Crystallography Open Database
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Searching journal of publication like 'Crystals'
COD ID: 1508363 | |
CIF file | Formula: - C94 H88 N24 Ni6 O19 S2 - Comments: Zheng, Xiao-Feng; Zhu, Long-Guan An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O Crystals 1(3) (2011) 120-127 Space group: P b c n Cell volume: 11276.4 Cell parameters: 15.525; 22.703; 31.993; 90; 90; 90; |
COD ID: 1508364 | |
CIF file | Formula: - C11 H13 N7 - Comments: Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1] Crystals 1(3) (2011) 136-144 Space group: P 1 21/n 1 Cell volume: 1189.06 Cell parameters: 7.3326; 19.4897; 8.6586; 90; 106.069; 90; |
COD ID: 1508365 | |
CIF file | Formula: - C21 H24 N2 O5 - Comments: Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V. Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern Crystals 1(3) (2011) 163-170 Space group: P 21 21 21 Cell volume: 2008.3 Cell parameters: 5.0655; 8.4614; 46.856; 90; 90; 90; |
COD ID: 1508366 | |
CIF file | Formula: - C15 H12 N2 O2 S - Comments: Saeed, Aamer; ul Mahmood, Shams; Ishida, H. Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals 1(3) (2011) 171-177 Space group: P 1 21 1 Cell volume: 659.97 Cell parameters: 9.9349; 6.3377; 10.5783; 90; 97.752; 90; |
COD ID: 1508367 | |
CIF file | Formula: - C24 H32 I2 O8 - Comments: Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8) Crystals 1(4) (2011) 215-219 Space group: P -1 Cell volume: 671.1 Cell parameters: 4.8499; 12.037; 12.804; 64.561; 86.815; 83.893; |
COD ID: 1508369 | |
CIF file | Formula: - C22 H23 N O5 - Comments: Petrov, Anna; Jones, Roderick C.; Vaughan, Douglas G.; Lough, Alan J.; Gossage, Robert A. The Crystal and Molecular Structure of (2Z)-2-[3-(4-Methoxybenzoyl)-4,4-dimethyl-1,2-oxazolidin-2-ylidene]-1-(4-methoxyphenyl)ethanone Crystals 1(4) (2011) 229-235 Space group: P 1 21/c 1 Cell volume: 3883.5 Cell parameters: 20.941; 8.7523; 21.2291; 90; 93.529; 90; |
COD ID: 1508370 | |
CIF file | Formula: - C5 H19.47 N2 O5.24 P - Comments: Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O Crystals 1(4) (2011) 236-243 Space group: R -3 :H Cell volume: 5174.5 Cell parameters: 31.075; 31.075; 6.1875; 90; 90; 120; |
COD ID: 1508371 | |
CIF file | Formula: - C5 H17 N2 O4 P - Comments: Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O Crystals 1(4) (2011) 236-243 Space group: P 21 21 21 Cell volume: 953.6 Cell parameters: 8.564; 9.593; 11.607; 90; 90; 90; |
COD ID: 1508372 | |
CIF file | Formula: - C14 H9 F N2 O S - Comments: Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals 1(4) (2011) 254-259 Space group: P n a 21 Cell volume: 2471.2 Cell parameters: 22.43; 8.1478; 13.522; 90; 90; 90; |
COD ID: 1508373 | |
CIF file | Formula: - C8 H15 N11 O8 - Comments: Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T. Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3] Crystals 2(1) (2012) 34-42 Space group: P -1 Cell volume: 779.68 Cell parameters: 6.7224; 10.7473; 11.9604; 113.212; 90.579; 99.815; |
COD ID: 1508374 | |
CIF file | Formula: - C15 H28 N2 O4 - Comments: Mamat, Constantin; Flemming, Anke; Köckerling, Martin Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate Crystals 2(1) (2012) 90-95 Space group: P 1 21/c 1 Cell volume: 1727.71 Cell parameters: 8.4007; 16.4716; 12.4876; 90; 90.948; 90; |
COD ID: 1508375 | |
CIF file | Formula: - C19 H26 O8 S - Comments: Mamat, Constantin; Peppel, Tim; Köckerling, Martin The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose Crystals 2(1) (2012) 105-109 Space group: P 21 21 21 Cell volume: 2127.4 Cell parameters: 9.7945; 10.1945; 21.306; 90; 90; 90; |
COD ID: 1508376 | |
CIF file | Formula: - C10 H24 Cl5 Fe N2 O4 - Comments: Bäcker, Tobias; Mudring, Anja-Verena Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept Crystals 2(1) (2012) 110-117 Space group: P b c m Cell volume: 2069.2 Cell parameters: 6.2717; 12.841; 25.693; 90; 90; 90; |
COD ID: 1508377 | |
CIF file | Formula: - C6 H10 B F4 N5 O2 S - Comments: Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent Crystals 2(1) (2012) 118-126 Space group: F d d 2 Cell volume: 10038 Cell parameters: 24.375; 30.163; 13.653; 90; 90; 90; |
COD ID: 1508378 | |
CIF file | Formula: - C5 H7 N5 O2 S - Comments: Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent Crystals 2(1) (2012) 118-126 Space group: P 1 21/c 1 Cell volume: 859.12 Cell parameters: 8.0815; 10.0732; 10.7291; 90; 100.383; 90; |
COD ID: 1508379 | |
CIF file | Formula: - C15 H13 N3 O3 - Comments: Mamat, Constantin; Köckerling, Martin The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole Crystals 2(2) (2012) 176-181 Space group: P -1 Cell volume: 685.83 Cell parameters: 6.8994; 9.8052; 11.1525; 71.729; 79.436; 74.349; |
COD ID: 1508380 | |
CIF file | Formula: - C54 H44 N2 O6 P2 S2 - Comments: Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine Crystals 2(2) (2012) 182-192 Space group: P -1 Cell volume: 1159.9 Cell parameters: 9.859; 13.683; 9.664; 105.04; 93.651; 110.735; |
COD ID: 1508381 | |
CIF file | Formula: - C46 H42 N2 O9 S34 - Comments: Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine Crystals 2(2) (2012) 182-192 Space group: P -1 Cell volume: 1782.4 Cell parameters: 6.742; 15.518; 18.034; 74.29; 82.16; 80.36; |
COD ID: 1508382 | |
CIF file | Formula: - C20 H16 Br0.79 Cl1.21 Cu S16 - Comments: Kubo, Kazuya; Yamashita, Masahiro New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6 Crystals 2(2) (2012) 284-293 Space group: P 1 2/c 1 Cell volume: 1574.3 Cell parameters: 7.8124; 6.6564; 30.444; 90; 96.062; 90; |
COD ID: 1508383 | |
CIF file | Formula: - C35 H27 Cl2 N3 S12 Zn - Comments: Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies Crystals 2(2) (2012) 338-348 Space group: C 1 2/c 1 Cell volume: 4203.3 Cell parameters: 11.8152; 10.1; 35.579; 90; 98.111; 90; |
COD ID: 1508384 | |
CIF file | Formula: - C20 H20 B0.5 N O - Comments: Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C. Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor Crystals 2(2) (2012) 446-465 Space group: C 1 2/c 1 Cell volume: 3048 Cell parameters: 21.4373; 6.1623; 23.2775; 90; 97.597; 90; |
COD ID: 1508385 | |
CIF file | Formula: - C11 H14 O4 - Comments: Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis Crystals 2(2) (2012) 521-527 Space group: P -1 Cell volume: 1077.54 Cell parameters: 8.5518; 10.8826; 11.9939; 101.273; 98.287; 94.092; |
COD ID: 1508386 | |
CIF file | Formula: - C H8 Br N5 O3 - Comments: Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives Crystals 2(2) (2012) 675-689 Space group: P 1 21/c 1 Cell volume: 715.64 Cell parameters: 8.0261; 12.7412; 7.9296; 90; 118.051; 90; |
COD ID: 1508387 | |
CIF file | Formula: - Lu20 Ru11 - Comments: Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms Crystals 2(2) (2012) 704-709 Space group: R -3 :H Cell volume: 4056.1 Cell parameters: 12.5514; 12.5514; 29.73; 90; 90; 120; |
COD ID: 1508388 | |
CIF file | Formula: - C76 H56 Co2 K N20 O4 - Comments: Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals 2(3) (2012) 946-957 Space group: P 42/n :2 Cell volume: 3407.1 Cell parameters: 21.37; 21.37; 7.4607; 90; 90; 90; |
COD ID: 1508389 | |
CIF file | Formula: - C76 H56 Co2 N20 Na O4 - Comments: Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals 2(3) (2012) 946-957 Space group: P 42/n :2 Cell volume: 3320.5 Cell parameters: 21.163; 21.163; 7.414; 90; 90; 90; |
COD ID: 1508390 | |
CIF file | Formula: - C2 H4 Cu N8 O2 - Comments: Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II) Crystals 2(3) (2012) 958-966 Space group: P -1 Cell volume: 335.18 Cell parameters: 7.4137; 7.489; 7.5391; 118.928; 109.295; 92.47; |
COD ID: 1508391 | |
CIF file | Formula: - C18 H13 Cl N2 O4 - Comments: Khan, Imtiaz; White, Jonathan M. Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate Crystals 2(3) (2012) 967-973 Space group: P 21 21 21 Cell volume: 1621.2 Cell parameters: 6.6491; 7.9627; 30.621; 90; 90; 90; |
COD ID: 1508392 | |
