P. Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 Hollandite. Acta Crystallographica B (39,1983-), 1987, 43, 440-448 |
1008921 | CIF | Cr3 Se4 | I 1 2/m 1 | 6.299; 3.607; 11.731 90; 91.87; 90 | 266.4 | Chevreton, M; Bertaut, F Etude de seleniures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1961, 253, 145-147 |
1008948 | CIF | Ba1.2 Mg1.2 O16 Ti6.8 | I 1 2/m 1 | 10.227; 2.981; 9.964 90; 90.77; 90 | 303.7 | Fanchon, E; Vicat, J; Hodeau, J L; Wolfers, P; Duc Tran Qui; Strobel, P Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 hollandite. Acta Crystallographica B (39,1983-), 1987, 43, 440-448 |
1010188 | CIF | Cl6 K2 Te | I 1 2/m 1 | 7.17; 7.17; 10.14 90; 90; 90 | 521.3 | Engel, G Die Kristallstrukturen einiger Hexachlorokomplexsalze. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 341-373 |
1011146 | CIF | Ca2 H2 Mg5 O24 Si8 | I 1 2/m 1 | 9.78; 17.79999; 5.26 90; 73.97; 90 | 880.1 | Warren, B E The crystal structure and chemical composition of the monoclinic amphiboles. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 72, 493-516 |
1011222 | CIF | Ca2 H2 Mg5 O24 Si8 | I 1 2/m 1 | 9.77; 17.79999; 5.26 90; 73.97; 90 | 879.2 | Warren, B E The structure of tremolite H2 Ca2 Mg5 (Si O3)8 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1929, 72, 42-57 |
1510367 | CIF | Au2 Br6 Rb2 | I 1 2/m 1 | 8.52; 7.243; 11.21 90; 101.24; 90 | 678.504 | Koelmel, M.; Straehle, J.; Gelinek, J. Ueber den thermischen Abbau einiger Alkalimetall- und Ammoniumhalogenoaurate(III) und die Kristallstruktur der Zersetzungsprodukte Rb2 Au2 Br6, Rb3 Au3 Cl8 und Au (N H3) Cl3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 241-460 |
1510540 | CIF | Au4 In7 La3 | I 1 2/m 1 | 4.6042; 13.895; 10.396 90; 90; 90 | 665.088 | Poettgen, R.; Hoffmann, R.D.; Galadzhun, Ya.V.; Zaremba, V.I.; Kal'ichak, Ya.M. The Structure of La3 Au4 In7 and its relation to the Ba Al4 Type Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1773-1777 |
1510868 | CIF | B28 Tb1.069 | I 1 2/m 1 | 5.855; 10.3354; 8.2808 90; 89.512; 90 | 501.084 | Zhang, F.; Tanaka, T.; Mori, T. Synthesis and magnetic properties of binary boride RE B25 compounds Journal of Physics: Condensed Matter, 2001, 13, 423-430 |
1513977 | CIF | Li2.72 Mn6.64 O16 | I 1 2/m 1 | 9.834; 2.7846; 10.191 90; 92.27; 90 | 278.85 | Botkovitz, P.; Brec, R.; Deniard, P.; Tournoux, M.; Burr, G. Electrochemical and neutron diffraction study of a prelithiated hollandite-type Lix Mn O2 phase Molecular Crystals and Liquid Crystals, 1994, 244, 233-238 |
1515794 | CIF | C68 H88 Cl2 Ge2 O2 | I 1 2/m 1 | 14.3831; 10.975; 19.628 90; 95.579; 90 | 3083.7 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
1515795 | CIF | C72 H84 Cl2 Sn2 | I 1 2/m 1 | 14.908; 11.003; 19.38 90; 98.493; 90 | 3144.1 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
1521081 | CIF | Bi18 O42 P4 Pb5 | I 1 2/m 1 | 11.885; 11.54; 15.636 90; 90.23; 90 | 2144.5 | Giraud, S.; Steinfink, H.; Swinnea, S.; Wignacourt, J.P.; Harlow, R. Crystal structure of Pb5 Bi18 P4 O42: a fluorite-related superstructure Journal of Solid State Chemistry, 2000, 151, 181-189 |
1521773 | CIF | Cr2.75 Ni0.25 S4 | I 1 2/m 1 | 5.8693; 3.41244; 11.055 90; 91.544; 90 | 221.336 | Powell, A.V.; Colgan, D.C.; Ritter, C. Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4) Journal of Solid State Chemistry, 1999, 143, 163-173 |
1521774 | CIF | Cr2.5 Ni0.5 S4 | I 1 2/m 1 | 5.891; 3.41377; 11.101 90; 91.67; 90 | 223.152 | Powell, A.V.; Colgan, D.C.; Ritter, C. Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4) Journal of Solid State Chemistry, 1999, 143, 163-173 |
1524792 | CIF | Fe3 Ni2 Se4 | I 1 2/m 1 | 6.17; 3.56; 10.94 90; 91.73; 90 | 240.19 | Lambert-Andron, B.; Babot, D.; Berodias, G. Structures magnetiques des composes M Fe2 Se4 (M = Ti, V, Cr, Fe, Co, Ni) Journal of Physics and Chemistry of Solids, 1972, 33, 87-87 |
1525987 | CIF | Mn0.55 O1.7 Ta0.45 | I 1 2/m 1 | 3.5005; 3.573; 5.0015 90; 91.677; 90 | 62.528 | Esmaeilzadeh, S.; Lidin, S.; Nygren, M.; Grins, J. Single crystal refinement of the incommensurately modulated Mn0.55 Ta0.45 O1.7, an oxygen deficient fluorite type compound Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 148-159 |
1526700 | CIF | D26 Eu6 Mg7 | I 1 2/m 1 | 14.0939; 5.6455; 11.509 90; 90.683; 90 | 915.673 | Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K. High-pressure synthesis of novel europium magnesium hydrides Journal of Alloys Compd., 2001, 322, 59-68 |
1526759 | CIF | Ba Ce0.85 O2.925 Y0.15 | I 1 2/m 1 | 6.231; 8.76; 6.214 90; 90.58; 90 | 339.165 | Takeuchi, K.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526761 | CIF | Ba Ce0.8 O2.9 Y0.2 | I 1 2/m 1 | 6.242; 8.731; 6.23 90; 91.15; 90 | 339.46 | Takeuchi, K.; Dorris, S.E.; Loong, C.-K.; Guan, J.; Richardson, J.W.jr.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526763 | CIF | Ba Ce0.75 O2.875 Y0.25 | I 1 2/m 1 | 6.239; 8.726; 6.235 90; 91.24; 90 | 339.363 | Takeuchi, K.; Loong, C.-K.; Balachandran, U.; Guan, J.; Dorris, S.E.; Richardson, J.W.jr. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526768 | CIF | Ba Ce0.7 O2.85 Y0.3 | I 1 2/m 1 | 6.243; 8.725; 6.243 90; 91.54; 90 | 339.934 | Takeuchi, K.; Balachandran, U.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526784 | CIF | C59 Na3.82 | I 1 2/m 1 | 11.24; 11.71; 10.25 90; 96.08; 90 | 1341.52 | Kubozono, Y.; Fujiki, S.; Kambe, T.; Takabayashi, Y.; Kashino, S.; Emura, S. Structure and physical properties of Na4 C60 under ambient and highpressure Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 0454181-0454189 |
1527085 | CIF | Cr6.665 Te7.998 | I 1 2/m 1 | 6.857; 3.954; 12.272 90; 91.17; 90 | 332.656 | Andresen, A.F. The magnetic structure of Cr2 Te3, Cr3 Te4 and Cr5 Te6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 3495-3509 |
