Crystallography Open Database
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Searching journal of publication like 'Crystals'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1508472 | CIF | C7 H8 B Br3 F4 N2 | I 41/a :2 | 23.6138; 23.6138; 18.8371 90; 90; 90 | 10503.8 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508473 | CIF | C6 H3 Br3 N2 | P b c 21 | 7.1109; 7.8014; 15.6397 90; 90; 90 | 867.61 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508474 | CIF | C8 H8 Br3 F6 N2 P | P -1 | 8.2368; 13.4522; 13.6605 92.476; 100.965; 92.884 | 1481.96 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508475 | CIF | C7 H6 B Br3 F4 N2 | I 41/a :2 | 23.4674; 23.4674; 18.6531 90; 90; 90 | 10272.6 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508476 | CIF | C9 H6 Br3 F6 N3 O4 S2 | P -1 | 7.5438; 8.6311; 15.9716 75.02; 87.083; 66.58 | 920.25 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508477 | CIF | C8 H8 Br5 F6 N2 P | P -1 | 7.6729; 7.8858; 15.8383 90.001; 88.104; 62.169 | 846.88 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508478 | CIF | C8 H8 Br6 N2 | P -1 | 7.32; 11.5867; 18.1972 87.611; 81.121; 86.375 | 1521 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508479 | CIF | C15 H15 N O S | P n a 21 | 9.208; 14.0485; 10.3826 90; 90; 90 | 1343.08 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 1508480 | CIF | C13 H12 Cl N O S | P 1 21/c 1 | 10.6092; 10.8355; 11.1346 90; 98.643; 90 | 1265.45 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 1508481 | CIF | C13 H12 Cl N O S | P 1 21/c 1 | 10.3738; 10.8501; 11.8301 90; 98.615; 90 | 1316.53 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 1508482 | CIF | C14 H10 O S4 Se4 | P 1 21/n 1 | 5.2296; 11.006; 31.718 90; 93.903; 90 | 1821.4 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
| 1508483 | CIF | C17 H12.5 Cl0.5 F6 O P S4 Se4 | P -1 | 7.917; 10.582; 15.979 76.666; 89.916; 89.124 | 1302.4 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
| 1508484 | CIF | C40 H30 Cl2 F12 P2 S10 Se8 | P -1 | 12.666; 14.299; 16.289 85.39; 88.219; 79.788 | 2893.6 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
| 1508485 | CIF | C16 H13 F2 N3 O | C 1 2/c 1 | 17.6219; 10.8735; 15.3216 90; 102.864; 90 | 2862.11 | Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals, 2012, 2, 1108-1115 |
| 1508486 | CIF | C16 H13 F2 N3 S | P 1 21/c 1 | 14.339; 11.1478; 9.541 90; 107.007; 90 | 1458.4 | Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals, 2012, 2, 1108-1115 |
| 1508487 | CIF | Ce10 O Se14 | I 41/a c d :2 | 15.7896; 15.7896; 20.8659 90; 90; 90 | 5202.1 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
| 1508488 | CIF | La10 O Se14 | I 41/a c d :2 | 15.9204; 15.9204; 21.0648 90; 90; 90 | 5339.1 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
| 1508489 | CIF | Nd10 O Se14 | I 41/a c d :2 | 15.5983; 15.5983; 20.6291 90; 90; 90 | 5019.2 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
| 1508490 | CIF | O Pr10 Se14 | I 41/a c d :2 | 15.6874; 15.6874; 20.7342 90; 90; 90 | 5102.6 | Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals, 2012, 2, 1136-1145 |
| 1508491 | CIF | C12 H10 Au0.94 Cl1.88 N2 S6 | I -4 2 d | 7.3259; 7.3259; 67.5487 90; 90; 90 | 3625.26 | Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals, 2012, 2, 1283-1290 |
| 1508492 | CIF | C12 H10 Au0.94 Cl1.88 N2 S6 | I -4 2 d | 7.3066; 7.3066; 67.3719 90; 90; 90 | 3596.74 | Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals, 2012, 2, 1283-1290 |