CIF file | Formula: - C5 H19 N2 O13 P3 Zn3 - Comments: Harrison, William T.A.; Currie, William R. 1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O Crystals 2(3) (2012) 974-983 Space group: P 1 21/c 1 Cell volume: 1739.6 Cell parameters: 11.3275; 8.3235; 18.588; 90; 96.979; 90; |
COD ID: 1508393 | |
CIF file | Formula: - C18 H18 N4 O3 - Comments: Lοser, Reik; Nieger, Martin; Gυtschow, Michael Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate Crystals 2(3) (2012) 1201-1209 Space group: P 1 21 1 Cell volume: 830.88 Cell parameters: 9.8152; 9.6305; 9.8465; 90; 116.785; 90; |
COD ID: 1508394 | |
CIF file | Formula: - C26 H24 O5 - Comments: Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, Hemmige S.; Mayekar, Anil N.; Narayana, Badiadka Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate Crystals 2(3) (2012) 1239-1247 Space group: C 1 2/c 1 Cell volume: 4229.93 Cell parameters: 25.4114; 8.4744; 20.6921; 90; 108.328; 90; |
COD ID: 1508395 | |
CIF file | Formula: - C11 H10 N2 O3 - Comments: Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate Crystals 2(3) (2012) 1248-1252 Space group: P 1 21/c 1 Cell volume: 1018.5 Cell parameters: 9.5408; 9.5827; 11.58; 90; 105.838; 90; |
COD ID: 1508396 | |
CIF file | Formula: - C20 H44 B4 Cu2 F16 N8 O4 - Comments: Olguin, Juan; Bernes, Sylvain; Gasque, Laura Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template Crystals 2(3) (2012) 1357-1365 Space group: P -1 Cell volume: 1804.6 Cell parameters: 9.455; 12.0445; 16.493; 87.469; 83.061; 75.465; |
COD ID: 1508397 | |
CIF file | Formula: - C20 H44 B2 Cu2 F10 N8 O4 - Comments: Olguin, Juan; Bernes, Sylvain; Gasque, Laura Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template Crystals 2(3) (2012) 1357-1365 Space group: P 1 21/c 1 Cell volume: 1664.3 Cell parameters: 10.4816; 7.0223; 22.732; 90; 95.913; 90; |
COD ID: 1508398 | |
CIF file | Formula: - C5 H12 Br3 Cu2 N - Comments: Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W. (C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders Crystals 2(4) (2012) 1434-1440 Space group: P -1 Cell volume: 540.04 Cell parameters: 6.2948; 8.2624; 10.7612; 75.964; 89.232; 84.072; |
COD ID: 1508399 | |
CIF file | Formula: - C56 H102.5 O50.75 - Comments: Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals 2(4) (2012) 1441-1454 Space group: P 1 Cell volume: 3618.4 Cell parameters: 15.4039; 15.2813; 17.8904; 99.662; 113.423; 102.481; |
COD ID: 1508400 | |
CIF file | Formula: - C14 H14 O4 - Comments: Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals 2(4) (2012) 1441-1454 Space group: P 21 21 21 Cell volume: 3542.2 Cell parameters: 6.8921; 11.4302; 44.964; 90; 90; 90; |
COD ID: 1508401 | |
CIF file | Formula: - C23 H35 N O2 S - Comments: Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig Improved Synthesis and Crystal Structure of Dalcetrapib Crystals 2(4) (2012) 1455-1459 Space group: P 1 21/c 1 Cell volume: 2151.59 Cell parameters: 10.7572; 9.7154; 20.5873; 90; 90.003; 90; |
COD ID: 1508403 | |
CIF file | Formula: - C25 H17 Mo N5 O3 - Comments: Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals 1(2) (2012) 47-58 Space group: P 1 21/n 1 Cell volume: 2285.31 Cell parameters: 11.0965; 13.0586; 16.6135; 90; 108.324; 90; |
COD ID: 1508404 | |
CIF file | Formula: - C31 H21 Mo N5 O3 - Comments: Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals 1(2) (2012) 47-58 Space group: P 1 21/n 1 Cell volume: 2613.9 Cell parameters: 11.4788; 19.073; 11.9881; 90; 95.179; 90; |
COD ID: 1508405 | |
CIF file | Formula: - C24 H19 Mo N5 O3 - Comments: Budge, Matthew G.; Muir, Kathleen J.; McQuillan, Geoffrey P.; Harrison, William T.A. Short Intramolecular N-H...C(carbonyl) Interactions in Mixed-Ligand Molybdenum Hexacarbonyl Derivatives Crystals 1(2) (2012) 47-58 Space group: P 1 21/n 1 Cell volume: 2268.12 Cell parameters: 8.4222; 21.5966; 12.5011; 90; 94.065; 90; |
COD ID: 1508406 | |
CIF file | Formula: - C H2 Ba O5 P - Comments: Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A. Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4 Crystals 1(2) (2012) 59-68 Space group: C 1 2/c 1 Cell volume: 986.1 Cell parameters: 12.3829; 7.9124; 11.0858; 90; 114.788; 90; |
COD ID: 1508407 | |
CIF file | Formula: - C10 H18 Ba N2 O18 - Comments: Iveson, Samuel J.; Johnston, Chloe B.; Harrison, William T.A. Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2 Ba(H2O)2(HC2O4)4 Crystals 1(2) (2012) 59-68 Space group: C 1 2/m 1 Cell volume: 900.62 Cell parameters: 12.7393; 13.0111; 5.605; 90; 104.208; 90; |
COD ID: 1508408 | |
CIF file | Formula: - Ba Lu2 S4 - Comments: Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals 1(3) (2012) 78-86 Space group: P n m a Cell volume: 684.2 Cell parameters: 12.1143; 3.9556; 14.2781; 90; 90; 90; |
COD ID: 1508409 | |
CIF file | Formula: - Ba Lu2 Se4 - Comments: Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals 1(3) (2012) 78-86 Space group: P n m a Cell volume: 771.04 Cell parameters: 12.6132; 4.1089; 14.8774; 90; 90; 90; |
COD ID: 1508410 | |
CIF file | Formula: - Ba Lu2 Te4 - Comments: Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals 1(3) (2012) 78-86 Space group: P n m a Cell volume: 945.82 Cell parameters: 13.5358; 4.3847; 15.9362; 90; 90; 90; |
COD ID: 1508411 | |
CIF file | Formula: - As7 Cs2 Na - Comments: Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals 1(3) (2012) 87-98 Space group: P 1 21/c 1 Cell volume: 1304.1 Cell parameters: 11.7671; 10.8528; 10.2115; 90; 90.213; 90; |
COD ID: 1508412 | |
CIF file | Formula: - As14 Cd Cs4 - Comments: Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals 1(3) (2012) 87-98 Space group: P 1 21/c 1 Cell volume: 2552.5 Cell parameters: 10.608; 16.761; 14.363; 90; 91.785; 90; |
COD ID: 1508413 | |
CIF file | Formula: - As14 Cs4 Zn - Comments: Hua, He; Chauntae, Tyson; Svilen, Bobev New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14 Crystals 1(3) (2012) 87-98 Space group: P 1 21/c 1 Cell volume: 10309.9 Cell parameters: 29.067; 10.4714; 43.039; 90; 128.092; 90; |
COD ID: 1508414 | |
CIF file | Formula: - Cl6 Mo Na3 - Comments: Beran, Martin; Meyer, Gerd Crystal Structure of Na3MoCl6 Crystals 1(3) (2012) 99-103 Space group: P -3 1 c Cell volume: 501 Cell parameters: 6.8712; 6.8712; 12.2531; 90; 90; 120; |
COD ID: 1508415 | |
CIF file | Formula: - Ba Sn3 - Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals 1(3) (2012) 104-111 Space group: P 63/m m c Cell volume: 247.44 Cell parameters: 7.2279; 7.2279; 5.469; 90; 90; 120; |
COD ID: 1508416 | |
CIF file | Formula: - Ba In0.2 Sn2.8 - Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals 1(3) (2012) 104-111 Space group: P 63/m m c Cell volume: 245.69 Cell parameters: 7.2604; 7.2604; 5.382; 90; 90; 120; |
COD ID: 1508417 | |
CIF file | Formula: - Ba Ga1.79 Sn4.21 - Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals 1(3) (2012) 145-162 Space group: C m c m Cell volume: 799.06 Cell parameters: 4.5383; 12.2486; 14.3747; 90; 90; 90; |
COD ID: 1508418 | |
CIF file | Formula: - Ba8 Ga14.5 Sn31.5 - Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals 1(3) (2012) 145-162 Space group: P m -3 n Cell volume: 1593.4 Cell parameters: 11.68; 11.68; 11.68; 90; 90; 90; |
COD ID: 1508419 | |
CIF file | Formula: - Ba8 Ga13.2 Sn32.8 - Comments: Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals 1(3) (2012) 145-162 Space group: I -4 3 m Cell volume: 1554.57 Cell parameters: 11.5843; 11.5843; 11.5843; 90; 90; 90; |
COD ID: 1508420 | |
CIF file | Formula: - C24 H20 N6 Ni O8 - Comments: Prior, Timothy J.; Rujiwatra, Apinpus; Chimupala, Yothin [Ni(1,10-phenanthroline)2(H2O)2](NO3)2: A Simple Coordination Complex with a Remarkably Complicated Structure that Simplifies on Heating Crystals 1(3) (2012) 178-194 Space group: P 1 21/c 1 Cell volume: 14433.3 Cell parameters: 19.032; 47.979; 17.596; 90; 116.066; 90; |
COD ID: 1508421 | |