1527086 | CIF | Fe3 Se4 | I 1 2/m 1 | 6.208; 3.541; 11.281 90; 91.807; 90 | 247.862 | Andresen, A.F.; van Laar, R. The magnetic structure of Fe3 Se4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 2435-2439 |
1528320 | CIF | Ba2 H20 K4 Mn Na4 O66 Si16 Ti8 | I 1 2/m 1 | 14.2446; 13.7884; 15.5 90; 116.709; 90 | 2719.53 | Armbruster, T.; Krivovichev, S.V.; Organova, N.N.; Weber, T.; Gnos, E.; Yakovenchuk, V.N.; Shlyukova, Z.V. Origin of diffuse superstructure reflections in labuntsovite-group minerals American Mineralogist, 2004, 89, 1655-1666 |
1528499 | CIF | Ba2 Nb Nd O6 | I 1 2/m 1 | 6.07918; 6.04547; 8.53909 90; 90.134; 90 | 313.824 | Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry, 2006, 179, 1022-1028 |
1528503 | CIF | Ba2 La Nb O6 | I 1 2/m 1 | 6.14448; 6.09131; 8.604 90; 90.348; 90 | 322.024 | Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry, 2006, 179, 1022-1028 |
1528560 | CIF | La4 O7 Pt | I 1 2/m 1 | 9.7993; 4.0014; 9.4905 90; 91.759; 90 | 371.956 | Hansen, T.J.; Macquart, R.B.; zur Loye, H.C.; Smith, M.D. Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7 Solid State Sciences, 2007, 9, 785-791 |
1528637 | CIF | La1.667 Mg O6 Ta | I 1 2/m 1 | 5.6304; 5.6226; 7.9434 90; 90.04; 90 | 251.468 | Khalyavin, D.D.; Vieira, L.G.; Senos, A.M.R.; Argyriou, D.N.; Gomes, I.T.; Mantas, P.Q.; Ribeiro, J.L. Structure and dielectric characterization of a new A-site deficient La5/3 Mg Ta O6 perovskite Journal of Solid State Chemistry, 2007, 180, 41-48 |
1529095 | CIF | H0.95 Mo O3 | I 1 2/m 1 | 14.5263; 3.7944; 7.7219 90; 93.727; 90 | 424.72 | Adams, S.; Moretzki, O.; Canadell, E. Global instability index optimisation for the localization of mobile protons Solid State Ionics, 2004, 168, 281-290 |
1530968 | CIF | Mo2 S4 V | I 1 2/m 1 | 5.949; 3.236; 11.67 90; 92.91; 90 | 224.369 | Wada, H.; Nozaki, H.; Onoda, M.; Kawada, I. Phase relations and structure of V3-x Mox S4 (0<x<2) Journal of Solid State Chemistry, 1986, 63, 369-376 |
1531183 | CIF | D26 Mg7 Sr6 | I 1 2/m 1 | 14.254; 5.6711; 11.575 90; 90.588; 90 | 935.626 | Bertheville, B.; Kohlmann, H.; Sheptyakov, D.; Yvon, K. Sr6 Mg7 H26, a new saline high-pressure hydride with (Ba6 Zn7 F26)-type structure Journal of Alloys Compd., 2003, 356, 128-132 |
1531989 | CIF | Cl1.16 Fe7.6 H9.56 Ni0.4 O16 | I 1 2/m 1 | 10.587; 3.0311; 10.515 90; 90.03; 90 | 337.429 | Post, J.E.; Heaney, P.J.; von Dreele, R.B.; Hanson, J.C. Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganeite American Mineralogist, 2003, 88, 782-788 |
1532432 | CIF | C0.8 B14 Y0.6 | I 1 2/m 1 | 8.278; 10.327; 5.86 90; 90.46; 90 | 500.937 | Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Sato, A.; Tanaka, T.; Bando, Y. Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures Journal of Alloys Compd., 2002, 337, 120-127 |
1532433 | CIF | C4.513 B25 Y1.01 | I 1 2/m 1 | 16.0238; 21.7577; 5.6412 90; 90.182; 90 | 1966.74 | Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Tanaka, T.; Sato, A.; Bando, Y. Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures Journal of Alloys Compd., 2002, 337, 120-127 |
1532808 | CIF | Co0.6 Cr2 Cu0.4 Se4 | I 1 2/m 1 | 6.288; 3.608; 11.728 90; 91.304; 90 | 266.005 | Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A. Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4 Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997, 2001, 18, 54-57 |
1533416 | CIF | Bi18 O42 P4 Pb5 | I 1 2/m 1 | 11.9539; 11.6004; 15.724 90; 90.25; 90 | 2180.43 | Giraud, S.; Obbade, S.; Suard, E.; Wignacourt, J.P.; Steinfink, H. Structures and ionic conductivities in two fluorite type families: Pb5 Bi17 X5 O43 and Pb5 Bi18 X4 O42 (X = P, V and As) Solid State Sciences, 2003, 5, 335-341 |
1533804 | CIF | Ba5.93 O80 Ti40 | I 1 2/m 1 | 9.9942; 14.7851; 10.2655 90; 90.88; 90 | 1516.7 | Hoeche, T.; Ruessel, C.; Keding, R.; Olhe, P.; van Aken, P.A.; Schneider, R.; Stemmer, S.; Wang Xiqu; Jacobson, A.J.; Kleebe, H.J. Synthesis and characterization of mixed-valence barium titanates Philosophical Magazine, Serie 8(1956-), 2003, 83, 165-178 |
1534361 | CIF | Cr3 Se4 | I 1 2/m 1 | 6.32; 3.62; 11.77 90; 91.67; 90 | 269.164 | Chevreton, M.; Bertaut, E.F. Etude de seleniures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1961, 253, 145-147 |
1536345 | CIF | Cs2 Cu3 F10 Mg | I 1 2/m 1 | 7.149; 7.368; 9.404 90; 96.29; 90 | 492.363 | Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M= Mg, Mn, Co, Ni), Varianten des (CsCu2F5)-Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000 |
1536349 | CIF | Cs2 Cu3 F10 Ni | I 1 2/m 1 | 7.163; 7.377; 9.382 90; 97.09; 90 | 491.968 | Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000 |
1536353 | CIF | Co Cs2 Cu3 F10 | I 1 2/m 1 | 7.178; 7.391; 9.394 90; 97.49; 90 | 494.124 | Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000 |
1536800 | CIF | H11.5 K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 | I 1 2/m 1 | 13.033; 18.717; 12.264 90; 99.62; 90 | 2949.59 | Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Khomyakov, A.P. Crystal structure of a new natural (Na, Mn, Ti)-phyllosilicate Kristallografiya, 1996, 41, 257-262 |
1537570 | CIF | Fe3 Se4 | I 1 2/m 1 | 6.2; 3.53; 11.26 90; 91.73; 90 | 246.324 | Lambert-Andron, B.; Berodias, G. Etude par diffraction neutronique de Fe3 Se4 Solid State Communications, 1969, 7, 623-629 |
1541112 | CIF | Ba Bi O3 | I 1 2/m 1 | 6.1908; 6.145; 8.6785 90; 90.164; 90 | 330.15 | Pei, S.; Jorgensen, J.D.; Dabrowski, B.; Sinha, S.K.; Vaknin, D.; Mitchell, A.W.; Hinks, D.G.; Richards, D.R.; Newsam, J.M.; Jacobson, A.J. Structural phase diagram of the Ba1-x Kx Bi O3 system Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1990, 41, 4126-4141 |
1541113 | CIF | Ba0.9 Bi K0.1 O3 | I 1 2/m 1 | 6.1551; 6.1088; 8.6256 90; 90.077; 90 | 324.325 | Pei, S.; Jorgensen, J.D.; Hinks, D.G.; Dabrowski, B.; Jacobson, A.J.; Newsam, J.M.; Richards, D.R.; Mitchell, A.W.; Vaknin, D.; Sinha, S.K. Structural phase diagram of the Ba1-x Kx Bi O3 system Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1990, 41, 4126-4141 |
