Crystallography Open Database
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Searching space group like 'C 1 m 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000145 | CIF | H2 Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.9 | Le Bail, A On the structure of Na5 V2 P3 O14 . (H2 O) Journal of Solid State Chemistry, 1993, 102, 281-282 |
1000472 | CIF | H2 Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.9 | Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Leblanc, M; Raveau, B Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV) Journal of Solid State Chemistry, 1992, 96, 390-396 |
1001332 | CIF | F12 H2 Np3 O | C 1 m 1 | 12.023; 11.723; 8.435 90; 128.77; 90 | 926.9 | Cousson, A; Gasperin, M Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O Acta Crystallographica C (39,1983-), 1985, 41, 804-805 |
1001668 | CIF | C76.039 S48 | C 1 m 1 | 10.41; 20.5; 19.48 90; 98.8; 90 | 4108.2 | Michel, R H; Kappes, M M; Adelmann, P; Roth, G Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes Angewandte Chemie (German Edition), 1994, 106, 1742-1746 |
1001719 | CIF | Co O3.111 Sr0.9999 Tl0.41 | C 1 m 1 | 4.95; 25.18999; 11.66 90; 97.76; 90 | 1440.6 | Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 Chemistry of Materials (1,1989-, 1996, 8, 1482-1489 |
1008044 | CIF | Er3 F10 K | C 1 m 1 | 14.08; 8.137; 28.28 90; 109.45; 90 | 3055.1 | Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine Annales de Chimie (Paris) (Vol=Year), 1978, 1978, 417-427 |
1008837 | CIF | F7 Ho2 K | C 1 m 1 | 14.287; 8.004; 11.95 90; 125.33; 90 | 1114.9 | le Fur, Y.; Aléonard, S.; Gorius, M. F.; Roux, M. T. Structure des phases de type α-KEr~2~F~7~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1982, 38, 1431-1436 |
1010268 | CIF | K N O2 | C 1 m 1 | 4.45; 4.99; 7.31 90; 114.83; 90 | 147.3 | Ziegler, G E The Crystal Structure of Potassium Nitrite, K N O~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 94, 491-499 |
1011246 | CIF | Al2 H8 O11 Si2 | C 1 m 1 | 5.2; 8.92; 10.25 90; 100; 90 | 468.2 | Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 35-43 |
1011247 | CIF | Al2 H4 O9 Si2 | C 1 m 1 | 5.15; 8.9; 7.57 90; 100; 90 | 341.7 | Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 35-43 |
1501501 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.6968; 5.682; 4.0132 90; 90.125; 90 | 129.904 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
1501502 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.7025; 5.6778; 4.0087 90; 90.24; 90 | 129.791 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
1501503 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.7022; 5.6815; 4.0167 90; 90.248; 90 | 130.128 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
1501504 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.6987; 5.687; 4.0211 90; 90.135; 90 | 130.32 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
1501505 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.6969; 5.6889; 4.0215 90; 90.109; 90 | 130.333 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
1501506 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.6952; 5.6903; 4.022 90; 90.083; 90 | 130.34 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
1501512 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.6951; 5.6813; 4.0138 90; 90.136; 90 | 129.868 | Singh, Akhilesh Kumar; Pandey, Dhananjai Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study Physical Review B, 2003, 67, 1-12 |
1510885 | CIF | B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 | C 1 m 1 | 8.063; 15.995; 3.5231 90; 101.15; 90 | 445.79 | Chizhikov, V.I.; Yu, Y.M.; Kuz'micheva, G.M.; Ageev, A.Yu.; Panyutin, V.L.; Rybakov, V.B. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
1510886 | CIF | B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 | C 1 m 1 | 8.065; 15.998; 3.5243 90; 101.17; 90 | 446.105 | Chizhikov, V.I.; Panyutin, V.L.; Kuz'micheva, G.M.; Ageev, A.Yu.; Rybakov, V.B.; Yu, Y.M. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
1510887 | CIF | B3 Ca4 La O10 | C 1 m 1 | 8.183; 16.11; 3.623 90; 101.36; 90 | 468.256 | Belokoneva, E.L.; Mill', B.V.; Ershova, G.I. Crystallization and crystal structure of La Ca4 O (B O3)3 Zhurnal Neorganicheskoi Khimii, 2003, 48, 5-7 |
1510888 | CIF | B3 Ca4 Lu O10 | C 1 m 1 | 8.055; 15.986; 3.511 90; 101.12; 90 | 443.614 | Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2 Zhurnal Neorganicheskoi Khimii, 1993, 38, 917-920 |
1510889 | CIF | B3 Ca4 O10 Tb | C 1 m 1 | 8.089; 16.034; 3.5511 90; 101.24; 90 | 451.74 | Dzhurinskii, B.F.; Ilyukhin, A.B. Crystal structures of double oxoborates Ln Ca4 O (B O3)3 (Ln= Gd, Tb, Lu) and Eu2 Ca O (B O3)2 Zhurnal Neorganicheskoi Khimii, 1993, 38, 917-920 |
1510890 | CIF | B3 Ca4 O10 Y0.85 Yb0.15 | C 1 m 1 | 8.062; 15.996; 3.524 90; 101.16; 90 | 445.861 | Chizhikov, V.I.; Kuz'micheva, G.M.; Yu, Y.M.; Panyutin, V.L.; Rybakov, V.B.; Ageev, A.Yu. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
1510891 | CIF | B3 Ca4.084 O9.96 Y0.916 | C 1 m 1 | 8.069; 16.005; 3.5275 90; 101.17; 90 | 446.927 | Yu, Y.M.; Ageev, A.Yu.; Kuz'micheva, G.M.; Panyutin, V.L.; Chizhikov, V.I.; Rybakov, V.B. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
1511069 | CIF | B Co3 O7 P | C 1 m 1 | 9.774; 12.688; 4.9057 90; 119.749; 90 | 528.19 | Kniep, R.; Kizilyalli, M.; Stucky, G.D.; Yilmaz, A.; Bu Xianhui Cobalt borate phosphate, Co3 (B P O7), synthesis and characterization Journal of Solid State Chemistry, 2001, 156, 281-285 |
1511425 | CIF | B18 K8 Se18 | C 1 m 1 | 16.2878; 41.617; 9.7876 90; 109.592; 90 | 6250.41 | Hammerschmidt, A.; Krebs, B.; Doech, M.; Lindemann, A. K8 (B12 (B Se3)6): a novel selenoborato-closo- dodecaborate with different anion substitution patterns Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 1249-1255 |
1511697 | CIF | B8 O38 Y16.86 | C 1 m 1 | 18.1662; 3.6516; 13.9775 90; 119.75; 90 | 805 | You, L.-P.; Su, M.-Z.; Zhou, S.; Yang, L.-Q.; Lin, J.-H.; Yao, G.-Q. Structure and luminescent properties of Y17.33 (B O3)4 (B2 O5)2 O16 Journal of Solid State Chemistry, 1997, 134, 158-163 |
1518091 | CIF | Bi7 Cs3 Se12 | C 1 m 1 | 27.733; 4.177; 13.286 90; 107.9; 90 | 1465 | Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph 0n Cs3Bi7Se12, a new layer selenidobismutate (III) Revue de Chimie Minerale, 1985, 22, 676-683 |
1518112 | CIF | F11 O Tl U3 | C 1 m 1 | 14.051; 8.106; 8.389 90; 90; 90 | 955.5 | Hsini, Sifeddine; Caignol, Elisabeth; Metin, Jacques; Avignant, Daniel; Cousseins, Jean-Claude Structure cristalline de l'oxyfluorure TlU3OF11 Revue de Chimie Minerale, 1986, 23, 35-47 |
1521045 | CIF | O3 Pb Ti0.46 Zr0.54 | C 1 m 1 | 5.76907; 5.74266; 4.089 90; 90.497; 90 | 135.463 | Frantti, J.; Rundlof, H.; Lappalainen, J.; Ivanov, S.; Eriksson, S.; Lantto, V.; Nishio, S.; Kakihana, M. Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics Japanese Journal of Applied Physics, Part 1, 2000, 39, 5697-5703 |
1521480 | CIF | Fe0.5 Nb0.5 O3 Pb | C 1 m 1 | 5.674; 5.663; 4.013 90; 89.84; 90 | 128.945 | Lampis, N.; Geddo Lehmann, A.; Sciau, P. Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3 Journal of Physics: Condensed Matter, 1999, 11, 3489-3500 |
1521482 | CIF | Fe0.5 O3 Pb Ta0.5 | C 1 m 1 | 5.6687; 5.661; 4.0083 90; 89.853; 90 | 128.628 | Lampis, N.; Sciau, P.; Geddo Lehmann, A. Rietveld refinement of the paraelectric and ferroelectric structures of Pb Fe0.5 Ta0.5 O3 Journal of Physics: Condensed Matter, 2000, 12, 2367-2378 |
1522870 | CIF | Al3 Mo | C 1 m 1 | 16.396; 3.594; 8.386 90; 101.88; 90 | 483.579 | Schuster, J.C.; Ipser, H. The Al - Al8 Mo3 section of the binary system aluminum- molybdenum Metallurgical Transactions A: Physical Metallurgy and Materials Science, 1991, 22, 1729-1738 |
1524390 | CIF | Cu0.85 O5 V2 | C 1 m 1 | 11.78; 3.691; 8.876 90; 111.8; 90 | 358.329 | Galy, J.; Lavaud, D.; Casalot, A.; Hagenmuller, P. Bronzes oxygenes de vanadium de formule Cux V2 O5: Structure cristalline des phases Cux V2 O5 -beta et Cux V2 O5 - epsilon Journal of Solid State Chemistry, 1970, 2, 531-543 |
1524991 | CIF | H4 Mg2 Ni | C 1 m 1 | 6.497; 6.414; 6.601 90; 93.23; 90 | 274.638 | Noreus, D.; Werner, P.E. The crystal structure of the low temperature phase Mg2 Ni H4 (LT) Materials Research Bulletin, 1981, 16, 199-206 |
1525908 | CIF | O3 Pb Ti0.48 Zr0.52 | C 1 m 1 | 5.7154; 5.704; 4.1378 90; 90.493; 90 | 134.89 | Dmowski, W.; Egami, T.; Davies, P.K.; Farber, L. Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary AIP Conference Proceedings, 2001, 582, 33-44 |
1526149 | CIF | O3 Pb Ti0.48 Zr0.52 | C 1 m 1 | 5.72204; 5.70957; 4.13651 90; 90.498; 90 | 135.136 | Noheda, B.; Gonzalo, J.A.; Cross, L.E.; Shirane, G.; Park, S.-E.; Guo, R.; Cox, D.E. Tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: the structure of Pb Zr0.52 Ti0.48 O3 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2000, 61, 8687-8695 |
1526328 | CIF | Ba0.2 Ca1.2 H25.94 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 | C 1 m 1 | 14.365; 13.887; 7.814 90; 117.36; 90 | 1384.42 | Rastsvetaeva, R.K.; Pekov, I.V.; Nekrasov, Yu.V. Crystal structure and microtwinning of a calcium-rich analog of labuntsovite Kristallografiya, 2001, 46, 415-417 |