CIF file | Formula: - Ba5 Cd2 O2 Sb4 - Comments: Darone, Gregory M.; Bobev, Svilen Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure Crystals 1(3) (2012) 206-214 Space group: C 1 2/m 1 Cell volume: 766.3 Cell parameters: 17.247; 4.9279; 12.24; 90; 132.558; 90; |
COD ID: 1508422 | |
CIF file | Formula: - C14 H20 Bi I5 O5 - Comments: Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd (B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains Crystals 1(4) (2012) 220-228 Space group: P 1 21/c 1 Cell volume: 2484.1 Cell parameters: 13.7685; 11.7274; 17.0023; 90; 115.197; 90; |
COD ID: 1508423 | |
CIF file | Formula: - C14 H27.91 B18 Cl2.09 Co S8 - Comments: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals 2(1) (2012) 43-55 Space group: P -1 Cell volume: 1574.7 Cell parameters: 8.8565; 13.349; 14.654; 106.617; 102.684; 98.963; |
COD ID: 1508424 | |
CIF file | Formula: - C14 H27.75 B18 Br0.75 Cl1.25 Co S8 - Comments: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals 2(1) (2012) 43-55 Space group: P -1 Cell volume: 1568.6 Cell parameters: 8.7106; 13.441; 14.742; 106.991; 101.784; 99.504; |
COD ID: 1508425 | |
CIF file | Formula: - C36 H36.84 B18 Br1.16 Co O0.72 S32 - Comments: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals 2(1) (2012) 43-55 Space group: P -1 Cell volume: 3252.1 Cell parameters: 10.809; 16.187; 20.412; 100.22; 100.43; 107.21; |
COD ID: 1508426 | |
CIF file | Formula: - C8 H18 N12 - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104 Space group: P -1 Cell volume: 671.68 Cell parameters: 8.7982; 8.8927; 9.7756; 67.827; 86.181; 71.794; |
COD ID: 1508427 | |
CIF file | Formula: - C7 H15 N7 - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104 Space group: P b c a Cell volume: 1907.73 Cell parameters: 5.9696; 16.7493; 19.0799; 90; 90; 90; |
COD ID: 1508428 | |
CIF file | Formula: - C20 H58 N16 O8 - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104 Space group: P 1 21/c 1 Cell volume: 3464.91 Cell parameters: 12.6856; 8.82; 31.3885; 90; 99.39; 90; |
COD ID: 1508429 | |
CIF file | Formula: - C7 H17 N7 O - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104 Space group: P 1 21/c 1 Cell volume: 1007.43 Cell parameters: 8.8064; 11.1285; 10.5456; 90; 102.894; 90; |
COD ID: 1508430 | |
CIF file | Formula: - C H3 Ag N6 - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136 Space group: C 1 2/c 1 Cell volume: 967.4 Cell parameters: 18.0338; 3.601; 14.906; 90; 91.94; 90; |
COD ID: 1508431 | |
CIF file | Formula: - C4 H9 N5 S - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136 Space group: P -1 Cell volume: 358.88 Cell parameters: 5.9032; 7.4591; 9.2538; 113.598; 98.37; 99.017; |
COD ID: 1508432 | |
CIF file | Formula: - C5 H12 N5 P - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136 Space group: P 1 21/c 1 Cell volume: 892.4 Cell parameters: 5.9035; 13.388; 11.3173; 90; 93.941; 90; |
COD ID: 1508433 | |
CIF file | Formula: - C4 H9 N5 O S - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136 Space group: P 1 21/n 1 Cell volume: 775.34 Cell parameters: 5.2452; 14.029; 10.7735; 90; 102.036; 90; |
COD ID: 1508434 | |
CIF file | Formula: - C6 H14 N6 O - Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136 Space group: P -1 Cell volume: 461.53 Cell parameters: 5.49; 8.4206; 10.3003; 78.564; 85.796; 81.876; |
COD ID: 1508442 | |
CIF file | Formula: - As6 Ga Na10 Nb - Comments: He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals 2(2) (2012) 213-223 Space group: P 1 21/n 1 Cell volume: 847.58 Cell parameters: 8.3243; 7.5173; 13.5465; 90; 90.908; 90; |
COD ID: 1508443 | |
CIF file | Formula: - As6 Ga3 Na8 Rb - Comments: He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals 2(2) (2012) 213-223 Space group: P n m a Cell volume: 1844.6 Cell parameters: 22.843; 4.7892; 16.861; 90; 90; 90; |
COD ID: 1508444 | |
CIF file | Formula: - Ga3 Na8 P6 Rb - Comments: He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals 2(2) (2012) 213-223 Space group: P n m a Cell volume: 1710.5 Cell parameters: 22.276; 4.6947; 16.356; 90; 90; 90; |
COD ID: 1508445 | |
CIF file | Formula: - C27 H20 N3 O0.5 S16 - Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326 Space group: C 1 2/c 1 Cell volume: 7027.7 Cell parameters: 15.7423; 13.2947; 33.81; 90; 96.701; 90; |
COD ID: 1508446 | |
CIF file | Formula: - C25 H18 N3 O S16 - Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326 Space group: C 1 2/c 1 Cell volume: 6871.5 Cell parameters: 15.5152; 13.2644; 33.673; 90; 97.443; 90; |
COD ID: 1508447 | |
CIF file | Formula: - C29 H21 N4 O2 S16 - Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326 Space group: P -1 Cell volume: 7613.6 Cell parameters: 17.3403; 20.1481; 23.9412; 84.225; 69.596; 76.254; |
COD ID: 1508448 | |
CIF file | Formula: - C29 H21 N4 O2 S16 - Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326 Space group: P -1 Cell volume: 1862.4 Cell parameters: 10.2496; 11.2314; 18.0649; 96.525; 90.593; 115.397; |
COD ID: 1508449 | |
CIF file | Formula: - C31 H24.5 Cl1.5 N4 O2 S16 - Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326 Space group: P -1 Cell volume: 2041.6 Cell parameters: 7.6688; 12.6432; 22.6204; 98.43; 98.463; 106.246; |
COD ID: 1508450 | |
CIF file | Formula: - C16 H5 Cl2 I N2 O2 S6 - Comments: Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals 2(2) (2012) 327-337 Space group: P -1 Cell volume: 1002.31 Cell parameters: 7.0227; 12.676; 13.1732; 62.169; 76.282; 78.615; |
COD ID: 1508451 | |
CIF file | Formula: - C26 H11 Cl2 I4 N3 O2 S12 - Comments: Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals 2(2) (2012) 327-337 Space group: P -1 Cell volume: 1944.1 Cell parameters: 7.4173; 12.9354; 21.258; 79.6; 85.564; 75.854; |
COD ID: 1508452 | |
CIF file | Formula: - C84 H152 N4 O32 W10 - Comments: Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid Crystals 2(2) (2012) 362-373 Space group: P -1 Cell volume: 2566.1 Cell parameters: 10.7727; 11.3734; 23.982; 98.566; 95.298; 116.168; |
COD ID: 1508453 | |
CIF file | Formula: - C16 H10 Au N4 S6 Se2 - Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412 Space group: P n m a Cell volume: 2225 Cell parameters: 42.054; 12.3735; 4.276; 90; 90; 90; |
COD ID: 1508454 | |
CIF file | Formula: - C12 H11 O4.5 Re S6 Se2 - Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412 Space group: P -1 Cell volume: 1120 Cell parameters: 8.532; 9.75; 13.597; 94.949; 94.723; 93.783; |
COD ID: 1508455 | |
CIF file | Formula: - C25 H22 Cl I6 S12 Se4 - Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412 Space group: P -1 Cell volume: 2284.9 Cell parameters: 7.893; 8.594; 34.646; 89.481; 84.178; 77.788; |
COD ID: 1508456 | |
CIF file | Formula: - C14 H12 I3 S6 Se2 - Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412 Space group: P -1 Cell volume: 1153.3 Cell parameters: 8.443; 8.859; 16.686; 84.118; 89.712; 68.365; |
COD ID: 1508457 | |
CIF file | Formula: - C30 H24 Cl5 N O Os S24 - Comments: Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''"-(BEDT-TTF)3[OsNOCl5] Crystals 2(2) (2012) 627-642 Space group: P -1 Cell volume: 1324.2 Cell parameters: 7.6672; 9.8657; 17.9733; 91.151; 93.636; 102.434; |
COD ID: 1508458 | |
CIF file | Formula: - C36 H42 N6 O8 - Comments: Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals 2(2) (2012) 662-668 Space group: P 1 21/n 1 Cell volume: 1850.2 Cell parameters: 9.143; 19.352; 10.894; 90; 106.286; 90; |
COD ID: 1508459 | |
CIF file | Formula: - C36 H44 Cl4 N6 O8 - Comments: Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals 2(2) (2012) 662-668 Space group: P 1 21/n 1 Cell volume: 2058.3 Cell parameters: 12.89; 9.7; 16.89; 90; 102.92; 90; |
COD ID: 1508460 | |
CIF file | Formula: - C40 H42 N6 O8 - Comments: Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals 2(2) (2012) 662-668 Space group: P 1 21/c 1 Cell volume: 1966.2 Cell parameters: 12; 6.72; 24.4; 90; 92.21; 90; |
COD ID: 1508461 | |
CIF file | Formula: - C8 H7 N O5 - Comments: Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate Crystals 2(2) (2012) 669-674 Space group: P -1 Cell volume: 851 Cell parameters: 7.2831; 10.522; 11.41; 83.38; 80.83; 82.02; |