1541776 | CIF | C3 H7 Cl N6 | I 1 2/m 1 | 8.5287; 17.0442; 9.1844 90; 92.165; 90 | 1334.14 | Jing, H.-P.; Stroebele, M.; Weisser, M.; Meyer, H.J. Die Kristallstruktur von wasserfreiem Melaminiumchlorid Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 368-370 |
1544360 | CIF | In O6 Sr2 Ta | I 1 2/m 1 | 5.7764; 5.776; 8.1566 90; 90.09; 90 | 272.14 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
1544721 | CIF | Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 | I 1 2/m 1 | 9.907; 2.865; 9.676 90; 90.52; 90 | 274.6 | Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal, 1990, 15, 50-63 |
1550680 | CIF | C138 H202 F19 N6 O18 S6 | I 1 2/m 1 | 18.9188; 10.3807; 35.7997 90; 97.509; 90 | 6970.4 | Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019 |
1551545 | CIF | C246 H126 Co6 N8 P6 Te8 | I 1 2/m 1 | 26.5695; 17.056; 21.1219 90; 104.26; 90 | 9276.9 | Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry, 2017, 9, 1170-1174 |
1557509 | CIF | C53 H31 Cu2 N O12 | I 1 2/m 1 | 25.8186; 22.6806; 27.2079 90; 109.69; 90 | 15000.9 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
1559160 | CIF | C12.8 H10 Fe N10 O0.4 Pt | I 1 2/m 1 | 14.8483; 7.1717; 15.88 90; 92.699; 90 | 1689.1 | Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020 |
1559162 | CIF | C12.8 H10 Fe N10 O0.4 Pt | I 1 2/m 1 | 14.9798; 7.3662; 16.181 90; 91.922; 90 | 1784.5 | Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020 |
1560371 | CIF | C9 H15 B F4 N6 | I 1 2/m 1 | 10.535; 6.4885; 18.7172 90; 92.323; 90 | 1278.39 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
1561443 | CIF | C60 H90 Al6 Cu7.33 | I 1 2/m 1 | 12.9999; 17.2545; 16.5285 90; 97.741; 90 | 3673.7 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
1562683 | CIF HKL | C30 H38 Cu2 N4 O19 | I 1 2/m 1 | 8.8717; 18.8801; 9.9362 90; 100.916; 90 | 1634.19 | Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride Transition Metal Chemistry, 2021, 46, 283-290 |
1565706 | CIF | C18 H18 Cl2 Cu N12 O9 | I 1 2/m 1 | 15.599; 10.704; 21.315 90; 105; 90 | 3438 | Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai Anion control in the complexation of cucurbit[6]uril with Cu(II) salts Inorganica Chimica Acta, 2020, 499, 119183 |
1567307 | CIF | C46 H64 N2 O2 | I 1 2/m 1 | 13.809; 8.7376; 17.19 90; 99.585; 90 | 2045.1 | Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606 |
1568589 | CIF | Cl2 H12 Ni O6 | I 1 2/m 1 | 6.5628; 7.033; 8.7326 90; 96.723; 90 | 400.29 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
1568590 | CIF | Cl2 H12 Ni O6 | I 1 2/m 1 | 6.5579; 7.0244; 8.7291 90; 96.702; 90 | 399.36 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
1571152 | CIF | C26 H42 Cl2 N2 Si2 | I 1 2/m 1 | 10.53; 10.929; 12.931 90; 96.525; 90 | 1478.5 | Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K Synthesis and structural properties of <i>para</i>-diselenopyrazines. Chemical communications (Cambridge, England), 2024, 60, 3786-3789 |
1572374 | CIF | C2 H9 N3 O3 S | I 1 2/m 1 | 10.0029; 7.3514; 10.4776 90; 102.8; 90 | 751.33 | Li, Yang; Chen, Xinglong; Ok, Kang Min Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties. Chemical science, 2024, 15, 15145-15151 |
1572636 | CIF | C240 H172 Cl8 N12 | I 1 2/m 1 | 20.1388; 53.4956; 31.8306 90; 106.792; 90 | 32830.1 | Stawski, Wojciech; Anderson, Harry Laurence Polymorphism and flexibility of six-porphyrin nanorings in the solid state Chemical Science, 2024 |
1572938 | CIF | C122 H113 B3 F12 N43 Pd2 | I 1 2/m 1 | 16.859; 23.453; 17.529 90; 90.35; 90 | 6931 | Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage Chemical Science, 2024 |
2004763 | CIF Paper | C12 H24 Hg I2 O6 | I 1 2/m 1 | 9.236; 11.236; 9.283 90; 90.44; 90 | 963.3 | El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F. Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~ Acta Crystallographica Section C, 1996, 52, 818-820 |
2011341 | CIF HKL Paper | C16 H24 Cl2 N2 O4 | I 1 2/m 1 | 11.255; 6.865; 11.953 90; 104.15; 90 | 895.5 | Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko 2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate Acta Crystallographica Section C, 2000, 56, 1144-1145 |
2014172 | CIF Paper | C16 H40 Cl6 N2 Pd2 | I 1 2/m 1 | 8.7249; 12.238; 13.062 90; 91.973; 90 | 1393.9 | Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)] Acta Crystallographica Section C, 2004, 60, m426-m430 |
2020150 | CIF | Ga10 Ge O20 Pb3 | I 1 2/m 1 | 14.751; 11.695; 5.106 90; 90.23; 90 | 880.844 | Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-), 1983, 39, 921-925 |
2020151 | CIF | Ba3 Fe10 O20 Sn | I 1 2/m 1 | 15.443; 11.9068; 5.2473 90; 90.945; 90 | 964.725 | Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-), 1983, 39, 921-925 |
2020376 | CIF | Pb4 S13 Sb6 | I 1 2/m 1 | 23.698; 3.98; 24.466 90; 93.9; 90 | 2302.24 | Skowron, A.; Brown, I.D. Refinement of the structure of robinsonite, Pb4 Sb6 S13 Acta Crystallographica C (39,1983-), 1990, 46, 527-531 |
2100570 | CIF Paper | Ba Bi O3 | I 1 2/m 1 | 6.18505; 6.13219; 8.65846 90; 90.2288; 90 | 328.395 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
2100573 | CIF Paper | Ba2 Bi O6 Sb | I 1 2/m 1 | 6.06777; 6.01862; 8.50818 90; 90.2161; 90 | 310.713 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
2102519 | CIF Paper | C14 H24 Fe N2 O8 | I 1 2/m 1 | 11.78; 9.734; 8.401 90; 104.05; 90 | 934.5 | 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 |
2103798 | CIF Paper | C8 H12 S8 Tc2 | I 1 2/m 1 | 11.361; 8.303; 8.987 90; 95.25; 90 | 844.2 | Clemente, Dore Augusto; Marzotto, Armando 22 Space-group changes Acta Crystallographica Section B, 2003, 59, 43-50 |