1526403 | CIF | Cu2.324 O11 V4 | C 1 m 1 | 15.309; 3.61; 7.335 90; 101.84; 90 | 396.748 | Rozier, P.; Satto, C.; Galy, J. The vanadium oxide bronze Cu2.33-x V4 O11. Solid state chemistry, XRD Solid State Sciences, 2000, 2, 595-605 |
1526666 | CIF | C4 H16 N9 O16 Y | C 1 m 1 | 6.773; 20.866; 6.551 90; 102.98; 90 | 902.167 | Song, J.; Kang, B.; Ning, B.; Hu, R. Preparation, crystal structure and thermal decomposition process of (Y (NTO)2 NO3 (H2 O)5) * 2(H2 O) Thermochimica Acta, 2000, 352, 111-115 |
1526858 | CIF | Al O4 P | C 1 m 1 | 18.46799; 31.97029; 16.67589 90; 90; 90 | 9845.9 | de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C. Characterization and structural analysis of differently prepared samples of dehydrated VPI-5 Microporous and Mesoporous Materials, 2000, 34, 99-113 |
1526859 | CIF | Al O4 P | C 1 m 1 | 18.52179; 32.12469; 8.40026 90; 90; 90 | 4998.21 | de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C. Characterization and structural analysis of differently prepared samples of dehydrated VPI-5 Microporous and Mesoporous Materials, 2000, 34, 99-113 |
1528301 | CIF | Er3 F10 K | C 1 m 1 | 14.088; 8.1378; 28.28 90; 109.27; 90 | 3060.52 | Aleonard, S.; Guitel, J.C.; Roux, M.T. Structure cristalline de la phase beta-K Er3 F10 Journal of Solid State Chemistry, 1978, 24, 331-344 |
1529027 | CIF | C1.35 D2.7 O12 Si6 | C 1 m 1 | 10.43638; 15.01832; 8.85531 90; 105.739; 90 | 1335.92 | Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H. Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study J. Phys. Chem. B, 2005, 109, 7894-7899 |
1529433 | CIF HKL | F3 K3 O3 W | C 1 m 1 | 8.7355; 8.6901; 6.1569 90; 135.167; 90 | 329.53 | M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov Structure transformations during phase transitions in the K3WO3F3 oxyfluoride Physics of the Solid State, 2011, 53, 834-839 |
1529566 | CIF | Cs H4 Li O5 S | C 1 m 1 | 11.927; 5.67; 4.828 90; 109.26; 90 | 308.225 | Archer, C.; Durand, J.; Cot, L.; Galigne, J.L. Sur quelques sulfites de cations monovalents; etude structurale de Li Cs O3 (H2 O)2 Canadian Journal of Chemistry, 1979, 57, 899-903 |
1529767 | CIF | Ca5 H4 K2 Na4 O34 Si12 | C 1 m 1 | 18.74; 7.19; 12.33 90; 112; 90 | 1540.38 | Chiragov, M.I.; Belov, N.V.; Mamedov, H.S. Crystal structure of canasite Ca5 Na4 K2 (Si12 O30) ((O H), F)4 Doklady Akademii Nauk SSSR, 1969, 185, 672-674 |
1530020 | CIF | Bi Li5 O5 | C 1 m 1 | 9.964; 4.148; 5.9409 90; 109.49; 90 | 231.472 | Greaves, C.; Katib, S.M.A. The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction Materials Research Bulletin, 1989, 24, 973-980 |
1530422 | CIF | B12 H34 O13 U | C 1 m 1 | 14.513; 9.641; 9.705 90; 117.76; 90 | 1201.63 | Mikhailov, Yu.N.; Kanishcheva, A.S.; Kuznetsov, N.T.; Zemskova, L.A.; Mistryukov, V.E.; Solntsev, K.A. A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6 Zhurnal Neorganicheskoi Khimii, 1982, 27, 2343-2347 |
1530436 | CIF | Na4 Ni7 O24 P6 | C 1 m 1 | 10.55; 13.985; 6.398 90; 104.87; 90 | 912.359 | Moring, J.; Kostiner, E. The crystal structure of Na4 Ni7 (P O4)6 Journal of Solid State Chemistry, 1986, 62, 105-111 |
1530677 | CIF | Cr4 H6 Li3 O19 P | C 1 m 1 | 9.635; 12.019; 7.696 90; 110.4; 90 | 835.325 | Saf'yanov, Yu.N.; Kuz'min, E.A.; Bochkova, R.I.; Belov, N.V. The crystal structure of Li3 Cr4 P O16 (H2 O)3 Doklady Akademii Nauk SSSR, 1981, 257, 619-621 |
1531306 | CIF | Al8.96 H34.32 O89.16 Si27.04 Sr4.56 | C 1 m 1 | 17.642; 17.775; 7.414 90; 116.897; 90 | 2073.42 | Doebelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: a single-crystal X-ray study American Mineralogist, 2003, 88, 527-533 |
1531632 | CIF | Al Cu In O4 | C 1 m 1 | 5.728; 3.309; 8.352 90; 103.2; 90 | 154.121 | Kutoglu, A.; Roesler, A.; Reinen, D. Die Cu Al In O4-Struktur - roentgenographische und spektroskopische Untersuchungen an Verbindungen M(II) Me(III) In O4 (M(II). Mn(II) - Zn(II), Me(III). Al, Ga) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 130-146 |
1531759 | CIF | Ca2 Co O3 | C 1 m 1 | 4.8339; 4.5582; 10.8436 90; 98.14; 90 | 236.519 | Miyazaki, Y.; Onoda, M.; Oku, T.; Kikuchi, M.; Ishii, Y.; Ono, Y.; Morii, Y.; Kajitani, T. Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2 Journal of the Physical Society of Japan, 2002, 71, 491-497 |
1531762 | CIF | Co O2 | C 1 m 1 | 4.8339; 2.8238; 10.8436 90; 98.14; 90 | 146.524 | Miyazaki, Y.; Ono, Y.; Oku, T.; Kikuchi, M.; Onoda, M.; Kajitani, T.; Ishii, Y.; Morii, Y. Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2 Journal of the Physical Society of Japan, 2002, 71, 491-497 |
1532049 | CIF | O3 Pb Ti0.48 Zr0.52 | C 1 m 1 | 5.752; 5.7431; 4.0912 90; 90.48; 90 | 135.145 | Ragini; Ranjan, R.; Mishra, S.K.; Pandey, D. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics, 2002, 92, 3266-3274 |
1532054 | CIF | O3 Pb Ti0.475 Zr0.525 | C 1 m 1 | 5.7532; 5.738; 4.09 90; 90.49; 90 | 135.014 | Ragini; Ranjan, R.; Pandey, D.; Mishra, S.K. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics, 2002, 92, 3266-3274 |
1532057 | CIF | O3 Pb Ti0.47 Zr0.53 | C 1 m 1 | 5.776; 5.7508; 4.09 90; 90.471; 90 | 135.851 | Ragini; Pandey, D.; Ranjan, R.; Mishra, S.K. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics, 2002, 92, 3266-3274 |
1532118 | CIF | Ba0.48 Fe0.66 H14.56 K4.52 Mg0.44 Na2.4 Nb3.2 O61.92 Si16 Ti4.8 | C 1 m 1 | 14.45; 13.91; 7.836 90; 117.42; 90 | 1398.08 | Rozenberg, K.A.; Rastsvetaeva, R.K.; Subbotin, V.V.; Chukanov, N.V. Acentric niobium-rich analogue of labuntsovite-Fe: crystal structure and microtwinning Kristallografiya, 2002, 47, 453-456 |
1533071 | CIF | Ba0.2 Ca0.7 Fe0.08 H22.68 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64 | C 1 m 1 | 14.491; 13.911; 7.822 90; 117.59; 90 | 1397.49 | Rozenberg, K.A.; Chukanov, N.V.; Rastsvetaeva, R.K.; Pekov, I.V. New zinc-rich representative of the labuntsovite group: crystal structure and microtwinning Doklady Akad. Nauk, 2002, 383, 657-660 |
1533072 | CIF | Ba1.51 H24.9 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2 | C 1 m 1 | 14.326; 13.802; 7.783 90; 116.949; 90 | 1371.8 | Rozenberg, K.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Chukanov, N.V. Crystal structure of the new mineral tsepinite-K Doklady Akad. Nauk, 2002, 386, 345-349 |
1533092 | CIF | Al8.7 Cd4.36 H58.16 O101.08 Si27.3 | C 1 m 1 | 17.721; 18.035; 7.429 90; 116.26; 90 | 2129.26 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
1533093 | CIF | Al8.7 Cd4.15 H53.84 O98.92 Si27.3 | C 1 m 1 | 17.719; 18.008; 7.428 90; 116.337; 90 | 2124.13 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
1533094 | CIF | Al8.7 Cd4.02 H51.16 O97.58 Si27.3 | C 1 m 1 | 17.647; 17.831; 7.407 90; 116.48; 90 | 2086.2 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
1533095 | CIF | Al8.7 Cd4.05 H26.12 O85.06 Si27.3 | C 1 m 1 | 17.65; 17.525; 7.4355 90; 116.963; 90 | 2049.92 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
1533949 | CIF | Ni7 O24 P6 Tl4 | C 1 m 1 | 10.711; 14.275; 6.688 90; 103.5; 90 | 994.338 | Panahandeh, A.; Jung, W. The oxidation of heterogeneous Tl/Ni/P alloys - preparation and crystal structures of the thallium nickel phosphates Tl Ni4 (P O4)3, Tl4 Ni7 (P O4)6 and Tl2 Ni4 (P2 O7) (P O4)2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 1651-1660 |
1534632 | CIF | Pr8.303 Sb20.03 | C 1 m 1 | 28.591; 4.263; 13.561 90; 95.52; 90 | 1645.2 | Schmidt, T.; Altmeyer, R.O.; Jeitschko, W. The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure Journal of Solid State Chemistry, 2003, 173, 259-272 |
1534635 | CIF | Nd8.303 Sb19.98 | C 1 m 1 | 28.452; 4.247; 13.459 90; 95.42; 90 | 1619.06 | Schmidt, T.; Altmeyer, R.O.; Jeitschko, W. The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure Journal of Solid State Chemistry, 2003, 173, 259-272 |
1535634 | CIF | C4 H4 Er2 O12 | C 1 m 1 | 7.7734; 14.92; 4.7308 90; 90.12; 90 | 548.673 | Mueller-Buschbaum, K. Er2 (C O3)2 (C2 O4) (H2 O)2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1761-1764 |
1535663 | CIF | H10 Mo3 N2 O S13 | C 1 m 1 | 11.649; 16.444; 5.729 90; 117.55; 90 | 972.985 | Mueller, A.; Wittneben, V.; Krickemeyer, E.; Lemke, M.; Boegge, H. Studies on the Triangular Cluster (Mo3S13)(2-): Electronic Structure (Xalpha Calculations, XPS), Crystal Structure of (Ph4As)2(Mo3S13)*2CH3CN and a Refinement of the Crystal Structure of (NH4)2(Mo3S13)*H2O Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 605, 175-188 |
1535719 | CIF | C K N | C 1 m 1 | 5.5307; 5.2093; 3.7431 90; 85.58; 90 | 107.522 | Decker, D.L.; Beyerlein, R.A.; Worlton, T.G.; Roult, G. Neutron diffraction study of K C N-III and K C N-IV at high pressure Physical Review, Serie 3. B - Solid State (1,1970-17,1977), 1974, 10, 3584-3593 |
1535792 | CIF | Cl4 Cs2 O2 U | C 1 m 1 | 12.005; 7.697; 5.85 90; 100; 90 | 532.342 | Tutov, A.G.; Usov, O.A.; Plakhtii, V.P.; Chernenkov, Yu.P.; Bublyaev, R.A. Neutron diffraction refinement of the structure of a nonlinear optical crystal of dicesium uranyltetrachloride Cs2 U O2 Cl4 Kristallografiya, 1991, 36, 1135-1138 |
1535798 | CIF | B3 Ca4 Gd O10 | C 1 m 1 | 8.104; 16.03; 3.5584 90; 101.25; 90 | 453.379 | Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2 Zhurnal Neorganicheskoi Khimii, 1993, 38, 917-920 |