COD ID: 1508462 | |
CIF file | Formula: - C16 H12 Pd2 S20 Sb - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3355 Cell parameters: 14.325; 6.403; 36.893; 90; 97.543; 90; |
COD ID: 1508463 | |
CIF file | Formula: - C16 H12 P Pd2 S20 - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3301.4 Cell parameters: 14.379; 6.3539; 36.496; 90; 98.07; 90; |
COD ID: 1508464 | |
CIF file | Formula: - C16 H12 As Pd2 S20 - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3328.4 Cell parameters: 14.383; 6.3691; 36.672; 90; 97.793; 90; |
COD ID: 1508465 | |
CIF file | Formula: - C17 H14 Pd2 S20 Sb - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3427.9 Cell parameters: 14.503; 6.3989; 37.244; 90; 97.352; 90; |
COD ID: 1508466 | |
CIF file | Formula: - C17 H14 P Pd2 S20 - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3395.3 Cell parameters: 14.437; 6.3614; 37.243; 90; 96.938; 90; |
COD ID: 1508467 | |
CIF file | Formula: - C17 H14 As Pd2 S20 - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3406.6 Cell parameters: 14.448; 6.3715; 37.282; 90; 96.973; 90; |
COD ID: 1508468 | |
CIF file | Formula: - C18 H16 Pd2 S20 Sb - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3500 Cell parameters: 14.628; 6.4235; 37.577; 90; 97.577; 90; |
COD ID: 1508469 | |
CIF file | Formula: - C18 H16 P Pd2 S20 - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3483 Cell parameters: 14.473; 6.3918; 37.859; 90; 96.009; 90; |
COD ID: 1508470 | |
CIF file | Formula: - C18 H16 As Pd2 S20 - Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874 Space group: C 1 2/c 1 Cell volume: 3486.3 Cell parameters: 14.495; 6.4; 37.816; 90; 96.388; 90; |
COD ID: 1508471 | |
CIF file | Formula: - C8 H10 Br3 F6 N2 P - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P 1 21/n 1 Cell volume: 1496.11 Cell parameters: 7.5434; 15.5493; 12.7552; 90; 90.198; 90; |
COD ID: 1508472 | |
CIF file | Formula: - C7 H8 B Br3 F4 N2 - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: I 41/a :2 Cell volume: 10503.8 Cell parameters: 23.6138; 23.6138; 18.8371; 90; 90; 90; |
COD ID: 1508473 | |
CIF file | Formula: - C6 H3 Br3 N2 - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P b c 21 Cell volume: 867.61 Cell parameters: 7.1109; 7.8014; 15.6397; 90; 90; 90; |
COD ID: 1508474 | |
CIF file | Formula: - C8 H8 Br3 F6 N2 P - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P -1 Cell volume: 1481.96 Cell parameters: 8.2368; 13.4522; 13.6605; 92.476; 100.965; 92.884; |
COD ID: 1508475 | |
CIF file | Formula: - C7 H6 B Br3 F4 N2 - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: I 41/a :2 Cell volume: 10272.6 Cell parameters: 23.4674; 23.4674; 18.6531; 90; 90; 90; |
COD ID: 1508476 | |
CIF file | Formula: - C9 H6 Br3 F6 N3 O4 S2 - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P -1 Cell volume: 920.25 Cell parameters: 7.5438; 8.6311; 15.9716; 75.02; 87.083; 66.58; |
COD ID: 1508477 | |
CIF file | Formula: - C8 H8 Br5 F6 N2 P - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P -1 Cell volume: 846.88 Cell parameters: 7.6729; 7.8858; 15.8383; 90.001; 88.104; 62.169; |
COD ID: 1508478 | |
CIF file | Formula: - C8 H8 Br6 N2 - Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033 Space group: P -1 Cell volume: 1521 Cell parameters: 7.32; 11.5867; 18.1972; 87.611; 81.121; 86.375; |
COD ID: 1508479 | |
CIF file | Formula: - C15 H15 N O S - Comments: 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 2(3) (2012) 1058-1066 Space group: P n a 21 Cell volume: 1343.08 Cell parameters: 9.208; 14.0485; 10.3826; 90; 90; 90; |
COD ID: 1508480 | |
CIF file | Formula: - C13 H12 Cl N O S - Comments: 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 2(3) (2012) 1058-1066 Space group: P 1 21/c 1 Cell volume: 1265.45 Cell parameters: 10.6092; 10.8355; 11.1346; 90; 98.643; 90; |
COD ID: 1508481 | |
CIF file | Formula: - C13 H12 Cl N O S - Comments: 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 2(3) (2012) 1058-1066 Space group: P 1 21/c 1 Cell volume: 1316.53 Cell parameters: 10.3738; 10.8501; 11.8301; 90; 98.615; 90; |
COD ID: 1508482 | |
CIF file | Formula: - C14 H10 O S4 Se4 - Comments: 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 2(3) (2012) 1092-1107 Space group: P 1 21/n 1 Cell volume: 1821.4 Cell parameters: 5.2296; 11.006; 31.718; 90; 93.903; 90; |
COD ID: 1508483 | |
CIF file | Formula: - C17 H12.5 Cl0.5 F6 O P S4 Se4 - Comments: 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 2(3) (2012) 1092-1107 Space group: P -1 Cell volume: 1302.4 Cell parameters: 7.917; 10.582; 15.979; 76.666; 89.916; 89.124; |
COD ID: 1508484 | |
CIF file | Formula: - C40 H30 Cl2 F12 P2 S10 Se8 - Comments: 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 2(3) (2012) 1092-1107 Space group: P -1 Cell volume: 2893.6 Cell parameters: 12.666; 14.299; 16.289; 85.39; 88.219; 79.788; |
COD ID: 1508485 | |
CIF file | Formula: - C16 H13 F2 N3 O - Comments: 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 2(3) (2012) 1108-1115 Space group: C 1 2/c 1 Cell volume: 2862.11 Cell parameters: 17.6219; 10.8735; 15.3216; 90; 102.864; 90; |
COD ID: 1508486 | |
CIF file | Formula: - C16 H13 F2 N3 S - Comments: 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 2(3) (2012) 1108-1115 Space group: P 1 21/c 1 Cell volume: 1458.4 Cell parameters: 14.339; 11.1478; 9.541; 90; 107.007; 90; |
COD ID: 1508487 | |
CIF file | Formula: - Ce10 O Se14 - Comments: 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 2(3) (2012) 1136-1145 Space group: I 41/a c d :2 Cell volume: 5202.1 Cell parameters: 15.7896; 15.7896; 20.8659; 90; 90; 90; |
COD ID: 1508488 | |
CIF file | Formula: - La10 O Se14 - Comments: 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 2(3) (2012) 1136-1145 Space group: I 41/a c d :2 Cell volume: 5339.1 Cell parameters: 15.9204; 15.9204; 21.0648; 90; 90; 90; |
COD ID: 1508489 | |
CIF file | Formula: - Nd10 O Se14 - Comments: 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 2(3) (2012) 1136-1145 Space group: I 41/a c d :2 Cell volume: 5019.2 Cell parameters: 15.5983; 15.5983; 20.6291; 90; 90; 90; |
COD ID: 1508490 | |
CIF file | Formula: - O Pr10 Se14 - Comments: 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 2(3) (2012) 1136-1145 Space group: I 41/a c d :2 Cell volume: 5102.6 Cell parameters: 15.6874; 15.6874; 20.7342; 90; 90; 90; |
COD ID: 1508491 | |
CIF file | Formula: - C12 H10 Au0.94 Cl1.88 N2 S6 - Comments: 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 2(3) (2012) 1283-1290 Space group: I -4 2 d Cell volume: 3625.26 Cell parameters: 7.3259; 7.3259; 67.5487; 90; 90; 90; |
COD ID: 1508492 | |
CIF file | Formula: - C12 H10 Au0.94 Cl1.88 N2 S6 - Comments: 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 2(3) (2012) 1283-1290 Space group: I -4 2 d Cell volume: 3596.74 Cell parameters: 7.3066; 7.3066; 67.3719; 90; 90; 90; |
COD ID: 1508493 | |
CIF file | Formula: - C15 H13 Cl N2 O S - Comments: 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 2(3) (2012) 1347-1356 Space group: P 1 21/c 1 Cell volume: 1433.33 Cell parameters: 15.6941; 10.7909; 8.6586; 90; 102.184; 90; |
COD ID: 1508494 | |
CIF file | Formula: - C15 H13 Cl N2 O S - Comments: 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 2(3) (2012) 1347-1356 Space group: P 1 21/c 1 Cell volume: 1467.12 Cell parameters: 15.5187; 10.9358; 8.8141; 90; 101.245; 90; |
COD ID: 1508495 | |
CIF file | Formula: - C15 H13 Cl N2 O S - Comments: 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 2(3) (2012) 1347-1356 Space group: P 1 21/c 1 Cell volume: 1511.7 Cell parameters: 15.1766; 11.2809; 8.9334; 90; 98.726; 90; |
COD ID: 1508496 | |
CIF file | Formula: - C3 H4 N2 O - Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501 Space group: P 21 21 21 Cell volume: 393.75 Cell parameters: 5.1024; 8.2922; 9.3064; 90; 90; 90; |
COD ID: 1508497 | |
CIF file | Formula: - C3 H5 Cl N2 O - Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501 Space group: P 1 21/n 1 Cell volume: 502.96 Cell parameters: 4.2693; 10.7541; 10.9756; 90; 93.535; 90; |