2104994 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.37; 12.57; 8.114 90; 101.48; 90 | 1236.4 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2105020 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.37; 12.57; 8.114 90; 101.48; 90 | 1236.4 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2105021 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.379; 12.558; 8.12 90; 101.68; 90 | 1236.2 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2105964 | CIF | C2 H2 Ca O5 | I 1 2/m 1 | 9.978; 7.295; 6.292 90; 107.07; 90 | 437.82 | Deganello, S The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1981, 37, 826-829 |
2106074 | CIF | Ag3 H2 O10 P3 | I 1 2/m 1 | 9.326; 10.925; 9.276 90; 106.5; 90 | 906.18 | Baur, W.H.; Tillmanns, E. How to avoid unneccessarily low symmetry in crystal structure determinations Acta Crystallographica B (39,1983-), 1986, 42, 95-111 |
2106452 | CIF | Ba2 Bi2 O6 | I 1 2/m 1 | 6.1736; 6.1237; 8.6507 90; 90.29; 90 | 327.038 | Thornton, G.; Jacobson, A.J. A neutron diffraction determination of the structures of Ba2 Sb(V) Bi(III) O6 and Ba2 Bi(V) Bi(III) O6 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 351-354 |
2106560 | CIF | Ba0.159 Bi0.841 O2.5 Ti | I 1 2/m 1 | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T. Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275) Acta Crystallographica B (39,1983-), 2005, 61, 145-153 |
2107011 | CIF | S13 Sb6 Sn4 | I 1 2/m 1 | 24.31; 3.915; 23.49 90; 94.05; 90 | 2230.05 | Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M. Sur le systeme Sn S - Sb2 S3: Etude structurale de Sn4 Sb6 S13 Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2940-2945 |
2107129 | CIF | C H4 Ca7 O23 Si6 | I 1 2/m 1 | 10.118; 15.187; 6.626 90; 100.4; 90 | 1001.44 | Pluth, J.J.; Smith, J.V. The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 73-80 |
2107130 | CIF | Al0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3 | I 1 2/m 1 | 10.026; 2.8782; 9.729 90; 91.03; 90 | 280.703 | Post, J.E.; Buseck, P.R.; von Dreele, R.B. Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1056-1065 |
2107227 | CIF | Ba1.14 Mg1.14 O16 Ti6.86 | I 1 2/m 1 | 10.1816; 2.9733; 10.0268 90; 90.489; 90 | 303.53 | Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-), 1989, 45, 205-212 |
2107229 | CIF | Ba1.33 Mg1.33 O16 Ti6.67 | I 1 2/m 1 | 10.2609; 2.98052; 9.9212 90; 91.072; 90 | 303.365 | Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-), 1989, 45, 205-212 |
2206238 | CIF Paper | C21 H14 N6 | I 1 2/m 1 | 11.46; 13.094; 13.563 90; 114.22; 90 | 1856 | Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide Acta Crystallographica Section E, 2005, 61, o2258-o2260 |
2206809 | CIF HKL Paper | Au2 I6 Rb2 | I 1 2/m 1 | 8.725; 7.932; 11.969 90; 99.53; 90 | 816.9 | Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~] Acta Crystallographica Section E, 2005, 61, i201-i203 |
2212533 | CIF HKL Paper | C10 H10 Cl4 N2 Pd | I 1 2/m 1 | 6.718; 11.754; 8.015 90; 90.649; 90 | 632.9 | Valdés-Martínez, Jesús; Toscano, Rubén A.; Germán-Acacio, Juan Manuel 4,4'-Bipyridinium tetrachloridopalladate(II) Acta Crystallographica Section E, 2007, 63, m870-m871 |
2240371 | CIF Paper | C8 H54 Mn2 N2 O43 V10 | I 1 2/m 1 | 13.2434; 9.6402; 17.7628 90; 98.626; 90 | 2242.1 | Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L. Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O Acta Crystallographica Section E, 2015, 71, 146-150 |
2310453 | CIF | Cl2 H4 Ni O2 | I 1 2/m 1 | 6.9093; 6.8858; 8.8298 90; 92.246; 90 | 419.764 | Morosin, B. An X-ray diffraction study on nickel(II) chloride dihydrate Acta Crystallographica (1,1948-23,1967), 1967, 23, 630-634 |
2310780 | CIF Paper | Bi0.097 Fe1.049 O2.585 Pb0.856 | I 1 2/m 1 | 3.93492; 3.93193; 4.00171 90; 92.603; 90 | 61.85 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310781 | CIF Paper | Bi0.195 Fe1.046 O2.633 Pb0.763 | I 1 2/m 1 | 3.92822; 3.92661; 4.05202 90; 92.209; 90 | 62.454 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310782 | CIF Paper | Bi0.292 Fe1.042 O2.675 Pb0.671 | I 1 2/m 1 | 3.92131; 3.91951; 4.09255 90; 91.913; 90 | 62.866 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310783 | CIF Paper | Bi0.428 Fe1.034 O2.736 Pb0.541 | I 1 2/m 1 | 3.9146; 3.91271; 4.13775 90; 91.554; 90 | 63.353 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310784 | CIF Paper | Bi0.545 Fe1.027 O2.783 Pb0.428 | I 1 2/m 1 | 3.90908; 3.90585; 4.16564 90; 91.318; 90 | 63.585 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310849 | CIF | Al0.11 Ca0.17 Fe2.14 H2 K0.13 Mg3.06 Na1.38 O24 Si7.94 | I 1 2/m 1 | 9.89; 17.95; 5.31 90; 72.5; 90 | 899.031 | Whittaker, E. J. W. The structure of bolivian crocidolite Acta Crystallographica, 1949, 2, 312-317 |
2312335 | CIF HKL Paper | Fe H6 K3 O12 Te2 | I 1 2/m 1 | 12.8036; 14.9042; 5.9782 90; 90.002; 90 | 1140.8 | Wolflehner, Tobias; Stöger, Berthold Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 510-518 |
2312336 | CIF HKL | Fe H4.86 K3 O11.43 Te2 | I 1 2/m 1 | 12.766; 14.947; 5.9706 90; 90.047; 90 | 1139.27 | Wolflehner, Tobias; Stöger, Berthold Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 510-518 |
3000534 | On hold until 2024-11-29 | Al8 Na7.62 O51.45 Si16 | I 1 2/m 1 | 18.2741; 13.7711; 11.9077 90; 102.754; 90 | 2922.69 | Georgia Cametti To be published |
3000535 | On hold until 2024-11-29 | Al16 Na16.07 O96 Si32 | I 1 2/m 1 | 18.2506; 13.8793; 11.8929 90; 102.995; 90 | 2935.39 | Georgia Cametti To be published |
3000536 | On hold until 2025-03-29 | Al8 Na7.93 O48 Si16 | I 1 2/m 1 | 18.2789; 13.8795; 11.9023 90; 102.89; 90 | 2943.54 | Georgia Cametti To be published |
3500059 | CIF HKL | O4 Pd S | I 1 2/m 1 | 4.9466; 4.9481; 6.1943 90; 92.8096; 90 | 151.43 | Yvon Laligant; Armel Le Bail Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19) Personal communication to COD, 2016 |
4001088 | CIF | C20 H24 F16 N4 O4 Ta4 | I 1 2/m 1 | 9.0476; 15.897; 10.823 90; 92.327; 90 | 1555.4 | Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters Chemistry of Materials, 2008, 20, 2205 |