| 1508493 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.6941; 10.7909; 8.6586 90; 102.184; 90 | 1433.33 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
| 1508494 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.5187; 10.9358; 8.8141 90; 101.245; 90 | 1467.12 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
| 1508495 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.1766; 11.2809; 8.9334 90; 98.726; 90 | 1511.7 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
| 1508496 | CIF | C3 H4 N2 O | P 21 21 21 | 5.1024; 8.2922; 9.3064 90; 90; 90 | 393.75 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1508497 | CIF | C3 H5 Cl N2 O | P 1 21/n 1 | 4.2693; 10.7541; 10.9756 90; 93.535; 90 | 502.96 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1508498 | CIF | C3 H5 Br N2 O | P 1 21/n 1 | 4.4182; 11.0416; 11.2015 90; 94.081; 90 | 545.07 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1508499 | CIF | C6 H10 N4 O6 S | P -1 | 6.5611; 7.7322; 12.1134 97.82; 91.912; 113.295 | 556.62 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1508500 | CIF | C3 H5 N3 O4 | C 1 c 1 | 3.6216; 17.385; 9.0259 90; 90.499; 90 | 568.26 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1508501 | CIF | C3 H10 Bi O11 S3 | P 1 21/c 1 | 11.601; 10.39; 10.498 90; 115.15; 90 | 1145.4 | Gschwind, Fabienne; Jansen, Martin An Unusual Bismuth Ethanedisulfonate Network Crystals, 2012, 2, 1374-1381 |
| 1513836 | CIF | C22 H37 N20 O41 W10 | P 1 21/c 1 | 14.477; 10.8678; 21.627 90; 122.78; 90 | 2860.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1513837 | CIF | C14 H22 N8 O25 W6 | C 1 2/c 1 | 16.81; 13.0514; 15.675 90; 109.73; 90 | 3237.1 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1513838 | CIF | C21 H45 N12 O46.5 W10 | P -1 | 13.4905; 15.1707; 17.0692 79.594; 89.386; 70.001 | 3223.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1518356 | CIF | C2 H13 Co N4 O9 | P 1 21/n 1 | 7.8532; 10; 13.192 90; 105.06; 90 | 1000.4 | Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate Crystals, 2014, 4, 490 |
| 1520321 | CIF | B Ga O3 | R -3 c :H | 4.5659; 4.5659; 14.1764 90; 90; 120 | 255.947 | Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3 Crystals, 2015, 5, 252 |
| 1529351 | CIF | C4 H48 K0.28 N16 Ni2 O4 Rb7.72 Si18 | C 1 2/c 1 | 30.669; 9.919; 19.894 90; 110.18; 90 | 5680 | Gärtner, Stefanie; Hamberger, Markus; Korber, Nikolaus The First Chelate-Free Crystal Structure of a Silicide Transition Metal Complex [K0.28Rb7.72Si9Ni(CO)2]2·16NH3 Crystals, 2015, 5, 275 |
| 1529352 | CIF | C20 H9 N3 O9 S4 | P 1 21/n 1 | 8.0275; 7.8676; 34.961 90; 90.106; 90 | 2208 | Salmerón-Valverde, Amparo; Bernès, Sylvain Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions Crystals, 2015, 5, 283 |
| 1529353 | CIF | C21 H11 N3 O9 S4 | P 1 21/n 1 | 19.078; 7.2068; 19.443 90; 117.833; 90 | 2364 | Salmerón-Valverde, Amparo; Bernès, Sylvain Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions Crystals, 2015, 5, 283 |
| 1540501 | CIF | As3 Ga Sr3 | P n m a | 12.757; 19.268; 6.503 90; 90; 90 | 1598.4 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540502 | CIF | Al As3 Ba3 | C m c e | 19.854; 6.8636; 13.2849 90; 90; 90 | 1810.3 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540503 | CIF | As3 Ba3 Ga | P n m a | 13.3589; 19.9788; 6.8008 90; 90; 90 | 1815.1 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540504 | CIF | Al Ba3 P3 | C m c e | 19.3572; 6.7433; 12.9707 90; 90; 90 | 1693.1 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540505 | CIF | Ga P3 Sr3 | C m c e | 18.787; 6.3867; 12.403 90; 90; 90 | 1488.2 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540506 | CIF | Al As3 Sr3 | C m c e | 19.149; 6.5652; 12.6871 90; 90; 90 | 1595 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540507 | CIF | C9 H16 O2 | P 1 21/c 1 | 10.6473; 5.2855; 17.0313 90; 106.099; 90 | 920.87 | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid Crystals, 2015, 5, 466 |