1535824 | CIF | C2 H12 F6 N6 Ti | C 1 m 1 | 12.869; 7.378; 6.243 90; 114.45; 90 | 539.6 | Calov, U.; Schneider, M.; Leibnitz, P. Guanidiniumhexafluorometallate von Titan, Silicium, Germanium und Zinn. Guanidiniumpentafluorooxoniobat und Guanidiniumtetrafluorodioxowolframat Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 604, 77-83 |
1536548 | CIF | B6 Ca8 O20 Sm2 | C 1 m 1 | 8.132; 16.081; 3.583 90; 101.31; 90 | 459.452 | Khamaganova, T.N.; Trunov, V.K.; Dzhurinskii, B.F. Crystal structure of calcium samarium double oxoborate Sm2Ca8O2(BO3)6 Zhurnal Neorganicheskoi Khimii, 1991, 36, 855-857 |
1536850 | CIF | Ba H2 Mn2 O10 Si2 Ti | C 1 m 1 | 10.7232; 13.812; 12.563 90; 119.9; 90 | 1613.03 | Rastsvetaeva, R.K.; Tamazyan, R.A.; Belakovskii, D.I.; Sokolova, E.V. Crystal structures of two modifications of natural Ba, Mn-titanium silicate. Kristallografiya, 1991, 36, 354-360 |
1537005 | CIF | O14 Ru3 Sn15 | C 1 m 1 | 12.39; 7.074; 12.908 90; 108.6; 90 | 1072.25 | Reichelt, W.; Simon, A.; Rademacher, O.; Oppermann, H.; Soehnel, T.; Koehler, J.; Mattausch, H.J. Condensed Ru Sn6 octahedra in Ru3 Sn15 O14 Angewandte Chemie (Edition international), 1995, 34, 2113-2114 |
1537624 | CIF | Al2 Ca1.23 H12 O24 Si7 | C 1 m 1 | 17.718; 17.897; 7.428 90; 116.42; 90 | 2109.4 | Alberti, A. On the crystal structure of the zeolite heulandite Tschermaks Mineralogische und Petrographische Mitteilungen (-1978), 1972, 18, 129-146 |
1539634 | CIF | As3 Cr4 | C 1 m 1 | 13.168; 3.542; 9.302 90; 102.19; 90 | 424.073 | Baurecht, H.E.; Nowotny, H.; Boller, H. The crystal structure of Cr4 As3 Monatshefte fuer Chemie (-108,1977), 1970, 101, 1696-1703 |
1539969 | CIF | Mn2 O7 P1.09 V0.91 | C 1 m 1 | 6.794; 8.621; 4.271 90; 104.07; 90 | 242.652 | Yakubovich, O.V.; Anan'eva, E.N.; Dimitrova, O.V. Crystal structure of the solid solution Mn2 (Px V1-x) (Vy P1-y) O7 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 2000, 26, 586-591 |
1540241 | CIF | Se7 Y4.68 | C 1 m 1 | 13.213; 3.949; 12.035 90; 104.82; 90 | 607.074 | Kim, S.-J.; Franzen, H.F. The crystal structure of a new phase in the Y - Se system Journal of the Less-Common Metals, 1988, 138, L29-L32 |
1540704 | CIF | Ca3 O5 Si | C 1 m 1 | 12.235; 7.073; 9.298 90; 116.31; 90 | 721.279 | Mumme, W.G. Crystal structure of tricalcium silicate from a Portland cement clinker and its application to quantitative XRD analysis N. Jb. Miner. Mh, 1995, 4, 145-160 |
1540705 | CIF | Ca3 O5 Si | C 1 m 1 | 33.1078; 7.0355; 18.5211 90; 94.137; 90 | 4302.88 | de la Torre, A.G.; Bruque, S.; Campo, J.; Aranda, M.A.G. The superstructure of C3S from synchrotron and neutron powder diffraction and its role in quantitative phase analyses Cement and Concrete Research, 2002, 32, 1347-1356 |
1540899 | CIF | Ce1.18 Cl3.63 La2 O6 Ta | C 1 m 1 | 35.283; 5.429; 9.517 90; 98.92; 90 | 1800.95 | Schaffrath, U.; Gruehn, R. Zur Praeparation und zum thermischen Verhalten von Ln2 CeTaO6Cl3 (Ln= La-Nd) und Ce3TaO5(OH)Cl3 sowie zur Struktur und Phasenbreite des thermischen Abbauproduktes "La2(Cex)(3+) (Ce1-x)(4+)TaO6Cl3-x" Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 589, 139-157 |
1543299 | CIF | C39 H56 Cl3 Ga Ge N4 O2 Se2 | C 1 m 1 | 16.2434; 21.8215; 7.6828 90; 110.197; 90 | 2555.76 | Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te) Chem. Sci., 2016, 7, 5462 |
1543302 | CIF | C39 H56 Cl3 Ga Ge N4 O2 S2 | C 1 m 1 | 16.323; 21.5944; 7.6252 90; 109.772; 90 | 2529.32 | Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te) Chem. Sci., 2016, 7, 5462 |
1544071 | CIF | C10 H7 Ag2 Fe N7 | C 1 m 1 | 6.734; 12.536; 9.12 90; 118.622; 90 | 675.8 | Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate New J. Chem., 2016, 40, 9012 |
1548892 | CIF HKL Paper | Al4 Cr | C 1 m 1 | 5.1574; 17.413; 5.1107 90; 100.357; 90 | 451.49 | Fan, Changzeng; Liu, Cong Crystal structure of ω-Al~4~Cr IUCrData, 2018, 3, x180216 |
1548974 | CIF | H4 Mg0.24 Ni2.76 O9 Si2 | C 1 m 1 | 5.29; 9.17; 7.26 90; 90; 90 | 352 | Brindley, G. W.; Wan, H. M. Composition, structures, and thermal behavior of nickel-containing minerals in the lizardite-nepouite series American Mineralogist, 1975, 60, 863-871 |
1549986 | CIF | C Cs3 O8 V | C 1 m 1 | 9.447; 10.129; 6.1571 90; 123.42; 90 | 491.7 | Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response. Chemical science, 2018, 9, 8957-8961 |
1551030 | CIF | C201 H227 N18 Ni3 | C 1 m 1 | 24.352; 26.043; 16.592 90; 122.777; 90 | 8847 | Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals Chemical Science, 2019 |
1552762 | CIF | C137 H190 Ag46 O76 S38 V10 | C 1 m 1 | 25.751; 30.6808; 19.5302 90; 126.577; 90 | 12391.3 | Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di Enclosing classical polyoxometallates in silver nanoclusters. Nanoscale, 2019, 11, 10927-10931 |
1558443 | CIF | H2 K O3 P S | C 1 m 1 | 6.549; 6.317; 5.894 90; 109.13; 90 | 230.37 | Janickis, Vitalijus; Maroy, Kjartan The Dihydrogenmonothiophosphate and Trihydrogendisulfanediphosphonate Anions. Crystal Structures of KH2SPO3 and [Co(en)2Cl2]H3S2P2O6 Acta Chemica Scandinavica, 1994, 48, 461-464 |
1559526 | CIF | Al13 S21 Tl3 | C 1 m 1 | 25.242; 14.9; 9.259 90; 103.81; 90 | 3381.7 | Krebs, Bernt; Greiwing, Horst Preparation and Crystal Structure of Tl3Al13S21, A Novel Ternary Sulfide Structure Type Acta Chemica Scandinavica, 1991, 45, 833-839 |
1562284 | CIF | Ag1.75 In Sb5.75 Se11 | C 1 m 1 | 13.4191; 4.0844; 19.1652 90; 105.83; 90 | 1010.59 | Hao, Wenyu; Han, Yemao; Huang, Rongjin; Feng, Kai; Yin, Wenlong; Yao, Jiyong; Wu, Yicheng Ag1.75InSb5.75Se11: A new noncentrosymmetric compound with congruent-melting behavior Journal of Solid State Chemistry, 2014, 218, 196-201 |
1564457 | CIF | B4 Cu H24 N4 O13 | C 1 m 1 | 10.419; 27.922; 8.106 90; 111.222; 90 | 2198.3 | Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T. Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals Inorganica Chimica Acta, 2020, 509, 119693 |
1564885 | CIF | C10 H13 Cu N5 O4 S2 | C 1 m 1 | 12.6665; 12.41; 4.8699 90; 99.2339; 90 | 755.59 | Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L. Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion Inorganica Chimica Acta, 2020, 507, 119568 |
1566885 | CIF | C H N O S | C 1 m 1 | 9.1813; 32.2736; 40.651 90; 96.354; 90 | 11971.5 | Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability Chemical Science, 2022 |
2001888 | CIF Paper | C6 H8 Br N | C 1 m 1 | 8.785; 8.318; 4.92 90; 103.62; 90 | 349.4 | Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A. Structure of 4-methylpyridinium bromide Acta Crystallographica Section C, 1993, 49, 548-550 |
2002438 | CIF | Mn2 O20 Ta6 Zn3 | C 1 m 1 | 5.2; 14.468; 4.955 90; 90; 90 | 372.8 | Rohweder, U; Muelle-Buschbaum, Hk Zur Kristallchemie der Oxotantalate. IV. Zur Kenntnis der metastabilen Hochtemperaturverbindung Mn2 Zn3 Ta6 O20 Journal of the Less-Common Metals, 1989, 152, 7-13 |
2003118 | CIF Paper | C19 Er10 Ru10 | C 1 m 1 | 14.578; 7.2194; 10.004 90; 111.36; 90 | 980.5 | Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B, 1998, 54, 834-850 |
2005078 | CIF Paper | C6 H9 N S | C 1 m 1 | 8.679; 7.964; 4.86 90; 101.1; 90 | 329.64 | Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M. 4-Methylpyridinium Hydrogen Sulfide Acta Crystallographica Section C, 1996, 52, 1701-1702 |
2005895 | CIF Paper | O14 Os3 Sn15 | C 1 m 1 | 12.399; 7.09; 12.939 90; 108.49; 90 | 1078.7 | Söhnel, T.; Reichelt, W. Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern Acta Crystallographica Section C, 1997, 53, 9-11 |
2006911 | CIF Paper | Co7 Na4 O24 P6 | C 1 m 1 | 10.506; 14.39; 6.471 90; 105.79; 90 | 941.38 | Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~ Acta Crystallographica Section C, 1998, 54, 7-9 |
2007733 | CIF Paper | C20 H44 Cl3 Cu N4 Na O20 | C 1 m 1 | 12.6528; 25.849; 5.7717 90; 102.626; 90 | 1842.06 | Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate Acta Crystallographica Section C, 1998, 54, 1389-1393 |
2009875 | CIF Paper | C H6 N4 O3 | C 1 m 1 | 12.686; 7.274; 3.629 90; 120.85; 90 | 287.5 | Katrusiak, A.; Szafrański, M. Guanidinium nitrate Acta Crystallographica Section C, 1994, 50, 1161-1163 |
2015114 | CIF HKL Paper | C13 H6 O4 S5 | C 1 m 1 | 7.2228; 24.518; 5.033 90; 120.521; 90 | 767.8 | Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng 4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione Acta Crystallographica Section C, 2005, 61, o583-o585 |
2016362 | CIF HKL Paper | Nb0.61 O3 Pb Ti0.08 Zn0.31 | C 1 m 1 | 5.7461; 5.7278; 4.0409 90; 90.155; 90 | 132.996 | Forrester, Jennifer S.; Kisi, Erich H. Monoclinic PZN-8%PT [Pb(Zn~0.3066~Nb~0.6133~Ti~0.08~)O~3~] at 4K Acta Crystallographica Section C, 2007, 63, i115-i118 |
2018872 | CIF | B3 Ca5 F O9 | C 1 m 1 | 8.129; 16.051; 3.539 90; 100.94; 90 | 453.372 | Huang, Q.; Zheng, Y.; Lei, S.; Chen, C.; Jiang, A. Structure of calcium fluoroborate, Ca5 (B O3)3 F Acta Crystallographica C (39,1983-), 1989, 45, 1861-1863 |
2021827 | CIF HKL Paper | C19 H24 N6 O6 | C 1 m 1 | 7.2053; 25.253; 6.5134 90; 120.939; 90 | 1016.52 | Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns Acta Crystallographica Section C, 2019, 75 |
2100080 | CIF Paper | C38 H39 Mo N O4 P2 | C 1 m 1 | 13.796; 16.637; 9.462 90; 124.43; 90 | 1791.3 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