4001089 | CIF | C20 H24 F16 N4 O4 Ta4 | I 1 2/m 1 | 9.257; 15.918; 10.923 90; 92.915; 90 | 1607.5 | Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters Chemistry of Materials, 2008, 20, 2205 |
4002270 | CIF | Cr Ni S4 V | I 1 2/m 1 | 5.848; 3.34142; 11.0596 90; 91.907; 90 | 215.992 | Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002271 | CIF | Cr0.8 Ni S4 V1.2 | I 1 2/m 1 | 5.8447; 3.3272; 11.0749 90; 91.971; 90 | 215.24 | Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002272 | CIF | Cr0.6 Ni S4 V1.4 | I 1 2/m 1 | 5.8391; 3.31464; 11.065 90; 92.123; 90 | 214.011 | Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002273 | CIF | Cr0.2 Ni S4 V1.8 | I 1 2/m 1 | 5.8376; 3.28741; 11.06386 90; 92.267; 90 | 212.156 | Vaqueiro, P.; Powell, A.V.; Bold, M.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002274 | CIF | Cr1.9 Ni S4 V0.1 | I 1 2/m 1 | 5.8411; 3.3969; 11.011 90; 91.642; 90 | 218.387 | Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002275 | CIF | Cr1.7 Ni S4 V0.3 | I 1 2/m 1 | 5.8422; 3.3836; 11.026 90; 91.654; 90 | 217.867 | Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002276 | CIF | Cr1.6 Ni S4 V0.4 | I 1 2/m 1 | 5.8285; 3.3701; 11.004 90; 91.689; 90 | 216.054 | Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002277 | CIF | Cr1.5 Ni S4 V0.5 | I 1 2/m 1 | 5.825; 3.365; 10.999 90; 91.803; 90 | 215.486 | Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002280 | CIF | Cr0.976 S2 V0.524 | I 1 2/m 1 | 5.9449; 3.3834; 11.2263 90; 91.573; 90 | 225.72 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
4002281 | CIF | Cr0.941 S2 V0.578 | I 1 2/m 1 | 5.9461; 3.3773; 11.2353 90; 91.68; 90 | 225.528 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
4002282 | CIF | Cr0.963 S2 V0.606 | I 1 2/m 1 | 5.9536; 3.3942; 11.331 90; 91.31; 90 | 228.914 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
4002283 | CIF | Cr0.981 S2 V0.627 | I 1 2/m 1 | 5.9574; 3.4009; 11.3825 90; 91.127; 90 | 230.571 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
4002284 | CIF | Cr0.968 S2 V0.671 | I 1 2/m 1 | 5.9562; 3.40467; 11.412 90; 90.995; 90 | 231.388 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
4002285 | CIF | Cr0.969 S2 V0.735 | I 1 2/m 1 | 5.9511; 3.4163; 11.4716 90; 90.62; 90 | 233.212 | Vaqueiro, P.; Powell, A.V. Structures and properties of new ordered defect phases in the vanadium chromium sulfide system Chemistry of Materials (1,1989-), 2000, 12, 2705-2714 |
4002288 | CIF | Cr1.4 Ni S4 V0.6 | I 1 2/m 1 | 5.8653; 3.3712; 11.061 90; 91.68; 90 | 218.616 | Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002289 | CIF | Cr1.2 Ni S4 V0.8 | I 1 2/m 1 | 5.8517; 3.35413; 11.0542 90; 91.834; 90 | 216.854 | Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V. Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide Chemistry of Materials (1,1989-), 2000, 12, 1034-1041 |
4002590 | CIF | Mn Na O2 | I 1 2/m 1 | 3.15603; 2.85523; 4.7799 90; 91.4521; 90 | 43.059 | Abakumov, Artem M.; Tsirlin, Alexander A.; Bakaimi, Ioanna; Van Tendeloo, Gustaaf; Lappas, Alexandros Multiple Twinning As a Structure Directing Mechanism in Layered Rock-Salt-Type Oxides: NaMnO2Polymorphism, Redox Potentials, and Magnetism Chemistry of Materials, 2014, 140509152558002 |
4030429 | CIF | C24 H72 Cu4 N4 Si8 | I 1 2/m 1 | 9.3805; 13.561; 17.799 90; 90.065; 90 | 2264.2 | Miele, P.; Foulon, J.D.; Hovnanian, N.; Durand, J.; Cot, L. Synthesis and crystal structure of a volatile molecular precursor of copper: [CuN(SiMe3)2]4 European Journal of Solid State and Inorganic Chemistry, 1992, 29, 573-583 |
4030511 | CIF | Ba2 Bi1.33 O6 Ru0.67 | I 1 2/m 1 | 6.0356; 6.048; 8.5556 90; 90.314; 90 | 312.3 | Darriet, J.; Bontchev, R.; Dussarrat, C.; Weill, F.; Darriet, B. The system BaRuO3-BaBiO3. I. Crystal structures of BaRu2BiO9 and Ba2RuxBi2-xO6 (0<x<=0.67) European Journal of Solid State and Inorganic Chemistry, 1993, 30, 273-286 |
4030844 | CIF | F12 Th Zr2 | I 1 2/m 1 | 9.895; 10.488; 7.856 90; 90.73; 90 | 815.2 | Taoudi, A.; Mikou, A.; Laval, J. P. Synthesis ans characterization of two new ordered crystallines phases close to ThF4-ZrF4 fluoride glasses. II: Crystal structure of ThZr2F12 European Journal of Solid State and Inorganic Chemistry, 1996, 33, 1051-1062 |
4037086 | CIF | C16 H17 Br O4 | I 1 2/m 1 | 9.1684; 7.1253; 22.658 90; 92.64; 90 | 1478.6 | Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen. The Journal of organic chemistry, 2016, 81, 7790-7798 |
4037919 | CIF | C8 H13 N O4 | I 1 2/m 1 | 5.6345; 6.4841; 25.9775 90; 95.661; 90 | 944.45 | Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G. Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products. The Journal of organic chemistry, 2020 |
4064287 | CIF | C43 H47 O10 Pd2 Te4 | I 1 2/m 1 | 7.8457; 15.1119; 19.1215 90; 91.798; 90 | 2265.99 | Chakraborty, Tapash; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J. Reactions of Di-o-tolyl Telluride and Selenide with Palladium Acetate: Isolation of a Novel Palladium Complex of a Tellurenic Acid Anhydride and Related Trinuclear and Tetranuclear Palladium Complexes Organometallics, 2011, 30, 2525 |
4065657 | CIF | C66 H92 Fe2 N2 | I 1 2/m 1 | 11.963; 20.35; 12.583 90; 99.002; 90 | 3025.6 | Ni, Chengbao; Lei, Hao; Power, Philip P. Reaction of M(II) Diaryls (M = Mn or Fe) with Ammonia to Afford Parent Amido Complexes Organometallics, 2010, 29, 1988 |
4073304 | CIF | C20 H46 B4 Hg N4 | I 1 2/m 1 | 16.0954; 15.2954; 11.3501 90; 101.249; 90 | 2740.6 | Ly, Hanh V.; Forster, Taryn D.; Parvez, Masood; McDonald, Robert; Roesler, Roland Zinc, Cadmium, and Mercury Metallocenes Incorporating 1,2-Diaza-3,5-diborolyl Ligands Organometallics, 2007, 26, 3516 |