| 1540508 | CIF | C10 H18 O2 | P -1 | 4.1405; 15.2839; 17.7089 68.3291; 83.385; 85.0779 | 1033.39 | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid Crystals, 2015, 5, 466 |
| 1540509 | CIF | C24 H26 Ca N4 O14 S2 | P 21 21 2 | 16.355; 17.478; 5.4549 90; 90; 90 | 1559.3 | Tai, Xi-Shi; Wang, Xin Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate Crystals, 2015, 5, 458 |
| 1540633 | CIF | C26 H31 Br N2 O7 S | P 1 21/n 1 | 10.418; 14.7052; 17.8673 90; 99.129; 90 | 2702.6 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540634 | CIF | C26 H29 Br N2 O7 S | P -1 | 8.3812; 13.0305; 13.2656 64.054; 83.078; 86.643 | 1293.2 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540635 | CIF | C48 H54 Br2 N4 O10 S2 | P 1 21/n 1 | 15.9728; 14.008; 22.8933 90; 109.716; 90 | 4822 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540636 | CIF | C32 H34 Cu0 N4 O8 Zn | P 1 21 1 | 11.421; 9.2213; 15.188 90; 106.112; 90 | 1536.7 | Tai, Xi-Shi; You, Hai-Ying A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property Crystals, 2015, 5, 608 |
| 1543243 | CIF | C10 H13 N O2 | P 1 21/c 1 | 9.3613; 9.3135; 11.8981 90; 102.497; 90 | 1012.8 | Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds Crystals, 2016, 6, 37 |
| 1543244 | CIF | C10 H12 Br N O2 | P 1 21/c 1 | 10.4435; 9.209; 12.2744 90; 102.599; 90 | 1152.1 | Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds Crystals, 2016, 6, 37 |
| 1544035 | CIF | C20 H14 N4 O2 S2 | P 1 | 5.3047; 9.4281; 10.3733 73.857; 79.443; 83.488 | 488.84 | Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights Crystals, 2016, 6, 89 |
| 1546797 | CIF | C9 H11 O | P 21 21 21 | 6.768729; 8.96849; 23.39031 90; 90; 90 | 1419.92 | James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory Crystals, 2017, 7, 218 |
| 1548555 | CIF | C22 H27 N5 O5 Zn | P 1 21/c 1 | 10.73257; 23.2562; 9.76351 90; 105.393; 90 | 2349.55 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1548556 | CIF | C22 H27 Cd N5 O5 | P 1 21/c 1 | 10.8546; 23.6261; 9.6799 90; 104.14; 90 | 2407.22 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1548557 | CIF | C20 H22 N4 O4 Zn | P 21 21 21 | 15.123; 18.806; 20.722 90; 90; 90 | 5893 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1548558 | CIF | C21 H26 Cd N4 O5 | P -1 | 9.2444; 10.0116; 14.4659 107.371; 91.269; 116.622 | 1123.1 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1549467 | CIF | C2 H3 Na O2 | P c c a | 5.9482; 10.0866; 5.8984 90; 90; 90 | 353.89 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1549468 | CIF | C2 H3 Na O2 | P 4/n m m :2 | 4.156; 4.156; 10.053 90; 90; 90 | 173.64 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1549470 | CIF | H3 Na O8 Se2 V | C 1 2/c 1 | 18.5779; 7.5662; 12.5844 90; 111.612; 90 | 1644.6 | Stefano Canossa; Giovanni Predieri; Claudia Graiff Mild Synthesis and Structural Characterization of a Novel Vanadyl Selenite-Hydrogen Selenite Phase, Na[VO(SeO3)(HSeO3)].1,5H2O Crystals, 2018, 8, 215 |