COD ID: 1508498 | |
CIF file | Formula: - C3 H5 Br N2 O - Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501 Space group: P 1 21/n 1 Cell volume: 545.07 Cell parameters: 4.4182; 11.0416; 11.2015; 90; 94.081; 90; |
COD ID: 1508499 | |
CIF file | Formula: - C6 H10 N4 O6 S - Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501 Space group: P -1 Cell volume: 556.62 Cell parameters: 6.5611; 7.7322; 12.1134; 97.82; 91.912; 113.295; |
COD ID: 1508500 | |
CIF file | Formula: - C3 H5 N3 O4 - Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501 Space group: C 1 c 1 Cell volume: 568.26 Cell parameters: 3.6216; 17.385; 9.0259; 90; 90.499; 90; |
COD ID: 1508501 | |
CIF file | Formula: - C3 H10 Bi O11 S3 - Comments: Gschwind, Fabienne; Jansen, Martin An Unusual Bismuth Ethanedisulfonate Network Crystals 2(4) (2012) 1374-1381 Space group: P 1 21/c 1 Cell volume: 1145.4 Cell parameters: 11.601; 10.39; 10.498; 90; 115.15; 90; |
COD ID: 1513836 | |
CIF file | Formula: - C22 H37 N20 O41 W10 - Comments: Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals 4(1) (2014) 64 Space group: P 1 21/c 1 Cell volume: 2860.8 Cell parameters: 14.477; 10.8678; 21.627; 90; 122.78; 90; |
COD ID: 1513837 | |
CIF file | Formula: - C14 H22 N8 O25 W6 - Comments: Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals 4(1) (2014) 64 Space group: C 1 2/c 1 Cell volume: 3237.1 Cell parameters: 16.81; 13.0514; 15.675; 90; 109.73; 90; |
COD ID: 1513838 | |
CIF file | Formula: - C21 H45 N12 O46.5 W10 - Comments: Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals 4(1) (2014) 64 Space group: P -1 Cell volume: 3223.8 Cell parameters: 13.4905; 15.1707; 17.0692; 79.594; 89.386; 70.001; |
COD ID: 1518356 | |
CIF file | Formula: - C2 H13 Co N4 O9 - Comments: Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate Crystals 4(4) (2014) 490 Space group: P 1 21/n 1 Cell volume: 1000.4 Cell parameters: 7.8532; 10; 13.192; 90; 105.06; 90; |
COD ID: 1520321 | |
CIF file | Formula: - B Ga O3 - Comments: Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3 Crystals 5(2) (2015) 252 Space group: R -3 c :H Cell volume: 255.947 Cell parameters: 4.5659; 4.5659; 14.1764; 90; 90; 120; |
COD ID: 1529351 | |
CIF file | Formula: - C4 H48 K0.28 N16 Ni2 O4 Rb7.72 Si18 - Comments: 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 5(3) (2015) 275 Space group: C 1 2/c 1 Cell volume: 5680 Cell parameters: 30.669; 9.919; 19.894; 90; 110.18; 90; |
COD ID: 1529352 | |
CIF file | Formula: - C20 H9 N3 O9 S4 - Comments: 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 5(3) (2015) 283 Space group: P 1 21/n 1 Cell volume: 2208 Cell parameters: 8.0275; 7.8676; 34.961; 90; 90.106; 90; |
COD ID: 1529353 | |
CIF file | Formula: - C21 H11 N3 O9 S4 - Comments: 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 5(3) (2015) 283 Space group: P 1 21/n 1 Cell volume: 2364 Cell parameters: 19.078; 7.2068; 19.443; 90; 117.833; 90; |
COD ID: 1540501 | |
CIF file | Formula: - As3 Ga Sr3 - Comments: 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 5(4) (2015) 433 Space group: P n m a Cell volume: 1598.4 Cell parameters: 12.757; 19.268; 6.503; 90; 90; 90; |
COD ID: 1540502 | |
CIF file | Formula: - Al As3 Ba3 - Comments: 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 5(4) (2015) 433 Space group: C m c e Cell volume: 1810.3 Cell parameters: 19.854; 6.8636; 13.2849; 90; 90; 90; |
COD ID: 1540503 | |
CIF file | Formula: - As3 Ba3 Ga - Comments: 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 5(4) (2015) 433 Space group: P n m a Cell volume: 1815.1 Cell parameters: 13.3589; 19.9788; 6.8008; 90; 90; 90; |
COD ID: 1540504 | |
CIF file | Formula: - Al Ba3 P3 - Comments: 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 5(4) (2015) 433 Space group: C m c e Cell volume: 1693.1 Cell parameters: 19.3572; 6.7433; 12.9707; 90; 90; 90; |
COD ID: 1540505 | |
CIF file | Formula: - Ga P3 Sr3 - Comments: 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 5(4) (2015) 433 Space group: C m c e Cell volume: 1488.2 Cell parameters: 18.787; 6.3867; 12.403; 90; 90; 90; |
COD ID: 1540506 | |
CIF file | Formula: - Al As3 Sr3 - Comments: 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 5(4) (2015) 433 Space group: C m c e Cell volume: 1595 Cell parameters: 19.149; 6.5652; 12.6871; 90; 90; 90; |
COD ID: 1540507 | |
CIF file | Formula: - C9 H16 O2 - Comments: 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 5(4) (2015) 466 Space group: P 1 21/c 1 Cell volume: 920.87 Cell parameters: 10.6473; 5.2855; 17.0313; 90; 106.099; 90; |
COD ID: 1540508 | |
CIF file | Formula: - C10 H18 O2 - Comments: 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 5(4) (2015) 466 Space group: P -1 Cell volume: 1033.39 Cell parameters: 4.1405; 15.2839; 17.7089; 68.3291; 83.385; 85.0779; |
COD ID: 1540509 | |
CIF file | Formula: - C24 H26 Ca N4 O14 S2 - Comments: 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 5(4) (2015) 458 Space group: P 21 21 2 Cell volume: 1559.3 Cell parameters: 16.355; 17.478; 5.4549; 90; 90; 90; |
COD ID: 1540633 | |
CIF file | Formula: - C26 H31 Br N2 O7 S - Comments: Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals 5(4) (2015) 475 Space group: P 1 21/n 1 Cell volume: 2702.6 Cell parameters: 10.418; 14.7052; 17.8673; 90; 99.129; 90; |
COD ID: 1540634 | |
CIF file | Formula: - C26 H29 Br N2 O7 S - Comments: Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals 5(4) (2015) 475 Space group: P -1 Cell volume: 1293.2 Cell parameters: 8.3812; 13.0305; 13.2656; 64.054; 83.078; 86.643; |
COD ID: 1540635 | |
CIF file | Formula: - C48 H54 Br2 N4 O10 S2 - Comments: Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals 5(4) (2015) 475 Space group: P 1 21/n 1 Cell volume: 4822 Cell parameters: 15.9728; 14.008; 22.8933; 90; 109.716; 90; |
COD ID: 1540636 | |
CIF file | Formula: - C32 H34 Cu0 N4 O8 Zn - Comments: Tai, Xi-Shi; You, Hai-Ying A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property Crystals 5(4) (2015) 608 Space group: P 1 21 1 Cell volume: 1536.7 Cell parameters: 11.421; 9.2213; 15.188; 90; 106.112; 90; |
COD ID: 1543243 | |
CIF file | Formula: - C10 H13 N O2 - Comments: Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds Crystals 6(4) (2016) 37 Space group: P 1 21/c 1 Cell volume: 1012.8 Cell parameters: 9.3613; 9.3135; 11.8981; 90; 102.497; 90; |
COD ID: 1543244 | |
CIF file | Formula: - C10 H12 Br N O2 - Comments: Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds Crystals 6(4) (2016) 37 Space group: P 1 21/c 1 Cell volume: 1152.1 Cell parameters: 10.4435; 9.209; 12.2744; 90; 102.599; 90; |
COD ID: 1544035 | |
CIF file | Formula: - C20 H14 N4 O2 S2 - Comments: 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 6(8) (2016) 89 Space group: P 1 Cell volume: 488.84 Cell parameters: 5.3047; 9.4281; 10.3733; 73.857; 79.443; 83.488; |
COD ID: 1546797 | |
CIF file | Formula: - C9 H11 O - Comments: 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 7 (2017) 218 Space group: P 21 21 21 Cell volume: 1419.92 Cell parameters: 6.768729; 8.96849; 23.39031; 90; 90; 90; |
COD ID: 1548555 | |
CIF file | Formula: - C22 H27 N5 O5 Zn - Comments: 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 6 (2016) 132 Space group: P 1 21/c 1 Cell volume: 2349.55 Cell parameters: 10.73257; 23.2562; 9.76351; 90; 105.393; 90; |
COD ID: 1548556 | |
CIF file | Formula: - C22 H27 Cd N5 O5 - Comments: 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 6 (2016) 132 Space group: P 1 21/c 1 Cell volume: 2407.22 Cell parameters: 10.8546; 23.6261; 9.6799; 90; 104.14; 90; |
COD ID: 1548557 | |
CIF file | Formula: - C20 H22 N4 O4 Zn - Comments: 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 6 (2016) 132 Space group: P 21 21 21 Cell volume: 5893 Cell parameters: 15.123; 18.806; 20.722; 90; 90; 90; |
COD ID: 1548558 | |