2105071 | CIF HKL Paper | C5 H6 Cl Cr N O3 | C 1 m 1 | 7.7193; 8.6842; 6.3139 90; 96.25; 90 | 420.74 | Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B, 2012, 68, 128-136 |
2105988 | CIF HKL Paper | Fe3.539 H4 O9 Si1.461 | C 1 m 1 | 5.5033; 9.5289; 7.3328 90; 104.493; 90 | 372.3 | Hybler, Jiří Refinement of cronstedtite-1<i>M</i> Acta Crystallographica Section B, 2014, 70, 963-972 |
2106048 | CIF | Cu1.82 O11 V4 | C 1 m 1 | 15.38; 3.61; 7.37 90; 102; 90 | 400.254 | Galy, J.; Lavaud, D. Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1005-1009 |
2107231 | CIF | La2.98364 Mn S5.45455 | C 1 m 1 | 16.65; 14.082; 17.82 90; 143.3; 90 | 2496.98 | Collin, G.; Laruelle, P. Structure cristalline de La32,66 M11 S6 (M= Mn, Fe) Acta Crystallographica B (24,1968-38,1982), 1974, 30, 1134-1139 |
2108260 | CIF HKL | Cu0.184 F3 H8 Mg0.816 O12 U3 | C 1 m 1 | 7.1015; 11.7489; 8.1954 90; 98.087; 90 | 676.98 | Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine Acta Crystallographica Section B, 2018, 74 |
2202397 | CIF HKL Paper | C29 H42 Cs2 N4 O6 | C 1 m 1 | 13.0109; 17.372; 7.8427 90; 107.979; 90 | 1686.1 | Liddle, Stephen T.; Clegg, William Polymeric (18-crown-6)bis(2-amidopyridinecaesium) toluene solvate Acta Crystallographica Section E, 2003, 59, m1062-m1064 |
2203622 | CIF HKL Paper | C22 H32 N2 O | C 1 m 1 | 7.9959; 6.8268; 17.2125 90; 92.67; 90 | 938.55 | Deschamps, Jeffrey R.; Parrish, Damon; Zaveri, Nurulain T.; Jiang, Faming 1-[1-(<i>trans</i>-4-Isopropylcyclohexyl)piperidin-4-yl]indolin-2-one, one of a novel series of nociceptin receptor ligands Acta Crystallographica Section E, 2004, 60, o791-o792 |
2216814 | CIF HKL Paper | C12 H12 K2 O8 S2 | C 1 m 1 | 5.8316; 19.691; 14.623 90; 98.953; 90 | 1658.7 | Graham Smith; Urs D. Wermuth; Peter C. Healy Dipotassium biphenyl-4,4'-disulfonate dihydrate: a coordination polymer Acta Crystallographica Section E, 2007, 63, m3056-m3057 |
2217992 | CIF HKL Paper | C55 H40 Cl F9 O P3 Rh | C 1 m 1 | 10.831; 23.724; 9.845 90; 108.213; 90 | 2403 | Lorenzini, Fabio; Patrick, Brian O.; James, Brian R. Chloridotris[tris(4-fluorophenyl)phosphine]rhodium(I) methanol solvate Acta Crystallographica Section E, 2008, 64, m512-m513 |
2242413 | CIF HKL Paper | C5.33333 H8.33333 Br Cl I N2 | C 1 m 1 | 13.9135; 21.9492; 6.4529 90; 128.314; 90 | 1546.2 | Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides Acta Crystallographica Section E, 2018, 74, 497-501 |
2242690 | CIF HKL | C15 H19 Co N2 O6 | C 1 m 1 | 8.1971; 13.942; 7.4148 90; 91.588; 90 | 847.1 | Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III) Acta Crystallographica Section E, 2018, 74, 1637-1642 |
2242691 | CIF HKL | C16 H21 Co N2 O6 | C 1 m 1 | 8.2459; 13.9603; 7.9222 90; 96.997; 90 | 905.17 | Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III) Acta Crystallographica Section E, 2018, 74, 1637-1642 |
2243818 | CIF HKL Paper | As H O7 Te Zn2 | C 1 m 1 | 6.904; 7.7212; 5.726 90; 101.196; 90 | 299.43 | Eder, Felix; Weil, Matthias Crystal structure of Zn~2~(HTeO~3~)(AsO~4~) Acta Crystallographica Section E, 2021, 77, 555-558 |
2300580 | CIF | D V2 | C 1 m 1 | 4.46; 3; 4.46 90; 95.5; 90 | 59.4 | Westlake, D.G.; Mueller, M.H.; Knott, H.W. Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system Journal of Applied Crystallography, 1973, 6, 206-216 |
3000307 | CIF | B3 Ca4 Dy O10 | C 1 m 1 | 8.0865; 16.0374; 3.54201 90; 101.184; 90 | 450.63 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000308 | CIF | B3 Ca4 Er O10 | C 1 m 1 | 8.05839; 15.9814; 3.51846 90; 101.115; 90 | 444.62 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000309 | CIF | B3 Ca4 Gd O10 | C 1 m 1 | 8.0942; 16.0133; 3.55682 90; 101.254; 90 | 452.15 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000310 | CIF | B3 Ca4 La O10 | C 1 m 1 | 8.1844; 16.0893; 3.6306 90; 101.369; 90 | 468.7 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000311 | CIF | B3 Ca4 Nd O10 | C 1 m 1 | 8.11934; 16.043; 3.59765 90; 101.378; 90 | 459.41 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000312 | CIF | B3 Ca4 O10 Sm | C 1 m 1 | 8.1267; 16.0711; 3.5862 90; 101.315; 90 | 459.27 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000313 | CIF | B3 Ca4 O10 Y | C 1 m 1 | 8.0737; 16.0088; 3.52827 90; 101.166; 90 | 447.4 | Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics, 2021, 130, 095102 |
3000496 | On hold until 2024-09-12 | Co O2 | C 1 m 1 | 4.83; 2.82; 4.5 90; 98; 90 | 60.696 | Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties To be published in Advanced Materials Interfaces |
4000077 | CIF | C75 H84 N9 O9 S3 | C 1 m 1 | 13.854; 77.733; 7.5814 90; 121.055; 90 | 6994.3 | Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018 |
4001055 | CIF | C2 H12 Co3 N2 O14 S3 | C 1 m 1 | 11.6795; 19.9926; 8.9249 90; 93.168; 90 | 2080.81 | Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D. Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity Chemistry of Materials, 2009, 21, 4102 |
4001738 | CIF | B3 Ca4 O10 Sm | C 1 m 1 | 8.114; 16.061; 3.579 90; 101.38; 90 | 457.242 | Nygren, M.; Bovin, J.O.; Norrestam, R. Structural investigations of new calcium-rare earth (R) oxyborates with the composition Ca4RO(BO3)3 Chemistry of Materials (1,1989-), 1992, 4, 737-743 |
4001759 | CIF | C7 F N2 O24 Si12 | C 1 m 1 | 10.498797; 14.91631; 8.846944 90; 106.057; 90 | 1331.41 | Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A. Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW Chemistry of Materials, 2013, 25, 729 |
4002530 | CIF | Co1.8 O6.6 Pb0.83 Sr2.26 | C 1 m 1 | 4.9432; 25.134; 11.617 90; 97.78; 90 | 1430.04 | Pelloquin, D.; Maignan, A.; Hervieu, M.; Hebert, S.; Martin, C.; Michel, C.; Wang, L.-B.; Raveau, B. New misfit cobaltites (Pb0.7 A0.4 Sr1.9 O3) (Co O2)1.8 (A = Hg, Co)with large thermopower Chemistry of Materials (1,1989-), 2002, 14, 3100-3105 |
4002747 | CIF | C57 H36 N12 Ni3 O18 | C 1 m 1 | 16.384; 28.376; 13.079 90; 95.57; 90 | 6052 | Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks Chemistry of Materials, 2017, 29, 3899 |
4003232 | CIF | C3 Ca2 F Na3 O9 | C 1 m 1 | 8.0892; 15.9002; 3.5273 90; 101.662; 90 | 444.32 | Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material Chemistry of Materials, 2016, 28, 2301 |
4003384 | CIF | C2 H12 F N6 O3 P | C 1 m 1 | 13.2025; 7.2951; 11.7574 90; 119.71; 90 | 983.54 | Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2018, 30, 7823 |
4003665 | CIF | Bi2 F2 O9 Rb2 Se3 | C 1 m 1 | 13.096; 5.955; 7.727 90; 92.877; 90 | 601.8 | Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps Chemistry of Materials, 2020 |
4003666 | CIF | Bi2 F2 K2 O9 Se3 | C 1 m 1 | 12.8396; 5.8831; 7.6506 90; 93.076; 90 | 577.07 | Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps Chemistry of Materials, 2020 |
4022639 | CIF | C391 H66 Cl18 O10 | C 1 m 1 | 20.31; 20.105; 27.042 90; 99.637; 90 | 10887 | Michael Sander; Thibaut Jarrosson; Shih-Ching Chuang; Saeed I. Khan; Yves Rubin Approaches to Open Fullerenes: Synthesis and Thermal Stability of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C~60~ Journal of Organic Chemistry, 2007, 72, 2724-2731 |
4029287 | CIF | C39 H39 N9 | C 1 m 1 | 7.6467; 24.339; 17.615 90; 94.85; 90 | 3266.6 | Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics. The Journal of organic chemistry, 2014, 79, 3559-3571 |
4029707 | CIF | C16 H20 N4 O2 | C 1 m 1 | 5.1513; 25.835; 6.7094 90; 99.501; 90 | 880.7 | Sell, Hanno; Näther, Christian; Herges, Rainer Amino-substituted diazocines as pincer-type photochromic switches. Beilstein journal of organic chemistry, 2013, 9, 1-7 |
4030523 | CIF | H10 Mo3 N2 O S13 | C 1 m 1 | 11.613; 16.468; 5.722 90; 117.38; 90 | 971.7 | Muller, A.; Diemann, E.; Krickemeyer, E.; Walberg, H.-J.; Bogge, H.; Armatage, A. [MO3IVS(S2)6]2- from amorphous MoS3 by the reaction with OH- and R = 0.015 structure of (NH4)2[MO3IVS(S2)6].H2O European Journal of Solid State and Inorganic Chemistry, 1993, 30, 565-572 |
4030525 | CIF | F14 Sr4 Zn3 | C 1 m 1 | 6.743; 11.683; 7.191 90; 90.02; 90 | 566.5 | Karim, M.; El-Ghozzi, M.; Latouche, C.; Avignant, D. Crystal structure of Sr4Zn3F14 : a new stoichiometry in MF2-M'F2 systems European Journal of Solid State and Inorganic Chemistry, 1993, 30, 595-607 |
4032789 | CIF | C6 H9 N3 O2 | C 1 m 1 | 7.693; 6.6662; 7.3655 90; 101.9; 90 | 369.608 | Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872 |
4060377 | CIF | C15 H26 Ru S3 | C 1 m 1 | 8.94; 14.049; 8.0857 90; 122.452; 90 | 857 | Hon Man Lee Organometallics, 2005 |
4068113 | CIF | C13 H11 Br2 N2 Sb | C 1 m 1 | 7.7806; 16.546; 5.5726 90; 98.455; 90 | 709.6 | Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P. Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases? Organometallics, 2012, 31, 1025 |
4073996 | CIF | C50 H74 B3 Cl5 F12 N6 Ru4 | C 1 m 1 | 20.6064; 15.2933; 11.5848 90; 111.056; 90 | 3407.1 | Viciano, Mónica; Sanaú, Mercedes; Peris, Eduardo Ruthenium Janus-Head Complexes with a Triazolediylidene Ligand. Structural Features and Catalytic Applications Organometallics, 2007, 26, 6050 |
4079766 | CIF | C26 H39 Ca I O4 | C 1 m 1 | 12.1149; 13.5272; 8.3474 90; 99.737; 90 | 1348.27 | Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides Organometallics, 2012, 31, 8647 |