| 1557475 | CIF | C16 H22 N2 O9 Rh2 | P 1 21/c 1 | 8.1042; 14.3559; 17.696 90; 103.077; 90 | 2005.4 | Arakawa, Kazuki; Yano, Natsumi; Imasaki, Nanako; Kohara, Yoshihiro; Yatsushiro, Daiki; Atarashi, Daiki; Handa, Makoto; Kataoka, Yusuke Coordination-Induced Self-Assembly of a Heteroleptic Paddlewheel-Type Dirhodium Complex Crystals, 2020, 10, 85 |
| 1558499 | CIF | Ca7.97 Fe0.56 Mg9.47 O48 P12 | C 1 2/c 1 | 22.7973; 9.9833; 17.0522 90; 99.954; 90 | 3822.53 | Britvin, Sergey N.; Krzhizhanovskaya, Maria G.; Bocharov, Vladimir N.; Obolonskaya, Edita V. Crystal Chemistry of Stanfieldite, Ca7M2Mg9(PO4)12 (M = Ca, Mg, Fe2+), a Structural Base of Ca3Mg3(PO4)4 Phosphors Crystals, 2020, 10, 464 |
| 1558500 | CIF | C36 H20 Br3.77 Cl8 Cu2 N4 | P -1 | 7.8673; 11.0031; 11.7131 82.325; 89.994; 81.179 | 992.76 | Finocchio, Giada; Rizzato, Silvia; Macetti, Giovanni; Tusha, Gers; Lo Presti, Leonardo Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case Crystals, 2020, 10, 477 |
| 1558501 | CIF | C18 H13.5 B Cu F4 N6 O0.75 | C 1 c 1 | 19.6546; 17.9133; 24.0581 90; 112.816; 90 | 7807.6 | Beveridge, Stuart; McAnally, Craig A.; Nichol, Gary S.; Kennedy, Alan R.; Cussen, Edmund J.; Fletcher, Ashleigh J. Unexpected Selective Gas Adsorption on a ‘Non-Porous’ Metal Organic Framework Crystals, 2020, 10, 548 |
| 1559469 | CIF | C8 H12 N2 O2 | P b c n | 15.072; 7.9873; 6.841 90; 90; 90 | 823.55 | Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894 |
| 1559470 | CIF | C8 H16 N2 O4 | P 1 21/c 1 | 7.959; 7.154; 17.799 90; 91.68; 90 | 1013 | Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894 |
| 1559471 | CIF | Bi6 Br7 | P n n m | 15.4996; 23.6435; 9.0231 90; 90; 90 | 3306.65 | Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N. Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective Crystals, 2020, 10, 940 |
| 1559472 | CIF | C19 H16 O6 | P 1 21/c 1 | 12.0654; 11.0666; 23.955 90; 101.376; 90 | 3135.7 | Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one Crystals, 2020, 10, 911 |
| 1560703 | CIF | C38 H32 Cl2 Ir N8 Pt | C 1 2/c 1 | 13.0437; 24.3865; 28.8657 90; 101.971; 90 | 8982.2 | Wu, Si-Hai; Ma, Dian-Xue; Gong, Zhong-Liang; Ma, Junjie; Shao, Jiang-Yang; Yang, Rong; Zhong, Yu-Wu Synthesis, Photophysical, and Computational Studies of a Bridged Ir^III^-Pt^II^ Heterodimetallic Complex Crystals, 2021, 11, 236 |
| 1563171 | CIF | C80 H92 Co5 N2 O48 | P -1 | 10.532; 13.2619; 18.1118 70.883; 74.056; 85.86 | 2297.9 | Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2 Crystals, 2021, 11, 574 |
| 1563172 | CIF | C82 H86 Co6 N2 O48 | P -1 | 11.2564; 15.9785; 16.5583 62.347; 73.527; 70.219 | 2453.6 | Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2 Crystals, 2021, 11, 574 |
| 1564146 | CIF | C49.8 H81.1 O15.75 | I 1 2 1 | 14.8197; 9.1753; 39.094 90; 94.49; 90 | 5299.5 | Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals, 2021, 11, 172 |
| 1564147 | CIF | C98.1 H151.2 O29 | P 21 21 21 | 16.7127; 24.5777; 24.5908 90; 90; 90 | 10100.9 | Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals, 2021, 11, 172 |
| 1564148 | CIF | C98.1 H152.2 O28.5 | P 21 21 21 | 16.7309; 24.5805; 24.5797 90; 90; 90 | 10108.5 | Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals, 2021, 11, 172 |
| 1566036 | CIF | Ca3 Cs2 O16 S4 | P 1 21/c 1 | 9.9153; 9.376; 9.8044 90; 118.365; 90 | 802.04 | Fang, Penglin; Tang, Wenyue; Shen, Yaoguo; Hong, Jinquan; Li, Yongming; Jia, Junrong Crystal Structure and Theoretical Analysis of Cs2Ca3(SO4)4 Crystals, 2022, 12, 126 |
| 1566037 | CIF | Ca7 Mg O16 Si4 | P n n m | 18.3434; 6.7313; 10.8844 90; 90; 90 | 1344 | Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite Crystals, 2020, 11, 14 |