4088849 | CIF | C47 H46 Ag B Cl8 F4 N2 | I 1 2/m 1 | 11.982; 23.133; 17.482 90; 94.631; 90 | 4830 | Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs Synthesis and Properties of "Sandwich" Diimine-Coinage Metal Ethylene Complexes. Organometallics, 2016, 35, 2938-2943 |
4115385 | CIF | C84 H210 Cu26 P14 Se13 | I 1 2/m 1 | 17.2391; 23.4906; 17.303 90; 90.305; 90 | 7006.9 | Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides Journal of the American Chemical Society, 2002, 124, 14842-14843 |
4115569 | CIF | O64 Si32 | I 1 2/m 1 | 18.6794; 13.5313; 7.6028 90; 102.196; 90 | 1878.3 | Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society, 2001, 123, 5453-5459 |
4115570 | CIF | O64 Si32 | I 1 2/m 1 | 18.6504; 13.4868; 7.6257 90; 101.99; 90 | 1876.3 | Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society, 2001, 123, 5453-5459 |
4115571 | CIF | O64 Si32 | I 1 2/m 1 | 18.6277; 13.4777; 7.6305 90; 101.927; 90 | 1874.3 | Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society, 2001, 123, 5453-5459 |
4116100 | CIF | C76 H110 Al14 Cl Si | I 1 2/m 1 | 13.43; 18.333; 17.118 90; 94.86; 90 | 4199.5 | Andreas Purath; Carsten Dohmeier; Achim Ecker; Ralf Köppe; Harald Krautscheid; Hansgeorg Schnöckel; Reinhart Ahlrichs; Carsten Stoermer; Jochen Friedrich; Peter Jutzi Synthesis and Structure of a Neutral SiAl14 Cluster Journal of the American Chemical Society, 2000, 122, 6955-6959 |
4117376 | CIF | C5 F N2 O24 Si12 | I 1 2/m 1 | 10.42128; 14.8998; 17.5897 90; 105.807; 90 | 2627.96 | Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations Journal of the American Chemical Society, 2012, 134, 2255-2263 |
4117377 | CIF | C6 F N2 O24 Si12 | I 1 2/m 1 | 10.43748; 14.80768; 17.50255 90; 106.09; 90 | 2599.15 | Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations Journal of the American Chemical Society, 2012, 134, 2255-2263 |
4117378 | CIF | O2 Si | I 1 2/m 1 | 10.32658; 14.9994; 17.71021 90; 105.396; 90 | 2644.74 | Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations Journal of the American Chemical Society, 2012, 134, 2255-2263 |
4123551 | CIF | C18 H48 N18 O18 S6 | I 1 2/m 1 | 10.013; 21.303; 10.071 90; 103.21; 90 | 2091.4 | Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D. Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement. Journal of the American Chemical Society, 2015, 137, 3386-3392 |
4125252 | CIF | C72 H112 F2 Mg2 N4 O2 | I 1 2/m 1 | 11.9516; 18.2934; 15.7645 90; 99.934; 90 | 3395 | Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R. Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution. Journal of the American Chemical Society, 2016, 138, 12763-12766 |
4126753 | CIF | C0.5 H6 Mn0.5 N1.5 O3 P1.5 | I 1 2/m 1 | 8.7596; 13.2087; 9.6956 90; 89.764; 90 | 1121.8 | Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017 |
4130430 | CIF | C76 H61 Cl4 F6 Fe2 N11 O22 | I 1 2/m 1 | 11.655; 26.4005; 28.4632 90; 91.2677; 90 | 8755.9 | Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P. Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations. Journal of the American Chemical Society, 2016, 138, 12791-12802 |
4132050 | CIF | C2 H10 I2 N2 | I 1 2/m 1 | 15.54; 5.0795; 5.0964 90; 96.032; 90 | 400.06 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4133018 | CIF | C6 Ag5 S6 | I 1 2/m 1 | 15.1318; 9.1148; 4.2826 90; 110.435; 90 | 553.5 | Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang; Xu, Wei; Zhu, Daoben Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver-Sulfur Networks. Journal of the American Chemical Society, 2018, 140, 15153-15156 |
4133410 | CIF | C352 H180 Co12 P12 Te16 | I 1 2/m 1 | 25.7743; 16.3541; 28.9052 90; 92.161; 90 | 12175.3 | O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal. Journal of the American Chemical Society, 2018, 140, 15601-15605 |
4133695 | CIF | C72 H66 F9 In N6 Na0.5 O6 P1.5 | I 1 2/m 1 | 13.7314; 32.7897; 16.3067 90; 96.0838; 90 | 7300.7 | Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A. Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions. Journal of the American Chemical Society, 2019, 141, 15792-15803 |
4300035 | CIF | C20 H22 F6 N6 O6 Pd2 S2 | I 1 2/m 1 | 9.368; 16.191; 20.228 90; 101.26; 90 | 3009.1 | Felipe Gómez-de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; José Elguero; Martín Martínez-Ripoll Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior Involving Pd-N Bond Rupture. X-ray Molecular Structures of [{Pd(C~6~HF~4~)~2~}(bpzm)] and [{PdΜ^3^-(C~4~H~7~)}~2~(bpzm)]CF~3~SO~3~)~2~ [bpzpm = 4,6-Bis(pyrazol-1-yl)pyrimidine] Inorganic Chemistry, 2000, 39, 1152-1162 |
4300877 | CIF | C24 H20 N2 O Ru0.5 S | I 1 2/m 1 | 14.629; 9.356; 14.465 90; 91.12; 90 | 1979.4 | Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins Inorganic Chemistry, 2005, 44, 2039-2049 |
4301885 | CIF | C38.5 H36 Co4 N14 O14.5 | I 1 2/m 1 | 11.329; 13.9776; 15.11 90; 100.278; 90 | 2354.31 | Anastasia N. Georgopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Rafael Ballesteros; Belén Abarca; Athanassios K. Boudalis Ferromagnetic CuII4, CoII4, and NiII6 Azido Complexes Derived from Metal-Assisted Methanolysis of Di-2,6-(2-pyridylcarbonyl)pyridine Inorganic Chemistry, 2009, 48, 3167-3176 |
4304401 | CIF | C10 H8 Cl N2 O3 Tc | I 1 2/m 1 | 7.52742; 11.73765; 12.86694 90; 96.2859; 90 | 1130.01 | Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities Inorganic Chemistry, 2008, 47, 257-264 |
4304402 | CIF | C12 H8 Cl N2 O3 Tc | I 1 2/m 1 | 7.5144; 11.616; 13.9303 90; 97.2381; 90 | 1206.25 | Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities Inorganic Chemistry, 2008, 47, 257-264 |
4307641 | CIF | C64 H60 Cl10 N12 O2 Zn4 | I 1 2/m 1 | 11.7529; 27.09; 12.0596 90; 106.345; 90 | 3684.4 | Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks Inorganic Chemistry, 2007, 46, 2224-2236 |
4307643 | CIF | C66 H63 Cl10 Cu4 N13 O2 Zn2 | I 1 2/m 1 | 11.869; 27.292; 12.241 90; 105.34; 90 | 3823.9 | Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks Inorganic Chemistry, 2007, 46, 2224-2236 |