4081429 | CIF | C16 H37 Cl4 N Ni P2 | C 1 m 1 | 11.4524; 14.56303; 7.24125 90; 104.109; 90 | 1171.28 | Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H. Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole Organometallics, 2013, 32, 5153 |
4085839 | CIF | C54 H110 N2 Os2 P4 | C 1 m 1 | 15.461; 17.256; 11.892 90; 100.563; 90 | 3119 | Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A. Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH Organometallics, 2015, 34, 1898 |
4088189 | CIF | C16 H36 Pb Si4 | C 1 m 1 | 11.7157; 17.054; 6.2809 90; 112.405; 90 | 1160.2 | Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz Pyramidanes: The Covalent Form of the Ionic Compounds Organometallics, 2016, 35, 346 |
4101859 | CIF | B3 Bi Cd4 O10 | C 1 m 1 | 8.044; 15.913; 3.4891 90; 100.08; 90 | 439.7 | Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures Journal of the American Chemical Society, 2010, 132, 1508-1509 |
4112882 | CIF | O48 Si24 | C 1 m 1 | 10.336; 15.0177; 8.8639 90; 105.356; 90 | 1326.76 | Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
4112883 | CIF | C6 F N2 O24 Si12 | C 1 m 1 | 10.44783; 14.9854; 8.83659 90; 105.935; 90 | 1330.34 | Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
4114343 | CIF | C16 H36 Cl2 F2 P2 Pd | C 1 m 1 | 10.955; 14.568; 6.737 90; 99.408; 90 | 1060.71 | Anette Yahav; Israel Goldberg; Arkadi Vigalok Synthesis of the Elusive (R3P)2MF2 (M = Pd, Pt) Complexes Journal of the American Chemical Society, 2003, 125, 13634-13635 |
4119946 | CIF | C16 H36 Si4 Sn | C 1 m 1 | 11.742; 17.046; 6.316 90; 112.5; 90 | 1167.9 | Vladimir Ya. Lee; Yuki Ito; Akira Sekiguchi; Heinz Gornitzka; Olga A. Gapurenko; Vladimir I. Minkin; Ruslan M. Minyaev Pyramidanes Journal of the American Chemical Society, 2013, 135, 8794-8797 |
4124116 | CIF | C10 F2 N4 O48 Si24 | C 1 m 1 | 10.44783; 14.9854; 8.83659 90; 105.935; 90 | 1330.33 | Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y. Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
4130988 | CIF | C64 H72 Au8 F24 N30 P4 | C 1 m 1 | 29.525; 23.121; 14.177 90; 103.333; 90 | 9417 | Altmann, Philipp J.; Pöthig, Alexander Pillarplexes: A Metal-Organic Class of Supramolecular Hosts. Journal of the American Chemical Society, 2016, 138, 13171-13174 |
4134134 | CIF | C4 H9 Cl N8 O2 | C 1 m 1 | 12.876; 19.258; 3.752 90; 90.828; 90 | 930.3 | Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials. Journal of the American Chemical Society, 2020 |
4134813 | CIF | C7 H21 Br7 N4 Pb2 | C 1 m 1 | 8.4615; 8.465; 16.004 90; 89.99; 90 | 1146.3 | Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G. Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>. Journal of the American Chemical Society, 2020 |
4305720 | CIF | C12 H16 Cl3 N8 Os | C 1 m 1 | 11.229; 12.259; 7.008 90; 104.11; 90 | 935.6 | Iryna Stepanenko; Artem A. Krokhin; Roland O. John; Alexander Roller; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity In Vitro of Novel Osmium(III) Complexes with Azole Heterocycles Inorganic Chemistry, 2008, 47, 7338-7347 |
4307287 | CIF | C23 H39 B Cl7 Co N9 | C 1 m 1 | 9.6047; 21.543; 9.32 90; 105.398; 90 | 1859.2 | Finith E. Jernigan; Nathan A. Sieracki; Michael T. Taylor; Aaron S. Jenkins; Sharon E. Engel; Brittany W. Rowe; Fernando A. Jové; Glenn P. A. Yap; Elizabeth T. Papish; Gregory M. Ferrence Sterically Bulky Tris(triazolyl)borate Ligands as Water-Soluble Analogues of Tris(pyrazolyl)borate Inorganic Chemistry, 2007, 46, 360-362 |
4310272 | CIF | C14 H6 Ag N7 O3 | C 1 m 1 | 7.3277; 25.005; 5.3681 90; 128.929; 90 | 765.16 | Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI Inorganic Chemistry, 2004, 43, 181-188 |
4311225 | CIF | C39 H80 Cl2 N13 O20 P Zn4 | C 1 m 1 | 17.586; 14.211; 12.943 90; 109.96; 90 | 3040.3 | Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases Inorganic Chemistry, 2004, 43, 4189-4202 |
4313843 | CIF | C32 H70 Li2 N6 O2 P2 | C 1 m 1 | 11.917; 16.255; 11.025 90; 108.76; 90 | 2022.2 | Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage Inorganic Chemistry, 2003, 42, 3994-4005 |
4314415 | CIF | C8 H6 Ag F6 N4 O P S | C 1 m 1 | 11.0769; 10.2263; 6.0199 90; 112.153; 90 | 631.57 | Chong-Qing Wan; Liang Zhao; Thomas C. W. Mak Dipyrazinyl Sulfoxide Complexes of Silver(I), Zinc(II), and Cadmium(II): Ligation Modes and Anion Tuning Inorganic Chemistry, 2010, 49, 97-107 |
4318258 | CIF | C6 Ge10 N4 O22 | C 1 m 1 | 14.0495; 12.8058; 9.2637 90; 128.406; 90 | 1306.06 | Lionel Beitone; Thierry Loiseau; Gérard Férey Hydrothermal Synthesis and Structural Characterization of a New Organically Templated Germanate, Ge10O21(OH).N4C6H21 Inorganic Chemistry, 2002, 41, 3962-3966 |
4320514 | CIF | C24 H43 Cl7 Fe3 Mo N3 O2 S4 | C 1 m 1 | 13.09; 19.775; 9.6856 90; 126.75; 90 | 2008.9 | Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters Inorganic Chemistry, 2001, 40, 5985-5999 |
4324929 | CIF | C20 H43 B22 F22 Hg N3 | C 1 m 1 | 16.6852; 16.0034; 11.2335 90; 131.437; 90 | 2248.7 | Alexander Himmelspach; Manfred Zähres; Maik Finze Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water Inorganic Chemistry, 2011, 50, 3186-3188 |
4326003 | CIF | As2 Ca2 Cd | C 1 m 1 | 21.5152; 4.3005; 14.3761 90; 110.017; 90 | 1249.81 | Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As) Inorganic Chemistry, 2011, 50, 8020-8027 |
4331410 | CIF | Ag3 P11 | C 1 m 1 | 12.999; 7.555; 6.612 90; 118.84; 90 | 568.809 | Jeitschko, W.; Moeller, M.H. Preparation and crystal structure of trisilver undecaphosphide, Ag3 P11, an unusual defect tetrahedral compound Inorganic Chemistry, 1981, 20, 833-839 |
4331829 | CIF | C F3 O3 Rb S | C 1 m 1 | 19.9674; 23.4892; 5.15189 90; 102.757; 90 | 2356.69 | Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3 Inorganic Chemistry, 2006, 45, 3217-3223 |
4335679 | CIF | F12 H2 O U3 | C 1 m 1 | 12.1594; 11.8457; 8.5409 90; 128.787; 90 | 958.92 | Jeongho Yeon; Mark D. Smith; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye U3F12(H2O), a Noncentrosymmetric Uranium(IV) Fluoride Prepared via a Convenient In Situ Route That Creates U4+ under Mild Hydrothermal Conditions Inorganic Chemistry, 2013, 52, 8303-8305 |
4336779 | CIF | Bi Co0.2 Fe0.8 O3 | C 1 m 1 | 5.33416; 5.33424; 4.70269 90; 90.0935; 90 | 133.809 | Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa Crystal and Magnetic Structure in Co-Substituted BiFeO3 Inorganic Chemistry, 2013, 52, 13269-13277 |
4340875 | CIF | C25 H24 Br4 F25 N3 O8 P4 Rh2 | C 1 m 1 | 14.074; 21.28; 9.6086 90; 124.859; 90 | 2361.3 | Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G. Halide-Bridged Binuclear HX-Splitting Catalysts. Inorganic chemistry, 2014, 53, 9122-9128 |
4341244 | CIF | C12 H28 Cd Cl4 N2 | C 1 m 1 | 17.874; 27.273; 11.528 90; 105.453; 90 | 5416 | Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4. Inorganic chemistry, 2014, 53, 11146-11151 |
4342499 | CIF | Bi1.5 Cr1.25 Se4 | C 1 m 1 | 6.1706; 17.748; 11.474 90; 95.04; 90 | 1251.7 | Clarke, Samantha M.; Freedman, Danna E. (BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds. Inorganic chemistry, 2015, 54, 2765-2771 |
4342502 | CIF | Bi1.5 Cr3 Se6.5 | C 1 m 1 | 6.2044; 17.9594; 17.2313 90; 93.537; 90 | 1916.4 | Clarke, Samantha M.; Freedman, Danna E. (BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds. Inorganic chemistry, 2015, 54, 2765-2771 |
4344256 | CIF | C12 H3 B O12 Ru4 | C 1 m 1 | 10.432; 15.709; 6.472 90; 112.86; 90 | 977.304 | Hong, F.E.; White, J.P.; McCarthy, D.A.; Cotrell, C.E.; Shore, S.G. Reaction of THF.BH3 with H2 Ru4 (C O)13 and H4 Ru4 (C O)12; Preparation and Structure of the Tetraruthenium 'butterfly' cluster H Ru4 (C O)12 B H2 Inorganic Chemistry, 1990, 29, 2874-2876 |
4347003 | CIF | C16 H32 Cl6 Cu3 O4 | C 1 m 1 | 11.376; 11.0267; 9.7439 90; 91.499; 90 | 1221.9 | Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role? Inorganic chemistry, 2016, 55, 3759-3766 |
4349749 | CIF | C18 H19 Ag F6 N3 O2 Sb | C 1 m 1 | 20.79; 17.444; 7.132 90; 108.868; 90 | 2447.5 | Das, Debarati; Biradha, Kumar Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation Inorganic Chemistry Frontiers, 2017, 4, 1365 |
4503488 | CIF | C15 H15 Cl5 Cu5 N3 S3 | C 1 m 1 | 10.894; 20.828; 5.325 90; 104.344; 90 | 1170.6 | Hao, Zheng-Ming; Zhang, Xian-Ming Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials Crystal Growth & Design, 2008, 8, 2359 |
4503568 | CIF | Cs2 Hg3 I8 | C 1 m 1 | 7.4415; 21.6629; 7.6726 90; 108.05; 90 | 1175.99 | Zhang, Gang; Qin, Jingui; Liu, Tao; Zhu, Tianxiang; Fu, Peizhen; Wu, Yicheng; Chen, Chuangtian Synthesis, Characterization, and Crystal Growth of Cs2Hg3I8: A New Second-Order Nonlinear Optical Material Crystal Growth & Design, 2008, 8, 2946 |
4506535 | CIF | C6 H12 I4 N2 | C 1 m 1 | 13.4915; 39.8655; 6.4622 90; 107.925; 90 | 3307 | Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts Crystal Growth & Design, 2012, 12, 4157 |
4508350 | CIF | C27 H45 F24 K N6 P4 | C 1 m 1 | 13.7662; 16.8462; 8.50641 90; 95.9664; 90 | 1962.02 | Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids Crystal Growth & Design, 2013, 13, 4615 |
5000090 | CIF | Al2 H8 O11 Si2 | C 1 m 1 | 5.2; 8.92; 10.25 90; 100; 90 | 468.2 | Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 35-43 |