| 1566038 | CIF | C56 H45 Cu F6 N2 O1.5 P3 | P -1 | 11.4728; 14.2115; 16.0992 92.018; 91.054; 112.546 | 2421.34 | Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline Crystals, 2021, 11, 185 |
| 1566039 | CIF | C44 H32 F9 O8 Pr | P 1 21/c 1 | 8.9307; 28.9448; 16.2421 90; 105.674; 90 | 4042.4 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1566040 | CIF | C62 H40 F9 N4 O6 Pr | P -1 | 11.9059; 15.3694; 16.5675 79.097; 70.308; 67.575 | 2632.08 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1566041 | CIF | C54 H36 F9 N2 O8 Pr | P 1 21/c 1 | 13.2021; 14.6509; 24.8108 90; 98.938; 90 | 4740.7 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1566042 | CIF | C54 H36 F9 N2 O6 Pr | P c a 21 | 20.1848; 11.9034; 19.6102 90; 90; 90 | 4711.7 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1566043 | CIF | C28 H20 Cl N O | P -1 | 6.9675; 7.6046; 20.706 83.02; 80.403; 83.126 | 1068.2 | Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect Crystals, 2021, 11, 530 |
| 1566044 | CIF | C30 H22 Cl7 N O | P -1 | 10.1961; 10.854; 14.091 84.387; 87.485; 84.125 | 1542.9 | Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect Crystals, 2021, 11, 530 |
| 1567430 | CIF | C8 H13 N O Si | P b c a | 11.6876; 24.898; 13.833 90; 90; 90 | 4025.4 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567431 | CIF | C8 H13 N S Si | P 1 21/m 1 | 6.6079; 7.2078; 11.1025 90; 97.954; 90 | 523.71 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567432 | CIF | C12 H14 N2 O2 Si | P 1 21/c 1 | 12.7881; 10.7211; 18.6634 90; 90.247; 90 | 2558.8 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567433 | CIF | C12 H14 N2 S2 Si | P -1 | 9.7145; 11.5896; 12.9509 73.601; 89.903; 85.998 | 1395.13 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567434 | CIF | C22 H18 N2 O2 Si | P 1 | 6.1626; 8.8822; 26.4639 88.692; 88.561; 81.453 | 1431.76 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567435 | CIF | C22 H18 N2 S2 Si | P -1 | 9.4763; 10.2415; 11.1044 96.698; 114.442; 90.107 | 972.92 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567436 | CIF | C22 H18 N2 S2 Si | P 1 21/n 1 | 12.3581; 12.704; 12.5693 90; 90.262; 90 | 1973.33 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567437 | CIF | C22 H18 N2 S2 Si | C 1 2/c 1 | 10.9877; 19.5766; 9.7361 90; 97.501; 90 | 2076.33 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567438 | CIF | C29 H26 N2 S2 Si | P -1 | 9.7034; 11.2023; 13.2853 73.607; 72.232; 82.511 | 1317.8 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567585 | CIF | C68 H48 Co N10 S2 | P 1 21/c 1 | 8.7148; 18.4121; 18.2547 90; 101.524; 90 | 2870.06 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567586 | CIF | C54 H50 Cl6 Co N10 S2 | P 1 21/n 1 | 8.3422; 16.5164; 19.9774 90; 100.072; 90 | 2710.13 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567587 | CIF | C73 H59 Cl9 Co N10 O2 S2 | P 1 21/c 1 | 14.7142; 9.842; 25.64 90; 94.944; 90 | 3699.3 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567588 | CIF | C52.8 H48.8 Cl2.4 Co N10 S2 | P 1 21/n 1 | 13.3183; 12.5045; 15.2418 90; 96.533; 90 | 2521.87 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567589 | CIF | C33 H24 N4 | C 1 2/c 1 | 34.855; 8.6116; 30.178 90; 146.585; 90 | 4988.3 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567735 | CIF | C2 H5 N O2 | P 31 | 6.9848; 6.9848; 5.4744 90; 90; 120 | 231.3 | Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy Crystals, 2022, 12, 1342 |
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