4307644 | CIF | C64 H60 Cl4 Cu4 N12 O2 | I 1 2/m 1 | 11.869; 27.292; 12.241 90; 105.34; 90 | 3823.9 | Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks Inorganic Chemistry, 2007, 46, 2224-2236 |
4310992 | CIF | C24 H83 N6 O32.5 V5 | I 1 2/m 1 | 13.72; 14.309; 14.43 90; 108.4; 90 | 2688.1 | Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands Inorganic Chemistry, 2004, 43, 3116-3126 |
4311789 | CIF | C10 H40 Cl6 Co2 Hg5 N22 O2 | I 1 2/m 1 | 8.5648; 12.8938; 19.012 90; 97.088; 90 | 2083.5 | Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries Inorganic Chemistry, 2004, 43, 6557-6567 |
4315190 | CIF | Cd Cl1.75 O3.125 Sb2 | I 1 2/m 1 | 14.251; 3.9895; 21.145 90; 97.35; 90 | 1192.3 | Vinna Jo; Min Kyung Kim; Dong Woo Lee; Il-Wun Shim; Kang Min Ok Lone Pairs as Chemical Scissors in New Antimony Oxychlorides, Sb2ZnO3Cl2 and Sb16Cd8O25Cl14 Inorganic Chemistry, 2010, 49, 2990-2995 |
4316523 | CIF | C66 H88 Ge2 P2 | I 1 2/m 1 | 12.0005; 19.9995; 12.7349 90; 98.979; 90 | 3019 | W. Alexander Merrill; Eric Rivard; Jeffrey S. DeRopp; Xinping Wang; Bobby D. Ellis; James C. Fettinger; Bernd Wrackmeyer; Philip P. Power Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb) Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) Inorganic Chemistry, 2010, 49, 8481-8486 |
4316525 | CIF | C66 H88 P2 Pb2 | I 1 2/m 1 | 11.842; 20.591; 12.734 90; 98.436; 90 | 3071.4 | W. Alexander Merrill; Eric Rivard; Jeffrey S. DeRopp; Xinping Wang; Bobby D. Ellis; James C. Fettinger; Bernd Wrackmeyer; Philip P. Power Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb) Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) Inorganic Chemistry, 2010, 49, 8481-8486 |
4316888 | CIF | Cl2 H26 Mg10 O22 | I 1 2/m 1 | 22.28316; 3.13501; 8.13157 90; 97.7533; 90 | 562.862 | Robert E. Dinnebier; Daniela Freyer; Sebastian Bette; Melanie Oestreich 9Mg(OH)2.MgCl2.4H2O, a High Temperature Phase of the Magnesia Binder System Inorganic Chemistry, 2010, 49, 9770-9776 |
4317971 | CIF | C6 H18 Au Cl N4 O | I 1 2/m 1 | 9.25; 11.3768; 11.3137 90; 99.228; 90 | 1175.19 | Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Alan L. Balch New Insights into the Effects of Self-Association of the Cation [Au{C(NHMe)2}2]+ on Its Solid State Structure and Luminescence Inorganic Chemistry, 2002, 41, 2313-2315 |
4317972 | CIF | C6 H18 Au Br N4 O | I 1 2/m 1 | 9.3997; 11.4229; 11.5291 90; 101.013; 90 | 1215.1 | Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Alan L. Balch New Insights into the Effects of Self-Association of the Cation [Au{C(NHMe)2}2]+ on Its Solid State Structure and Luminescence Inorganic Chemistry, 2002, 41, 2313-2315 |
4321367 | CIF | C18 H130 B6 N14 O97 P12 Sr2 V12 | I 1 2/m 1 | 15.7618; 16.4821; 21.1124 90; 107.473; 90 | 5231.7 | Junghwan Do; Ranko P. Bontchev; Allan J. Jacobson Influence of Hydrogen Bonding on the Assembly of Six-Membered Vanadium Borophosphate Cluster Anions: Synthesis and Structures of (NH~4~)~2~(C~2~H~10~N~2~)~6~[Sr(H~2~O)~5~]~2~[V~2~P~2~BO~12~ ]~6~10H~2~O, (NH~4~)~2~(C~3~H~12~N~2~)~6~[Sr(H~2~O)~4~]~2~ [V~2~P~2~BO~12~]~6~17H~2~O, (NH~4~)~3~(C~2~H~10~N~2~)~4.5~ [Sr(H~2~O)~5~]~2~[Sr(H~2~O)~4~][V~2~P~2~BO~12~]~6~10H~2~O Inorganic Chemistry, 2000, 39, 4305-4310 |
4321906 | CIF | C52 H51 Cl4 Fe2 N13 O17 | I 1 2/m 1 | 11.73; 18.64; 13.331 90; 93.74; 90 | 2908.6 | Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate Inorganic Chemistry, 1999, 38, 1929-1936 |
4328470 | CIF | C82 H90 N8 O Ti | I 1 2/m 1 | 13.2868; 18.8506; 14.4279 90; 111.031; 90 | 3373 | Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer Axial Functionalization of Sterically Hindered Titanium Phthalocyanines Inorganic Chemistry, 2012, 51, 2709-2717 |
4330136 | CIF | Co3 Fe3 H12 O24 Pr2 Sr6 | I 1 2/m 1 | 3.8442; 3.8492; 35.811 90; 88.809; 90 | 529.78 | Laurent Jantsky; Hiroshi Okamoto; Antoine Demont; Helmer Fjellvåg Tuning of Water and Hydroxide Content of Intercalated Ruddlesden-Popper-type Oxides in the PrSr3Co1.5Fe1.5O10-δSystem Inorganic Chemistry, 2012, 51, 9181-9191 |
4333046 | CIF | C18 H57 La2 N4 O30 P5 S | I 1 2/m 1 | 14.4085; 18.9382; 17.0522 90; 101.696; 90 | 4556.44 | Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters Inorganic Chemistry, 2006, 45, 9780-9788 |
4333047 | CIF | C18 H57 N4 Nd2 O30 P5 S | I 1 2/m 1 | 14.303; 18.7159; 17.0511 90; 102.118; 90 | 4462.8 | Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters Inorganic Chemistry, 2006, 45, 9780-9788 |
4337674 | CIF | C18 H10 Cu2 F4 N6 | I 1 2/m 1 | 10.0785; 7.5317; 12.8559 90; 110.743; 90 | 912.61 | Le, Thanh H.; Nafady, Ayman; Vo, Nguyen T.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Abrahams, Brendan F.; Martin, Lisandra L.; Bond, Alan M. Electrochemically Directed Synthesis of Cu2(I)(TCNQF4(II-))(MeCN)2 (TCNQF4 = 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane): Voltammetry, Simulations, Bulk Electrolysis, Spectroscopy, Photoactivity, and X-ray Crystal Structure of the Cu2(I)(TCNQF4(II-))(EtCN)2 Analogue. Inorganic chemistry, 2014, 53, 3230-3242 |
4341616 | CIF | Ba Te4 Th | I 1 2/m 1 | 10.46; 6.38; 12.58 90; 91.54; 90 | 839.2 | Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6. Inorganic chemistry, 2014, 141111074323002 |
4341617 | CIF | Ba Te4 U | I 1 2/m 1 | 10.363; 6.3037; 12.458 90; 91.26; 90 | 813.6 | Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6. Inorganic chemistry, 2014, 141111074323002 |
4343509 | CIF | Nb2 O7 Ti | I 1 2/m 1 | 17.6719; 3.8006; 11.8924 90; 95.295; 90 | 795.33 | Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7. Inorganic chemistry, 2015, 54, 6836-6848 |
4343510 | CIF | O7 Ta2 Ti | I 1 2/m 1 | 17.6624; 3.8012; 11.829 90; 95.135; 90 | 790.99 | Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7. Inorganic chemistry, 2015, 54, 6836-6848 |