CIF file | Formula: - C21 H26 Cd N4 O5 - Comments: 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 6 (2016) 132 Space group: P -1 Cell volume: 1123.1 Cell parameters: 9.2444; 10.0116; 14.4659; 107.371; 91.269; 116.622; |
COD ID: 1549467 | |
CIF file | Formula: - C2 H3 Na O2 - Comments: Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals 8 (2018) 213 Space group: P c c a Cell volume: 353.89 Cell parameters: 5.9482; 10.0866; 5.8984; 90; 90; 90; |
COD ID: 1549468 | |
CIF file | Formula: - C2 H3 Na O2 - Comments: Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals 8 (2018) 213 Space group: P 4/n m m :2 Cell volume: 173.64 Cell parameters: 4.156; 4.156; 10.053; 90; 90; 90; |
COD ID: 1549470 | |
CIF file | Formula: - H3 Na O8 Se2 V - Comments: 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 8 (2018) 215 Space group: C 1 2/c 1 Cell volume: 1644.6 Cell parameters: 18.5779; 7.5662; 12.5844; 90; 111.612; 90; |
COD ID: 1557475 | |
CIF file | Formula: - C16 H22 N2 O9 Rh2 - Comments: 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 10(2) (2020) 85 Space group: P 1 21/c 1 Cell volume: 2005.4 Cell parameters: 8.1042; 14.3559; 17.696; 90; 103.077; 90; |
COD ID: 1558499 | |
CIF file | Formula: - Ca7.97 Fe0.56 Mg9.47 O48 P12 - Comments: 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 10(6) (2020) 464 Space group: C 1 2/c 1 Cell volume: 3822.53 Cell parameters: 22.7973; 9.9833; 17.0522; 90; 99.954; 90; |
COD ID: 1558500 | |
CIF file | Formula: - C36 H20 Br3.77 Cl8 Cu2 N4 - Comments: 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 10(6) (2020) 477 Space group: P -1 Cell volume: 992.76 Cell parameters: 7.8673; 11.0031; 11.7131; 82.325; 89.994; 81.179; |
COD ID: 1558501 | |
CIF file | Formula: - C18 H13.5 B Cu F4 N6 O0.75 - Comments: 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 10(6) (2020) 548 Space group: C 1 c 1 Cell volume: 7807.6 Cell parameters: 19.6546; 17.9133; 24.0581; 90; 112.816; 90; |
COD ID: 1559469 | |
CIF file | Formula: - C8 H12 N2 O2 - Comments: 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 10(10) (2020) 894 Space group: P b c n Cell volume: 823.55 Cell parameters: 15.072; 7.9873; 6.841; 90; 90; 90; |
COD ID: 1559470 | |
CIF file | Formula: - C8 H16 N2 O4 - Comments: 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 10(10) (2020) 894 Space group: P 1 21/c 1 Cell volume: 1013 Cell parameters: 7.959; 7.154; 17.799; 90; 91.68; 90; |
COD ID: 1559471 | |
CIF file | Formula: - Bi6 Br7 - Comments: 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 10(10) (2020) 940 Space group: P n n m Cell volume: 3306.65 Cell parameters: 15.4996; 23.6435; 9.0231; 90; 90; 90; |
COD ID: 1559472 | |
CIF file | Formula: - C19 H16 O6 - Comments: 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 10(10) (2020) 911 Space group: P 1 21/c 1 Cell volume: 3135.7 Cell parameters: 12.0654; 11.0666; 23.955; 90; 101.376; 90; |
COD ID: 1560703 | |
CIF file | Formula: - C38 H32 Cl2 Ir N8 Pt - Comments: 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 11(3) (2021) 236 Space group: C 1 2/c 1 Cell volume: 8982.2 Cell parameters: 13.0437; 24.3865; 28.8657; 90; 101.971; 90; |
COD ID: 1563171 | |
CIF file | Formula: - C80 H92 Co5 N2 O48 - Comments: 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 11(6) (2021) 574 Space group: P -1 Cell volume: 2297.9 Cell parameters: 10.532; 13.2619; 18.1118; 70.883; 74.056; 85.86; |
COD ID: 1563172 | |
CIF file | Formula: - C82 H86 Co6 N2 O48 - Comments: 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 11(6) (2021) 574 Space group: P -1 Cell volume: 2453.6 Cell parameters: 11.2564; 15.9785; 16.5583; 62.347; 73.527; 70.219; |
COD ID: 1564146 | |
CIF file | Formula: - C49.8 H81.1 O15.75 - Comments: Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals 11(2) (2021) 172 Space group: I 1 2 1 Cell volume: 5299.5 Cell parameters: 14.8197; 9.1753; 39.094; 90; 94.49; 90; |
COD ID: 1564147 | |
CIF file | Formula: - C98.1 H151.2 O29 - Comments: Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals 11(2) (2021) 172 Space group: P 21 21 21 Cell volume: 10100.9 Cell parameters: 16.7127; 24.5777; 24.5908; 90; 90; 90; |
COD ID: 1564148 | |
CIF file | Formula: - C98.1 H152.2 O28.5 - Comments: Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals 11(2) (2021) 172 Space group: P 21 21 21 Cell volume: 10108.5 Cell parameters: 16.7309; 24.5805; 24.5797; 90; 90; 90; |
COD ID: 1566036 | |
CIF file | Formula: - Ca3 Cs2 O16 S4 - Comments: Fang, Penglin; Tang, Wenyue; Shen, Yaoguo; Hong, Jinquan; Li, Yongming; Jia, Junrong Crystal Structure and Theoretical Analysis of Cs2Ca3(SO4)4 Crystals 12(2) (2022) 126 Space group: P 1 21/c 1 Cell volume: 802.04 Cell parameters: 9.9153; 9.376; 9.8044; 90; 118.365; 90; |
COD ID: 1566037 | |
CIF file | Formula: - Ca7 Mg O16 Si4 - Comments: Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite Crystals 11(1) (2020) 14 Space group: P n n m Cell volume: 1344 Cell parameters: 18.3434; 6.7313; 10.8844; 90; 90; 90; |
COD ID: 1566038 | |
CIF file | Formula: - C56 H45 Cu F6 N2 O1.5 P3 - Comments: 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 11(2) (2021) 185 Space group: P -1 Cell volume: 2421.34 Cell parameters: 11.4728; 14.2115; 16.0992; 92.018; 91.054; 112.546; |
COD ID: 1566039 | |
CIF file | Formula: - C44 H32 F9 O8 Pr - Comments: 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 11(2) (2021) 179 Space group: P 1 21/c 1 Cell volume: 4042.4 Cell parameters: 8.9307; 28.9448; 16.2421; 90; 105.674; 90; |
COD ID: 1566040 | |
CIF file | Formula: - C62 H40 F9 N4 O6 Pr - Comments: 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 11(2) (2021) 179 Space group: P -1 Cell volume: 2632.08 Cell parameters: 11.9059; 15.3694; 16.5675; 79.097; 70.308; 67.575; |
COD ID: 1566041 | |
CIF file | Formula: - C54 H36 F9 N2 O8 Pr - Comments: 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 11(2) (2021) 179 Space group: P 1 21/c 1 Cell volume: 4740.7 Cell parameters: 13.2021; 14.6509; 24.8108; 90; 98.938; 90; |
COD ID: 1566042 | |
CIF file | Formula: - C54 H36 F9 N2 O6 Pr - Comments: 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 11(2) (2021) 179 Space group: P c a 21 Cell volume: 4711.7 Cell parameters: 20.1848; 11.9034; 19.6102; 90; 90; 90; |
COD ID: 1566043 | |
CIF file | Formula: - C28 H20 Cl N O - Comments: 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 11(5) (2021) 530 Space group: P -1 Cell volume: 1068.2 Cell parameters: 6.9675; 7.6046; 20.706; 83.02; 80.403; 83.126; |
COD ID: 1566044 | |
CIF file | Formula: - C30 H22 Cl7 N O - Comments: 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 11(5) (2021) 530 Space group: P -1 Cell volume: 1542.9 Cell parameters: 10.1961; 10.854; 14.091; 84.387; 87.485; 84.125; |
COD ID: 1567430 | |
CIF file | Formula: - C8 H13 N O Si - Comments: 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 12(8) (2022) 1054 Space group: P b c a Cell volume: 4025.4 Cell parameters: 11.6876; 24.898; 13.833; 90; 90; 90; |
COD ID: 1567431 | |
CIF file | Formula: - C8 H13 N S Si - Comments: 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 12(8) (2022) 1054 Space group: P 1 21/m 1 Cell volume: 523.71 Cell parameters: 6.6079; 7.2078; 11.1025; 90; 97.954; 90; |
COD ID: 1567432 | |
CIF file | Formula: - C12 H14 N2 O2 Si - Comments: 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 12(8) (2022) 1054 Space group: P 1 21/c 1 Cell volume: 2558.8 Cell parameters: 12.7881; 10.7211; 18.6634; 90; 90.247; 90; |
COD ID: 1567433 | |
CIF file | Formula: - C12 H14 N2 S2 Si - Comments: 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 12(8) (2022) 1054 Space group: P -1 Cell volume: 1395.13 Cell parameters: 9.7145; 11.5896; 12.9509; 73.601; 89.903; 85.998; |
COD ID: 1567434 | |
CIF file | Formula: - C22 H18 N2 O2 Si - Comments: 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 12(8) (2022) 1054 Space group: P 1 Cell volume: 1431.76 Cell parameters: 6.1626; 8.8822; 26.4639; 88.692; 88.561; 81.453; |
COD ID: 1567435 | |