5000156 | CIF | C H6 N4 O3 | C 1 m 1 | 12.706; 7.26; 3.6077 90; 121.01; 90 | 285.23 | Katrusiak, A.; Szafrański, M. Structural phase transitions in guanidinium nitrate Journal of Molecular Structure, 1996, 378, 205-223 |
6000753 | CIF | B3 Ca4 La O10 | C 1 m 1 | 8.1732; 16.086; 3.6268 90; 101.4; 90 | 467.42 | Zhang, Y.; Chen, X. L.; Liang, J. K.; Cao, Y. G.; Xu, T. Phase relations in the system La2O3-CaO-B2O3 Journal of Alloys and Compounds, 2001, 315, 198-202 |
7010680 | CIF | C24 H46 Cl2 O10 Ru4 | C 1 m 1 | 9.4441; 16.2936; 11.2913 90; 106.534; 90 | 1665.6 | Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+† Journal of the Chemical Society, Dalton Transactions, 2001, 2184 |
7010725 | CIF | C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 | C 1 m 1 | 16.331; 25.873; 10.726 90; 118.902; 90 | 3967.6 | Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D. Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units Journal of the Chemical Society, Dalton Transactions, 2001, 2009 |
7019214 | CIF | C8 H12 Ba N4 O7 | C 1 m 1 | 9.5261; 15.77; 4.3128 90; 97.767; 90 | 641.95 | Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue. Dalton transactions (Cambridge, England : 2003), 2012, 41, 8354-8360 |
7021582 | CIF | C24 H16 N2 | C 1 m 1 | 8.6722; 24.417; 3.9321 90; 103.73; 90 | 808.8 | Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies. Dalton transactions (Cambridge, England : 2003), 2013, 42, 10388-10393 |
7029889 | CIF | C16 H24 Ag3 Mo12 N8 O42 P | C 1 m 1 | 12.973; 19.165; 9.998 90; 101.712; 90 | 2434 | Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds. Dalton transactions (Cambridge, England : 2003), 2014, 43, 8405-8413 |
7030761 | CIF | Cs2 H2 Hg3 I8 O | C 1 m 1 | 7.43; 21.644; 7.671 90; 107.962; 90 | 1173.5 | Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system. Dalton transactions (Cambridge, England : 2003), 2014, 43, 8899-8904 |
7031600 | CIF | C61 H106 Br3 Cl15 P6 Pt3 | C 1 m 1 | 16.482; 29.135; 10.874 90; 112.156; 90 | 4836 | Chakraborty, Sourav; Mondal, Snehasish; Bhowmick, Sourav; Ma, Jianqiu; Tan, Hongwei; Neogi, Subhadip; Das, Neeladri Triptycene based organometallic complexes: a new class of acceptor synthons for supramolecular ensembles. Dalton transactions (Cambridge, England : 2003), 2014, 43, 13270-13277 |
7033828 | CIF | C21 H12 Cu3 N3 O15 P3 | C 1 m 1 | 25.618; 17.04; 4.4322 90; 99.96; 90 | 1905.6 | Hermer, N.; Stock, N. The new triazine-based porous copper phosphonate [Cu3(PPT)(H2O)3]·10H2O. Dalton transactions (Cambridge, England : 2003), 2015, 44, 3720-3723 |
7040248 | CIF | C32 H23 Cl2 N2 Ni P S4 Sn | C 1 m 1 | 7.8975; 17.3839; 12.3904 90; 107.098; 90 | 1625.89 | Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14252-14264 |
7044059 | CIF | B3 Cd5 Cl O9 | C 1 m 1 | 8.172; 16.061; 3.4741 90; 99.294; 90 | 450 | Song, YunXia; Luo, Min; Liang, Fei; Lin, Chensheng; Ye, Ning; Yan, Guiyang; Lin, Zheshuai Experimental and ab Initio Studies of Cd5(BO3)3Cl: the First Cadmium Borate Chlorine with isolated BO3 groups Dalton Trans., 2017 |
7046067 | CIF | C12 H30 Cl F3 N3 Sc Sn | C 1 m 1 | 11.8495; 9.2438; 10.9099 90; 118.852; 90 | 1046.67 | Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride. Dalton transactions (Cambridge, England : 2003), 2018, 47, 6059-6068 |
7048124 | CIF | C37 H44 Ag2 B0 F3 N18 O6 S | C 1 m 1 | 12.2382; 27.6761; 7.7791 90; 113.565; 90 | 2415.1 | Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F. Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand. Dalton transactions (Cambridge, England : 2003), 2018, 47, 17109-17121 |
7049962 | CIF | C21 H19 Co3 N O14 | C 1 m 1 | 18.3; 14.35; 6.661 90; 99.09; 90 | 1727 | Ding, Tao; Zhang, Sheng; Zhang, Weiqiang; Zhang, Guofang; Gao, Zi-Wei Highly selective C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> capture and magnetic properties of a robust Co-chain based metal-organic framework. Dalton transactions (Cambridge, England : 2003), 2019, 48, 7938-7945 |
7051453 | CIF | C10 H19 Cl F6 N P Ru S4 | C 1 m 1 | 12.264; 9.189; 8.822 90; 96.02; 90 | 989 | Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B. Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands New Journal of Chemistry, 1999, 23, 1015-1025 |
7053002 | CIF | C30 H36 Ba O14 Zn2 | C 1 m 1 | 18.14; 31.2496; 6.8627 90; 106.35; 90 | 3732.9 | Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands New Journal of Chemistry, 2013, 37, 380 |
7053369 | CIF | C36 H39.4 Cu N10 O15.7 | C 1 m 1 | 13.3131; 21.518; 8.2174 90; 122.982; 90 | 1974.7 | Adarsh, N. N.; Tocher, Derek A.; Ribas, Joan; Dastidar, Parthasarathi Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization New Journal of Chemistry, 2010, 34, 2458 |
7054438 | CIF | B3 Cd4 O10 Yb | C 1 m 1 | 7.938; 15.794; 3.4414 90; 99.992; 90 | 424.9 | Zou, Guohong; Huang, Ling; Cai, Huaqiang; Wang, Shichao; Ye, Ning Synthesis and characterization of Cd4YbO(BO3)3‒ a congruent melting cadmium‒ytterbium oxyborate with large nonlinear optical properties New J. Chem., 2014, 38, 6186 |
7055225 | CIF | B3 Cd4 Nd O10 | C 1 m 1 | 8.0536; 15.872; 3.5364 90; 100.268; 90 | 444.81 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
7062675 | CIF | C53 H40 N2 O2 P2 Ru | C 1 m 1 | 18.2738; 15.3551; 9.8021 90; 120.739; 90 | 2364 | Das, Akash; Mandal, Subrata; Mukherjee, Rimi; Naskar, Rahul; Murmu, Nabendu; Mondal, Tapan K. Synthesis of Ru(ii) cyclometallated complexes via C(aryl)–S bond activation: X-ray structure, DNA/BSA protein binding and antiproliferative activity New Journal of Chemistry, 2023, 47, 17359-17372 |
7105794 | CIF | C76 H88 Mn N4 Na O3 | C 1 m 1 | 16.0055; 24.312; 11.5994 90; 128.714; 90 | 3521.9 | Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides Chem.Commun., 2011, 47, 406 |
7108168 | CIF | C29 H52 Cl6 P2 Pt | C 1 m 1 | 8.959; 17.604; 11.96 90; 110.056; 90 | 1771.9 | Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation Chem.Commun., 2012, 48, 8350-8352 |
7111164 | CIF | C27 H63 N6 O P Si Sn8 | C 1 m 1 | 13.453; 15.28; 12.736 90; 116; 90 | 2353.1 | Mosquera, Marta E. G.; Hopkins, Alexander D.; Raithby, Paul R.; Rothenberger, Alexander; Woods, Anthony D.; Wright, Dominic S.; Steiner, Alexander Synthesis and structure of [{Sn4(NBut)3P}{Sn4(NBut)3(OSiMe3)}]; a low-oxidation state p-block metal complex containing a P3− anion Chemical Communications, 2001, 327 |
7111674 | CIF | C106 H83 F12 N19 O13 Pd2 S4 | C 1 m 1 | 27.6097; 15.0085; 14.2322 90; 107.657; 90 | 5619.7 | Liao, Puhong; Langloss, Brian W.; Johnson, Amber M.; Knudsen, Eric R.; Tham, Fook S.; Julian, Ryan R.; Hooley, Richard J. Two-component control of guest binding in a self-assembled cage molecule Chemical Communications, 2010, 46, 4932-4934 |
7114349 | CIF | C38 H58 F3 N5 O3 | C 1 m 1 | 12.6; 16.723; 10.635 90; 120.276; 90 | 1935.26 | Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Suwinska, Kinga; Eichen, Yoav The role of template in the synthesis of meso-hexamethyl- meso-hexaphenyl-calix[6]pyrrole: trihalogenated compounds as templates for the assembly of a host with a trigonal cavityElectronic supplementary data (ESI) available: Figs. 1 and 2 showing atom numbering. See http://www.rsc.org/suppdata/cc/b1/b106162n/ Chemical Communications, 2002, 404 |
7116528 | CIF | C16 H111 Cu4 Dy2 K2 N16 O101.5 Si2 W22 | C 1 m 1 | 20.5847; 13.4613; 22.9069 90; 101.973; 90 | 6209.3 | Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions Chem.Commun., 2015, 51, 3336 |
7117772 | CIF | C16 H21 Br Co N O4 | C 1 m 1 | 8.2934; 13.814; 7.8377 90; 92.388; 90 | 897.1 | Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers Chem.Commun., 2015, 51, 14334 |
7117773 | CIF | C16 H21 Cl Co N O4 | C 1 m 1 | 8.1891; 13.7998; 7.73787 90; 91.89; 90 | 873.97 | Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers Chem.Commun., 2015, 51, 14334 |
7121125 | CIF | C K3 O8 V | C 1 m 1 | 9; 9.297; 5.601 90; 122.89; 90 | 394 | Song, Yunxia; Luo, Min; Liang, Fei; Ye, Ning; Lin, Zheshuai The second-harmonic generation intensification derived from localization conjugated π-orbitals in O<sub>2</sub><sup>2</sup>. Chemical communications (Cambridge, England), 2018, 54, 1445-1448 |
7121334 | CIF | C7 H4 Br N | C 1 m 1 | 9.531; 8.5593; 4.1352 90; 90.295; 90 | 337.34 | Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J. Hand-twistable plastically deformable crystals of a rigid small organic molecule. Chemical communications (Cambridge, England), 2018, 54, 2994-2997 |
7121335 | CIF | C7 H4 Br N | C 1 m 1 | 9.509; 8.535; 4.127 90; 90.311; 90 | 334.9 | Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J. Hand-twistable plastically deformable crystals of a rigid small organic molecule. Chemical communications (Cambridge, England), 2018, 54, 2994-2997 |
7126891 | CIF | C97 H150 Co4 F8 N14 O6 P4 S2 | C 1 m 1 | 22.62; 21.11; 12.65 90; 115.833; 90 | 5436.8 | Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation. Chemical communications (Cambridge, England), 2020, 56, 9675-9678 |
7127638 | CIF | Ag3 Ga8 K Se14 | C 1 m 1 | 12.8805; 11.6857; 9.66 90; 115.998; 90 | 1306.87 | Li, Jia-Nuo; Yao, Wen-Dong; Li, Xiao-Hui; Liu, Wenlong; Xue, Huai-Guo; Guo, Sheng-Ping A novel promising infrared nonlinear optical selenide KAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> designed from benchmark AgGaQ<sub>2</sub> (Q = S, Se). Chemical communications (Cambridge, England), 2021, 57, 1109-1112 |