4343693 | CIF | Cl4 Nb | I 1 2/m 1 | 8.14; 6.823; 8.852 90; 91.92; 90 | 491.357 | Taylor, D.R.; Calabrese, J.C.; Larsen, E.M. Crystal structure of niobium tetrachloride Inorganic Chemistry, 1977, 16, 721-722 |
4343752 | CIF | C15 H O15 Os3 Re | I 1 2/m 1 | 10.557; 10.481; 10.144 90; 102.14; 90 | 1097.31 | Churchill, M.R.; Hollander, F.J. Structural studies on polynuclear osmium carbonyl hydrides. 4. Crystal structure and molecular geometry of H Os3 Re (C O)15 , a rhomboidal metal cluster species Inorganic Chemistry, 1977, 16, 2493-2497 |
4344308 | CIF | Cl36 Zr12 | I 1 2/m 1 | 22.216; 13.323; 6.6236 90; 90.15; 90 | 1960.47 | Kleppinger, J.; Wrazel, J.; Calabrese, J.C.; Larsen, E.M. Preparation and Structure of a Reduced-State Zirconium Cluster Containing Triangular (Zr3 Cl6) Units Inorganic Chemistry, 1980, 19, 3172-3175 |
4345475 | CIF | C12 H14 Cu N2 O10 S | I 1 2/m 1 | 11.728; 6.853; 20.166 90; 92.328; 90 | 1619.4 | Maity, Dilip Kumar; Otake, Kenichi; Ghosh, Saheli; Kitagawa, Hiroshi; Ghoshal, Debajyoti Sulfonic Group Functionalized Mixed Ligand Coordination Polymers: Synthesis, Characterization, Water Sorption, and Proton Conduction Studies. Inorganic chemistry, 2017, 56, 1581-1590 |
4345882 | CIF | C64 H52 Mn6 N16 O22 | I 1 2/m 1 | 12.333; 30.364; 26.7615 90; 101.072; 90 | 9835.1 | Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J. Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues. Inorganic chemistry, 2017, 56, 5657-5668 |
4346017 | CIF | C43 H51 N4 O24 Zn2 | I 1 2/m 1 | 11.3404; 29.1741; 14.8727 90; 92.023; 90 | 4917.51 | Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response. Inorganic chemistry, 2015, 54, 3456-3461 |
4349519 | CIF | C39 H25 Cu3 N6 O13 | I 1 2/m 1 | 13.657; 18.686; 31.503 90; 101.532; 90 | 7877 | Kourtellaris, Andreas; Moushi, Eleni E.; Spanopoulos, Ioannis; Tampaxis, Christos; Charalambopoulou, Georgia; Steriotis, Theodore A.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J. A microporous Cu2+MOF based on a pyridyl isophthalic acid Schiff base ligand with high CO2uptake Inorganic Chemistry Frontiers, 2016, 3, 1527 |
4349747 | CIF | C24 H132 Cu6 N24 Nb12 O60 Si V2 | I 1 2/m 1 | 14.8976; 20.6011; 16.2057 90; 96.757; 90 | 4939.1 | Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation Inorganic Chemistry Frontiers, 2017, 4, 1397 |
4502557 | CIF | C10 H12 Ag F4 N2 Nb O3 | I 1 2/m 1 | 3.8103; 16.7026; 22.2523 90; 90.021; 90 | 1416.18 | Lin, Haisheng; Maggard, Paul A. Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids Crystal Growth & Design, 2010, 10, 1323 |
4504594 | CIF | C10 H10 Cl4 N2 Pt | I 1 2/m 1 | 6.6548; 11.695; 8.146 90; 91.32; 90 | 633.8 | Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks Crystal Growth & Design, 2006, 6, 411 |
4505763 | CIF | C44 H46 N4 | I 1 2/m 1 | 8.6155; 15.7605; 13.1152 90; 104.238; 90 | 1726.14 | Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M. Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins Crystal Growth & Design, 2002, 2, 27 |
4508922 | CIF | C22 H18 Br2 N2 O8 | I 1 2/m 1 | 3.8623; 9.206; 30.164 90; 92.688; 90 | 1071.3 | Eppel, Sagi; Bernstein, Joel Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond Crystal Growth & Design, 2009, 9, 1683 |
4513163 | CIF | C30 H32 Br2 Cu2 N6 O2 S2 | I 1 2/m 1 | 16.446; 7.763; 13.69 90; 94.214; 90 | 1743.1 | Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L. New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers Crystal Growth & Design, 2015, 15, 2437 |
4514514 | CIF | C44 H26 O8 | I 1 2/m 1 | 3.7703; 27.5034; 29.3675 90; 92.841; 90 | 3041.6 | Yin, Qi; Li, Yu-Lin; Li, Lan; Lü, Jian; Liu, Tian-Fu; Cao, Rong Novel Hierarchical Meso-Microporous Hydrogen-Bonded Organic Framework for Selective Separation of Acetylene and Ethylene versus Methane. ACS applied materials & interfaces, 2019, 11, 17823-17827 |
4514920 | CIF | Cl5 H24 N9 O2 Ru2 | I 1 2/m 1 | 8.5277; 7.6795; 13.5715 90; 91.593; 90 | 888.433 | Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury. ACS central science, 2019, 5, 153-166 |
7002168 | CIF | C52 H52 Cl3 Mn3 N8 O18 | I 1 2/m 1 | 11.897; 22.067; 13.312 90; 93.82; 90 | 3487 | Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K. High pressure effects on a trimetallic MnII/III SMM Dalton Transactions, 2009, 7390-7395 |
7002169 | CIF | C52 H52 Cl3 Mn3 N8 O18 | I 1 2/m 1 | 11.549; 21.72; 12.991 90; 94.04; 90 | 3250.6 | Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K. High pressure effects on a trimetallic MnII/III SMM Dalton Transactions, 2009, 7390-7395 |
7002170 | CIF | C52 H52 Cl3 Mn3 N8 O18 | I 1 2/m 1 | 11.331; 21.547; 12.817 90; 93.67; 90 | 3122.8 | Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin V.; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Murrie, Mark; Parsons, Simon; Brechin, Euan K. High pressure effects on a trimetallic MnII/III SMM Dalton Transactions, 2009, 7390-7395 |
7004311 | CIF | C7 H6 Br N2 O3 Re | I 1 2/m 1 | 5.9303; 7.8984; 11.8361 90; 102.334; 90 | 541.61 | Kromer, Lukas; Spingler, Bernhard; Alberto, Roger Substitution reactions with [ReBr2(CO)2(NCCH3)2]−: a convenient route to complexes with the cis-[Re(CO)2]+ core Dalton Transactions, 2008, 5800-5806 |
7005956 | CIF | C44 H80 Mo2 N12 | I 1 2/m 1 | 10.206; 15.864; 15.607 90; 105.716; 90 | 2432.4 | Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C. Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands. Dalton transactions (Cambridge, England : 2003), 2007, 3943-3951 |
7009999 | CIF | C10 H10 Cl4 N2 Pt | I 1 2/m 1 | 6.6548; 11.695; 8.146 90; 91.32; 90 | 633.8 | Gillon, Amy L.; Lewis, Gareth R.; Orpen, A. Guy; Rotter, Sarah; Starbuck, Jonathan; Wang, Xi-Meng; Rodríguez-Martín, Yolanda; Ruiz-Pérez, Catalina Organic‒inorganic hybrid solids: control of perhalometallate solid state structures † Journal of the Chemical Society, Dalton Transactions, 2000, 3897 |
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