CIF file | Formula: - C22 H18 N2 S2 Si - Comments: 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 12(8) (2022) 1054 Space group: P -1 Cell volume: 972.92 Cell parameters: 9.4763; 10.2415; 11.1044; 96.698; 114.442; 90.107; |
COD ID: 1567436 | |
CIF file | Formula: - C22 H18 N2 S2 Si - Comments: 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 12(8) (2022) 1054 Space group: P 1 21/n 1 Cell volume: 1973.33 Cell parameters: 12.3581; 12.704; 12.5693; 90; 90.262; 90; |
COD ID: 1567437 | |
CIF file | Formula: - C22 H18 N2 S2 Si - Comments: 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 12(8) (2022) 1054 Space group: C 1 2/c 1 Cell volume: 2076.33 Cell parameters: 10.9877; 19.5766; 9.7361; 90; 97.501; 90; |
COD ID: 1567438 | |
CIF file | Formula: - C29 H26 N2 S2 Si - Comments: 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 12(8) (2022) 1054 Space group: P -1 Cell volume: 1317.8 Cell parameters: 9.7034; 11.2023; 13.2853; 73.607; 72.232; 82.511; |
COD ID: 1567585 | |
CIF file | Formula: - C68 H48 Co N10 S2 - Comments: 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 12(8) (2022) 1136 Space group: P 1 21/c 1 Cell volume: 2870.06 Cell parameters: 8.7148; 18.4121; 18.2547; 90; 101.524; 90; |
COD ID: 1567586 | |
CIF file | Formula: - C54 H50 Cl6 Co N10 S2 - Comments: 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 12(8) (2022) 1136 Space group: P 1 21/n 1 Cell volume: 2710.13 Cell parameters: 8.3422; 16.5164; 19.9774; 90; 100.072; 90; |
COD ID: 1567587 | |
CIF file | Formula: - C73 H59 Cl9 Co N10 O2 S2 - Comments: 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 12(8) (2022) 1136 Space group: P 1 21/c 1 Cell volume: 3699.3 Cell parameters: 14.7142; 9.842; 25.64; 90; 94.944; 90; |
COD ID: 1567588 | |
CIF file | Formula: - C52.8 H48.8 Cl2.4 Co N10 S2 - Comments: 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 12(8) (2022) 1136 Space group: P 1 21/n 1 Cell volume: 2521.87 Cell parameters: 13.3183; 12.5045; 15.2418; 90; 96.533; 90; |
COD ID: 1567589 | |
CIF file | Formula: - C33 H24 N4 - Comments: 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 12(8) (2022) 1136 Space group: C 1 2/c 1 Cell volume: 4988.3 Cell parameters: 34.855; 8.6116; 30.178; 90; 146.585; 90; |
COD ID: 1567735 | |
CIF file | Formula: - C2 H5 N O2 - Comments: 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 12(10) (2022) 1342 Space group: P 31 Cell volume: 231.3 Cell parameters: 6.9848; 6.9848; 5.4744; 90; 90; 120; |
COD ID: 1567736 | |
CIF file | Formula: - C2 H5 N O2 - Comments: 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 12(10) (2022) 1342 Space group: P 1 21/n 1 Cell volume: 309.43 Cell parameters: 5.1004; 11.9664; 5.457; 90; 111.714; 90; |
COD ID: 1567904 | |
CIF file | Formula: - C12 H40 F18 Fe4 N6 O2 - Comments: Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals 12(10) (2022) 1443 Space group: P 1 2/c 1 Cell volume: 2811.3 Cell parameters: 16.9178; 13.6023; 12.8848; 90; 108.53; 90; |
COD ID: 1567905 | |
CIF file | Formula: - C4 H14 F5 Fe N2 O - Comments: Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals 12(10) (2022) 1443 Space group: P 1 21/n 1 Cell volume: 917.06 Cell parameters: 11.4695; 5.8774; 13.609; 90; 91.553; 90; |
COD ID: 1567906 | |
CIF file | Formula: - C8 H26 F13 Fe3 N4 O - Comments: Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals 12(10) (2022) 1443 Space group: C 1 2/c 1 Cell volume: 3770.4 Cell parameters: 20.5365; 13.5405; 13.5727; 90; 92.588; 90; |
COD ID: 1568586 | |
CIF file | Formula: - In O3 Tb - Comments: Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone Crystals 13(2) (2023) 287 Space group: P 63 c m Cell volume: 424.195 Cell parameters: 6.3088; 6.3088; 12.3067; 90; 90; 120; |
COD ID: 1568587 | |
CIF file | Formula: - Cl2 Cu H4 O2 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: P m n a Cell volume: 221.333 Cell parameters: 8.0553; 3.7295; 7.3674; 90; 90; 90; |
COD ID: 1568588 | |
CIF file | Formula: - Cl2 Cu H4 O2 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: P m n a Cell volume: 220.32 Cell parameters: 8.0405; 3.7238; 7.3585; 90; 90; 90; |
COD ID: 1568589 | |
CIF file | Formula: - Cl2 H12 Ni O6 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: I 1 2/m 1 Cell volume: 400.29 Cell parameters: 6.5628; 7.033; 8.7326; 90; 96.723; 90; |
COD ID: 1568590 | |
CIF file | Formula: - Cl2 H12 Ni O6 - Comments: Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals 13(2) (2023) 293 Space group: I 1 2/m 1 Cell volume: 399.36 Cell parameters: 6.5579; 7.0244; 8.7291; 90; 96.702; 90; |
COD ID: 1568591 | |
CIF file | Formula: - C10 H18 Ca O5 - Comments: Lopresti, Mattia; Milanesio, Marco; Palin, Luca The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data Crystals 13(2) (2023) 261 Space group: P -1 Cell volume: 622.21 Cell parameters: 5.8633; 6.8363; 16.0587; 79.338; 81.318; 82.834; |
COD ID: 1568592 | |
CIF file | Formula: - C6 H5 N O2 - Comments: Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V. Solubility and Crystallization Studies of Picolinic Acid Crystals 13(3) (2023) 392 Space group: C 1 2/c 1 Cell volume: 1061.29 Cell parameters: 21.211; 3.7625; 13.9555; 90; 107.653; 90; |
COD ID: 1568782 | |
CIF file | Formula: - C51 H47 N9 O14 Zn - Comments: Pook, Niels-Patrick Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations Crystals 13(4) (2023) 569 Space group: P b c a Cell volume: 9517.1 Cell parameters: 14.6426; 20.0946; 32.345; 90; 90; 90; |
COD ID: 1568783 | |
CIF file | Formula: - C22 H28 Cl Cu Ho N6 O10 - Comments: Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization Crystals 13(3) (2023) 535 Space group: P 1 21/n 1 Cell volume: 2864.6 Cell parameters: 8.8038; 16.3659; 19.8889; 90; 91.557; 90; |
COD ID: 1568784 | |
CIF file | Formula: - C22 H28 Cl Cu Gd N6 O10 - Comments: Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization Crystals 13(3) (2023) 535 Space group: P 1 21/n 1 Cell volume: 2931 Cell parameters: 8.8191; 16.5598; 20.0787; 90; 91.748; 90; |
COD ID: 1569035 | |
CIF file | Formula: - C10 H4 Br4 N2 - Comments: Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon Crystals 13(4) (2023) 704 Space group: P -1 Cell volume: 1293.15 Cell parameters: 7.8725; 10.9122; 15.6053; 103.034; 96.915; 92.46; |
COD ID: 1569036 | |
CIF file | Formula: - C12 H12 Br4 Co N4 O8 - Comments: Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon Crystals 13(4) (2023) 704 Space group: C 1 2/c 1 Cell volume: 2051.8 Cell parameters: 18.3716; 11.4111; 13.2287; 90; 132.282; 90; |
COD ID: 1569037 | |
CIF file | Formula: - C15 H22 Br N S3 - Comments: Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) Crystals 13(4) (2023) 616 Space group: P -1 Cell volume: 842.66 Cell parameters: 8.0769; 8.5225; 12.5476; 99.941; 96.608; 93.121; |
COD ID: 1569038 | |
CIF file | Formula: - C16 H23 Cl3 N2 O3 S3 - Comments: Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) Crystals 13(4) (2023) 616 Space group: P -1 Cell volume: 1125.9 Cell parameters: 8.5163; 9.5058; 14.5582; 73.29; 89.59; 85.96; |
COD ID: 1569039 | |
CIF file | Formula: - C18 H23 Cl N2 O S3 - Comments: Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) Crystals 13(4) (2023) 616 Space group: P -1 Cell volume: 958.31 Cell parameters: 8.4811; 9.8093; 11.8739; 99.469; 99.016; 93.623; |
COD ID: 1569279 | |
CIF file | Formula: - C42 H28 - Comments: Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S. Additive-Assisted Crystallization of 9,10-Diphenylanthracene Crystals 13(6) (2023) 861 Space group: P 1 21/c 1 Cell volume: 1430.43 Cell parameters: 16.4311; 8.03; 11.2057; 90; 104.651; 90; |
COD ID: 1569440 | |
CIF file | Formula: - C7 H13 N3 Si - Comments: Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals 13(7) (2023) 990 Space group: P 1 21/c 1 Cell volume: 1943.92 Cell parameters: 9.4337; 19.5412; 10.7349; 90; 100.794; 90; |
COD ID: 1569441 | |
CIF file | Formula: - C10 H14 N6 Si - Comments: Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals 13(7) (2023) 990 Space group: P -1 Cell volume: 608.08 Cell parameters: 8.6757; 8.874; 9.0989; 64.211; 75.463; 79.194; |