7157816 | CIF | C7 H4 Br N | C 1 m 1 | 9.4437; 8.5227; 4.0482 90; 91.2214; 90 | 325.749 | Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru <i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. Organic & biomolecular chemistry, 2021, 19, 446-456 |
7159755 | CIF | C5 H5 O2 | C 1 m 1 | 6.3968; 15.9612; 4.3338 90; 100.453; 90 | 435.14 | Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents. Organic & biomolecular chemistry, 2024, 22, 1038-1046 |
7204401 | CIF | C18 H24 Cl6 N O Sb | C 1 m 1 | 12.502; 10.516; 9.852 90; 109.46; 90 | 1221.3 | Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K. Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure Journal of the Chemical Society, Perkin Transactions 2, 2002, 1468 |
7205234 | CIF | C30 H26 Co2 N2 O12 | C 1 m 1 | 13.5405; 21.5306; 13.5016 90; 105.778; 90 | 3787.89 | Karmakar, Anirban; Goldberg, Israel Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals CrystEngComm, 2011, 13, 350 |
7208618 | CIF | B3 Cd4 Gd O10 | C 1 m 1 | 7.992; 15.777; 3.494 90; 100.22; 90 | 433.6 | Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses Journal of Materials Chemistry, 2012, 22, 19911 |
7208619 | CIF | B3 Cd4 Lu O10 | C 1 m 1 | 7.937; 15.778; 3.436 90; 99.972; 90 | 423.8 | Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses Journal of Materials Chemistry, 2012, 22, 19911 |
7208620 | CIF | B3 Cd4 O10 Y | C 1 m 1 | 7.9627; 15.793; 3.4706 90; 100.088; 90 | 429.7 | Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses Journal of Materials Chemistry, 2012, 22, 19911 |
7209446 | CIF | B3 Ca4 Gd O10 | C 1 m 1 | 8.078; 15.981; 3.5519 90; 101.26; 90 | 449.705 | Kahn-Harari, A.; Aka, G.; Mougel, F.; Pelenc, D. Structural and thermal stability of Czochralski grown Gd C O B oxoborate single crystals Journal of Materials Chemistry, 1998, 8, 1619-1623 |
7209474 | CIF | B O7 P Zn3 | C 1 m 1 | 9.725; 12.72; 4.874 90; 119.8; 90 | 523.196 | Park, C.-H.; Bluhm, K. Die Synthese und Kristallstruktur des Borat-Phosphats: alpha - Zn3 (B O3) (P O4) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1997, 52, 102-106 |
7209604 | CIF | B3 Cd5 F O9 | C 1 m 1 | 8.057; 15.966; 3.447 90; 100.06; 90 | 436.6 | Zou, Guohong; Zhang, Liyuan; Ye, Ning Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F CrystEngComm, 2013, 15, 2422 |
7209847 | CIF | B3 Ca4 O10 Pr | C 1 m 1 | 8.1772; 16.157; 3.6286 90; 101.399; 90 | 469.95 | Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3 CrystEngComm, 2013, 15, 5226 |
7210632 | CIF | C22 H39 La O21 P4 | C 1 m 1 | 9.2113; 26.5836; 6.8556 90; 96.74; 90 | 1667.13 | Białek, Michał J.; Janczak, Jan; Zoń, Jerzy Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids CrystEngComm, 2013, 15, 390 |
7214380 | CIF | B3 Ca4.01 O10 Tb0.99 | C 1 m 1 | 8.0715; 16; 3.5454 90; 101.255; 90 | 449.06 | Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal CrystEngComm, 2014, 16, 4008 |
7214789 | CIF | C27 H41 Cl2 Cu N3 O6 | C 1 m 1 | 11.1998; 17.0668; 8.4726 90; 102.461; 90 | 1581.3 | Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests CrystEngComm, 2012, 14, 7493 |
7216216 | CIF | B3 Ca4 O10 Tm | C 1 m 1 | 8.0679; 16.014; 3.5224 90; 101.112; 90 | 446.56 | Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals CrystEngComm, 2014, 16, 7141 |
7216660 | CIF | C22 H14 F4 I2 N6 | C 1 m 1 | 10.0009; 28.964; 4.1036 90; 100.997; 90 | 1166.8 | Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions CrystEngComm, 2014, 16, 7218 |
7219085 | CIF | C23 H34 Mg2 N3 O14 S2 | C 1 m 1 | 12.9363; 15.858; 9.0474 90; 120.978; 90 | 1591.3 | Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying Solvent-assisted construction of diverse Mg-TDC coordination polymers CrystEngComm, 2015, 17, 1348 |
7221233 | CIF | H10 Mo3 N2 O S13 | C 1 m 1 | 11.577; 16.448; 5.716 90; 117.3; 90 | 967.2 | Mueller, A.; Pohl, S.; Kirchner, R.M.; Cohen, J.P.; Dartmann, M.; Bennett, M.J. Crystal structure of (N H4)2 M O S (S2)6 containing the novel isolated cluster (Mo3 S13)2- Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1979, 34, 434-436 |
7224505 | CIF | C24 H32 Co N2 O8 | C 1 m 1 | 9.7472; 22.777; 7.0903 90; 131.453; 90 | 1179.8 | Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms CrystEngComm, 2016, 18, 2425 |
7225837 | CIF | B6 Ca8 La0.18 O20 Y1.81 | C 1 m 1 | 8.0806; 16.0141; 3.5431 90; 101.206; 90 | 449.75 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
7225838 | CIF | B3 Ca4.03 La0.11 O10 Y0.86 | C 1 m 1 | 8.1214; 16.1024; 3.5623 90; 101.211; 90 | 456.97 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
7226403 | CIF | C12 H28 Cd Cl4 N2 | C 1 m 1 | 17.874; 27.273; 11.528 90; 105.453; 90 | 5416 | Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin A perovskite-type cage compound as a temperature-triggered dielectric switchable material CrystEngComm, 2016, 18, 7671 |
7228504 | CIF | H15 O10.5 S | C 1 m 1 | 6.287; 26.876; 5.936 90; 112.26; 90 | 928.3 | Mootz, Dietrich; Merschenz-Quack, Angelika On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O Zeitschrift fur Naturforschung B, 1987, 42, 1231-1236 |
7230189 | CIF | C41 H35 Cl7 N2 O6 | C 1 m 1 | 10.245; 25.069; 8.5267 90; 104.29; 90 | 2122.2 | Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea Poly-histidine grafting leading to fishbone-like architectures RSC Advances, 2018, 8, 8638 |
7231447 | CIF | C19 H19 N4 O Si | C 1 m 1 | 9.6565; 17.991; 5.8635 90; 113.819; 90 | 931.9 | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals. Physical chemistry chemical physics : PCCP, 2018, 20, 22902-22908 |
7231449 | CIF | C18 H11 N4 O | C 1 m 1 | 11.27; 16.9544; 3.7589 90; 96.64; 90 | 713.42 | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals. Physical chemistry chemical physics : PCCP, 2018, 20, 22902-22908 |
7231684 | CIF | C17 H30 Ag5 I6 N5 O | C 1 m 1 | 21.078; 21.543; 7.9092 90; 107.59; 90 | 3423.5 | Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing New photoluminescent iodoargentates with bisimidazole derivatives as countercations RSC Advances, 2018, 8, 36150 |
7231691 | CIF | C12 H13 I2 N3 S2 | C 1 m 1 | 16.8767; 33.8581; 4.4165 90; 91.65; 90 | 2522.6 | Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand RSC Advances, 2018, 8, 36223 |
7240511 | CIF | O5 Pb1.5 Sb5 Se8 Sr4 | C 1 m 1 | 18.8403; 4.2335; 15.3364 90; 95.068; 90 | 1218.46 | Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response CrystEngComm, 2020 |
7242571 | CIF | C32 H46 Cu2 Ge N12 O48 W12 | C 1 m 1 | 12.5419; 22.4521; 11.6246 90; 109.951; 90 | 3076.9 | Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes Green Chemistry, 2021, 23, 3104-3114 |
7243483 | CIF | B3 Ca4 Ho O10 | C 1 m 1 | 8.09; 16.018; 3.5317 90; 101.284; 90 | 448.8 | Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal CrystEngComm, 2021, 23, 6574-6581 |
7244568 | CIF | B3 Cd4 O10 Sm | C 1 m 1 | 7.9798; 15.7654; 3.5051 90; 100.208; 90 | 433.98 | Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022 |
7244569 | CIF | B3 Cd4 O10 Tb | C 1 m 1 | 7.9549; 15.7709; 3.4813 90; 100.227; 90 | 429.81 | Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022 |
7244570 | CIF | B3 Cd4 Eu O10 | C 1 m 1 | 7.9673; 15.7619; 3.4932 90; 100.186; 90 | 431.76 | Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022 |
7245605 | CIF | C4 H4 O5 | C 1 m 1 | 8.69237; 6.06857; 5.58397 90; 120.797; 90 | 253.02 | Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids Physical Chemistry Chemical Physics, 2022 |
7247460 | CIF | C21 H23 Mn2 N9 O11 | C 1 m 1 | 12.318; 12.9645; 9.0482 90; 107.377; 90 | 1379 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
7700286 | CIF | Cd Cl2 Cs2 O6 V2 | C 1 m 1 | 5.5761; 18.331; 5.357 90; 90.404; 90 | 547.55 | Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv Cs<sub>2</sub>CdV<sub>2</sub>O<sub>6</sub>Cl<sub>2</sub> and Cs<sub>3</sub>CdV<sub>4</sub>O<sub>12</sub>Br: two new non-centrosymmetric oxyhalides containing d<sup>0</sup> and d<sup>10</sup> cations and exhibiting second harmonic generation activity. Dalton transactions (Cambridge, England : 2003), 2019, 48, 10642-10651 |
7705796 | CIF | C6 H16 F7 N9 O5 Ti Zn3 | C 1 m 1 | 11.2025; 10.8541; 8.8565 90; 115.758; 90 | 969.89 | Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M. Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH). Dalton transactions (Cambridge, England : 2003), 2020, 49, 17758-17771 |
7705797 | CIF | C6 F7 N9 O2 Ti Zn3 | C 1 m 1 | 11.2482; 10.725; 8.801 90; 114.673; 90 | 964.8 | Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M. Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH). Dalton transactions (Cambridge, England : 2003), 2020, 49, 17758-17771 |
7705798 | CIF | C6 H6 F7 N9 Ti Zn3 | C 1 m 1 | 11.199; 10.6391; 7.3676 90; 102.466; 90 | 857.13 | Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M. Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH). Dalton transactions (Cambridge, England : 2003), 2020, 49, 17758-17771 |
7706537 | CIF | C40 H108 Ge6 Se10 Si12 | C 1 m 1 | 17.9129; 20.5298; 13.922 90; 100.402; 90 | 5035.6 | Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features. Dalton transactions (Cambridge, England : 2003), 2021, 50, 2663-2670 |
7710805 | CIF | Ag3 Ga8 Rb Se14 | C 1 m 1 | 12.9155; 11.7376; 9.6693 90; 116.367; 90 | 1313.34 | Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong AAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe<sub>4</sub> and GaSe<sub>4</sub> tetrahedrons. Dalton transactions (Cambridge, England : 2003), 2022, 51, 11048-11053 |
7710806 | CIF | Ag3 Cs Ga8 Se14 | C 1 m 1 | 12.9694; 11.7931; 9.7011 90; 116.805; 90 | 1324.34 | Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong AAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe<sub>4</sub> and GaSe<sub>4</sub> tetrahedrons. Dalton transactions (Cambridge, England : 2003), 2022, 51, 11048-11053 |
7715159 | CIF | C106 H128 Al2 B N5 O5 | C 1 m 1 | 14.8161; 21.5593; 14.4379 90; 92.943; 90 | 4605.7 | Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L. Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide. Dalton transactions (Cambridge, England : 2003), 2024, 53, 4643-4651 |
8103863 | CIF | H4 O28 P4 Tl2 U5 | C 1 m 1 | 12.9798; 15.1639; 9.3384 90; 132.31; 90 | 1359.24 | Locock, A.J.; Burns, P.C. Revised Tl(I)-O bond valence parameters and the structures of thallous dichromae and thallous uranyl phosphate hydrate Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 259-266 |
8104504 | CIF | H4 Mg3 O9 Si2 | C 1 m 1 | 5.301; 9.186; 7.281 90; 90; 90 | 354.548 | Krstanovic, I. Crystal structure of single-layer lizardite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1968, 126, 163-169 |
8105040 | CIF | C28 H26 Br4 O S Sn | C 1 m 1 | 8.4055; 26.9988; 6.4207 90; 98.164; 90 | 1442.34 | Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T. Crystal structure of (dibenzyl sulphoxide-κO)dibromido-bis(4-bromobenzyl-κC)tin(IV), C28H26Br4OSSn Zeitschrift für Kristallographie - New Crystal Structures, 2019, 235, 139-141 |
8107565 | CIF | C11 H10 N2 O3 S | C 1 m 1 | 10.8483; 9.3377; 5.4086 90; 95.398; 90 | 545.45 | Wang, Qinglong; Hou, Xuehui Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 797-798 |
9000021 | CIF | Al F H K Mg3 O11 Si3 | C 1 m 1 | 5.32; 9.21; 10.16 90; 100.03; 90 | 490.203 | Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements Note: Biotite group American Mineralogist, 1939, 24, 729-771 |
9000150 | CIF | Al1.602 Ca H11.333 O16.002 Si4.398 | C 1 m 1 | 17.73; 17.82; 7.43 90; 116.33; 90 | 2103.96 | Merkle, A. B.; Slaughter, M. The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O American Mineralogist, 1967, 52, 273-276 |
9000175 | CIF | Al4.8 Ca1.2 H28 O45.55 Si13.2 | C 1 m 1 | 17.73; 17.82; 7.43 90; 116.33; 90 | 2103.96 | Merkle, A. B.; Slaughter, M. Determination and refinement of the structure of heulandite American Mineralogist, 1968, 53, 1120-1138 |
9001618 | CIF | Al4.446 O44.08 Pb2 Si13.554 | C 1 m 1 | 17.767; 17.917; 7.432 90; 116.33; 90 | 2120.39 | Gunter, M. E.; Armbruster, T.; Kohler, T.; Knowles, C. R. Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: Pb-exchanged Atomic parameters from ICSD American Mineralogist, 1994, 79, 675-682 |
9001717 | CIF | Mg3 O9 Si2 | C 1 m 1 | 5.323; 9.214; 21.381 90; 90; 90 | 1048.66 | Banfield, J. F.; Bailey, S. W. Formation of regularly interstatified serpentine-chlorite minerals by tetrahedral inversion in long-period serpentine polytypes American Mineralogist, 1996, 81, 79-91 |
9002902 | CIF | Al4.5 H34 O48.88 Si13.5 Sr2.116 | C 1 m 1 | 17.714; 18; 7.43 90; 116.627; 90 | 2117.81 | Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: fully hydrated at room temperature American Mineralogist, 2003, 88, 527-533 |
9002903 | CIF | Al4.5 H34 O48.49 Si13.5 Sr2.094 | C 1 m 1 | 17.698; 17.97; 7.426 90; 116.653; 90 | 2110.76 | Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 100 deg C, measured at -170 deg C American Mineralogist, 2003, 88, 527-533 |
9002904 | CIF | Al4.5 H34 O45.29 Si13.5 Sr2.079 | C 1 m 1 | 17.643; 17.842; 7.418 90; 116.851; 90 | 2083.33 | Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 150 deg C, measured at -170 deg C American Mineralogist, 2003, 88, 527-533 |
9002905 | CIF | Al4.5 H38 O44.58 Si13.5 Sr2.678 | C 1 m 1 | 17.642; 17.775; 7.414 90; 116.897; 90 | 2073.42 | Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 200 deg C, measured at -170 deg C American Mineralogist, 2003, 88, 527-533 |
9002906 | CIF | Al4.5 H21.04 O44.3 Si13.5 Sr1.73 | C 1 m 1 | 17.6; 17.59; 7.408 90; 116.76; 90 | 2047.78 | Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 250 deg C, measured at -170 deg C American Mineralogist, 2003, 88, 527-533 |
9003563 | CIF | Ba H10 K2 Na2 O32 Si8 Ti4 | C 1 m 1 | 14.2446; 13.7884; 7.75 90; 116.709; 90 | 1359.76 | Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N. Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure American Mineralogist, 2004, 89, 1655-1666 |
9005202 | CIF | H13.2 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 | C 1 m 1 | 14.692; 14.164; 7.859 90; 117.87; 90 | 1445.74 | Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovsky, D. Y.; Nadezhina, T. N. Crystal structure and microtwinning of K-rich nenadkevichite Note: Wat4 y-coordinate changed to reproduce reported bond lengths European Journal of Mineralogy, 1994, 6, 503-509 |
9005610 | CIF | C3 H18 As6 Ca3.434 Mn9 Na2.566 O48 | C 1 m 1 | 11.253; 19.628; 8.932 90; 100.05; 90 | 1942.57 | Wildner, M.; Tillmanns, E.; Andrut, M.; Lorenz, J. Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship to mitridatite-group minerals and pararobertsite Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany European Journal of Mineralogy, 2003, 15, 555-564 |
9008366 | CIF | Ca27 O45 Si9 | C 1 m 1 | 33.083; 7.027; 18.499 90; 94.12; 90 | 4289.43 | Nishi, F.; Takeuchi, Y.; Maki, I. Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure Zeitschrift fur Kristallographie, 1985, 172, 297-314 |
9009296 | CIF | Al3 Ba H6 O14 P2 | C 1 m 1 | 12.225; 7.04; 7.055 90; 125.39; 90 | 494.992 | Radoslovich E W Refinement of gorceixite structure in Cm Neues Jahrbuch fur Mineralogie, Monatshefte, 1982, 1982, 446-464 |
9009561 | CIF | Ba0.14 Ca0.2 H19.34 K0.42 Na0.2 Nb1.2 O32.02 Si8 Sr0.64 Ti2.8 | C 1 m 1 | 14.49; 14.23; 7.881 90; 117.28; 90 | 1444.27 | Rosenberg K A; Rastsvetaeva R K; Pekov I V; Chukanov N V; Verin I A Crystal structure of Sr-rich tsepinite Doklady Akademii Nauk SSSR, 2003, 393, 784-787 |
9009985 | CIF | Fe2 H O9 Sb Si2 | C 1 m 1 | 5.225; 8.997; 7.78 90; 101.71; 90 | 358.121 | Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N. Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral Powder Diffraction, 1998, 13, 44-49 |
9009996 | CIF | As0.8 H2 Na2 O2 S13 Sb7.2 | C 1 m 1 | 9.911; 23.05; 7.097 90; 127.85; 90 | 1280.21 | Nakai, I.; Appleman, D. E. The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: the first sulfosalt mineral of sodium Chemistry Letters, 1981, 1981, 1327-1330 |
9011223 | CIF | As3 Fe3 H24 O26 Zn2 | C 1 m 1 | 11.415; 11.259; 8.661 90; 107.74; 90 | 1060.19 | Ginderow, D.; Cesbron, F. Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Note: anisoB's from ICSD Acta Crystallographica, Section B, 1981, 37, 1040-1043 |
9011742 | CIF | Al3 Ba H7 O14 P2 | C 1 m 1 | 12.225; 7.04; 7.055 90; 125.39; 90 | 494.992 | Radoslovich, E. W. Refinement of gorceixite structure in Cm Locality: New South Wales Neues Jahrbuch fur Mineralogie, Monatshefte, 1982, 1982, 446-464 |
9011871 | CIF | Bi Fe2 H O9 Si2 | C 1 m 1 | 5.21; 9.02; 7.74 90; 100.667; 90 | 357.45 | Zhukhlistov, A. P.; Zvyagin, B. B. Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Soviet Physics Crystallography, 1977, 22, 419-423 |
9011872 | CIF | Fe2 H O9 Sb Si2 | C 1 m 1 | 5.19; 8.99; 7.7 90; 100.67; 90 | 353.056 | Zhukhlistov, A. P.; Zvyagin, B. B. Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Note: z(O3) corrected Soviet Physics Crystallography, 1977, 22, 419-423 |
9011916 | CIF | Ba Fe2 H2 O10 Si2 Ti | C 1 m 1 | 10.6; 13.64; 12.47 90; 119.5; 90 | 1569.22 | Guan, Y. S.; Simonov, V. I.; Belov, N. V. The crystal structure of bafertisite BaFe2TiO[Si2O7](OH)2 Doklady Akademii Nauk SSSR, 1963, 149, 1416-1419 |
9012390 | CIF | Bi Pb Pd2 | C 1 m 1 | 7.171; 8.677; 5.575 90; 71.74; 90 | 329.424 | Mayer, H. W.; Bhatt, Y. C.; Schubert, K. Kristallstrukturen von Pd2PbBi und Pd4PbBi3 Journal of the Less-Common Metals, 1979, 66, 1-9 |
9012641 | CIF | Ba0.03 Fe0.4 H13.17 K1.63 Mn0.56 Na0.18 Nb0.34 O32.25 Si8 Ti3.4 | C 1 m 1 | 14.369; 13.906; 7.812 90; 117.09; 90 | 1389.71 | Rastsvetaeva, R. K.; Chukanov, N. V.; Pekov, I. V. Refined crystal structure of kuzmenkoite Crystallography Reports, 2000, 45, 759-761 |
9012643 | CIF | Al0.18 Ca0.01 Fe0.01 H10 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 | C 1 m 1 | 10.589; 10.217; 7.355 90; 92.91; 90 | 794.695 | Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Ekimenkova, I. A. Crystal structure of litvinskite: A new natural member of the lovozerite group Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia Crystallography Reports, 2001, 46, 190-193 |
9012748 | CIF | Ba0.08 Fe0.02 H11.94 K0.44 Na1.09 Nb1.8 O32.44 Si8 Sr0.2 Ti2.2 | C 1 m 1 | 14.604; 14.274; 7.933 90; 117.4; 90 | 1468.17 | Rastsvetaeva, R. K.; Organova, N. I.; Rozhdestvenskaya, I. V.; Shlyukova, Z. V.; Chukanov, N. V. Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group from Khibiny massif Locality: Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia Doklady Chemistry, 2000, 371, 52-56 |
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