COD ID: 1569442 | |
CIF file | Formula: - C30 H38 N18 O Si2 - Comments: Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals 13(7) (2023) 990 Space group: P -1 Cell volume: 1780.7 Cell parameters: 10.064; 11.1921; 18.6757; 72.898; 89; 63.346; |
COD ID: 1569443 | |
CIF file | Formula: - C23 H24 N12 O Si - Comments: Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals 13(7) (2023) 990 Space group: P 1 21/c 1 Cell volume: 7593.81 Cell parameters: 15.9611; 21.1674; 22.6832; 90; 97.74; 90; |
COD ID: 1569444 | |
CIF file | Formula: - C22 H19 Cl N4 S - Comments: Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M. Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement Crystals 13(7) (2023) 992 Space group: P 1 21/c 1 Cell volume: 1992.94 Cell parameters: 11.0242; 16.5074; 11.0507; 90; 97.688; 90; |
COD ID: 1569445 | |
CIF file | Formula: - C23 H17 Cl N4 S - Comments: Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M. Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement Crystals 13(7) (2023) 992 Space group: P -1 Cell volume: 1984.17 Cell parameters: 12.1537; 12.8679; 15.0994; 70.272; 69.417; 67.402; |
COD ID: 1569624 | |
CIF file | Formula: - C4 H11 Cl2 Cu N5 - Comments: Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F. Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes Crystals 13(8) (2023) 1176 Space group: P 1 21/n 1 Cell volume: 909.64 Cell parameters: 7.5287; 16.5771; 7.9737; 90; 113.925; 90; |
COD ID: 1569625 | |
CIF file | Formula: - C12 H39 Cl5.01 Co2 N15 O3 - Comments: Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F. Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes Crystals 13(8) (2023) 1176 Space group: P 1 21/n 1 Cell volume: 3032.62 Cell parameters: 10.3808; 26.2761; 11.3407; 90; 101.374; 90; |
COD ID: 1569626 | |
CIF file | Formula: - C20 H28 Co O8 Pb - Comments: Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V. Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14] Crystals 13(7) (2023) 1089 Space group: P 1 21/c 1 Cell volume: 2424.7 Cell parameters: 8.7792; 20.142; 13.72; 90; 91.957; 90; |
COD ID: 1569627 | |
CIF file | Formula: - C70 H98 Co5 O28 Pb2 - Comments: Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V. Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14] Crystals 13(7) (2023) 1089 Space group: P 1 21/c 1 Cell volume: 4143.63 Cell parameters: 23.8452; 10.7063; 16.3561; 90; 97.096; 90; |
COD ID: 1569628 | |
CIF file | Formula: - C6 H6 Cl N O3 - Comments: Johnson, Aidan V.; Piedade, M. Fátima M.; Esteves, Catarina V. pH-Dependent Crystallization of 2-, 4-, 5-, and 6-Hydroxynicotinic Acids in Aqueous Media Crystals 13(7) (2023) 1062 Space group: P 1 21/c 1 Cell volume: 1464.8 Cell parameters: 12.648; 13.634; 8.574; 90; 97.801; 90; |
COD ID: 1569629 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.428 Cell parameters: 9.5443; 9.5443; 7.5603; 90; 90; 120; |
COD ID: 1569630 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.51 Cell parameters: 9.543; 9.543; 7.5634; 90; 90; 120; |
COD ID: 1569631 | |
CIF file | Formula: - Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.525 Cell parameters: 9.5435; 9.5435; 7.5628; 90; 90; 120; |
COD ID: 1569632 | |
CIF file | Formula: - Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 598.862 Cell parameters: 9.5534; 9.5534; 7.5767; 90; 90; 120; |
COD ID: 1569633 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 594.61 Cell parameters: 9.5329; 9.5329; 7.5553; 90; 90; 120; |
COD ID: 1569634 | |
CIF file | Formula: - B4 Bi0.05 Fe3 O12 Sm0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 601.125 Cell parameters: 9.565; 9.565; 7.5869; 90; 90; 120; |
COD ID: 1569635 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.388 Cell parameters: 9.5443; 9.5443; 7.5598; 90; 90; 120; |
COD ID: 1569636 | |
CIF file | Formula: - Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 600.015 Cell parameters: 9.5595; 9.5595; 7.5816; 90; 90; 120; |
COD ID: 1569637 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.424 Cell parameters: 9.5444; 9.5444; 7.5601; 90; 90; 120; |
COD ID: 1569638 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.543 Cell parameters: 9.5439; 9.5439; 7.5624; 90; 90; 120; |
COD ID: 1569639 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.657 Cell parameters: 9.5443; 9.5443; 7.5632; 90; 90; 120; |
COD ID: 1569640 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 597.148 Cell parameters: 9.5452; 9.5452; 7.568; 90; 90; 120; |
COD ID: 1569641 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.468 Cell parameters: 9.5438; 9.5438; 7.5616; 90; 90; 120; |
COD ID: 1569642 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.545 Cell parameters: 9.5441; 9.5441; 7.5621; 90; 90; 120; |
COD ID: 1569643 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.445 Cell parameters: 9.544; 9.544; 7.561; 90; 90; 120; |
COD ID: 1569644 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.476 Cell parameters: 9.545; 9.545; 7.5598; 90; 90; 120; |
COD ID: 1569645 | |
CIF file | Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128 Space group: R 3 2 :H Cell volume: 596.457 Cell parameters: 9.5446; 9.5446; 7.5602; 90; 90; 120; |
COD ID: 1569803 | |
CIF file | Formula: - C47 H31 N2 O7 Zn2 - Comments: Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals 13(8) (2023) 1266 Space group: F d d 2 Cell volume: 22258.7 Cell parameters: 60.5386; 62.2276; 5.9086; 90; 90; 90; |
COD ID: 1569804 | |
CIF file | Formula: - C74 H46 N2 O12 Zn3 - Comments: Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals 13(8) (2023) 1266 Space group: C 1 2/c 1 Cell volume: 9490.1 Cell parameters: 11.4402; 30.8405; 27.0931; 90; 96.884; 90; |
COD ID: 1569805 | |
CIF file | Formula: - C296 H184 N8 O48 Zn8 - Comments: Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals 13(8) (2023) 1266 Space group: P 1 21/c 1 Cell volume: 21346 Cell parameters: 16.3093; 27.4589; 48.052; 90; 97.288; 90; |
COD ID: 1569806 | |
CIF file | Formula: - C92 H112 N2 O12 Zn3 - Comments: Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization Crystals 13(8) (2023) 1226 Space group: P -1 Cell volume: 1981.6 Cell parameters: 12.2791; 12.5594; 14.265; 92.774; 115.24; 92.827; |
COD ID: 1569807 | |
CIF file | Formula: - C124 H148 Cu3 N6 O14 - Comments: Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization Crystals 13(8) (2023) 1226 Space group: P -1 Cell volume: 2733.2 Cell parameters: 13.2103; 13.8734; 16.6325; 102.709; 111.677; 92.99; |
COD ID: 1569808 | |
CIF file | Formula: - C16 H17 Cd N9 O S2 - Comments: Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker Crystals 13(8) (2023) 1198 Space group: P b c a Cell volume: 4204.5 Cell parameters: 14.6614; 15.9147; 18.0194; 90; 90; 90; |
COD ID: 1569809 | |
CIF file | Formula: - C14 H17 Cd Cl N10 O - Comments: Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker Crystals 13(8) (2023) 1198 Space group: P -1 Cell volume: 944.1 Cell parameters: 9.323; 10.936; 11.312; 112.637; 104.547; 105.133; |
COD ID: 1569810 | |
CIF file | Formula: - C22 H17 Cl2 F6 N3 O3 - Comments: Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals 13(8) (2023) 1241 Space group: P -1 Cell volume: 2400.6 Cell parameters: 9.5129; 15.13; 17.615; 72.469; 83.305; 89.077; |
COD ID: 1569811 | |
CIF file | Formula: - C22 H17 Cl2 F6 N3 O3 - Comments: Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals 13(8) (2023) 1241 Space group: P 1 21/c 1 Cell volume: 4555.6 Cell parameters: 9.0555; 39.923; 12.6015; 90; 90.376; 90; |
COD ID: 1569812 | |
CIF file | Formula: - C22 H17 Cl2 F6 N3 O3 - Comments: Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals 13(8) (2023) 1241 Space group: P c a 21 Cell volume: 2289.7 Cell parameters: 12.6058; 20.0622; 9.0538; 90; 90; 90; |
COD ID: 1569813 | |
CIF file | Formula: - Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 - Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290 Space group: R 3 m :H Cell volume: 1541.94 Cell parameters: 15.8313; 15.8313; 7.104; 90; 90; 120; |
COD ID: 1569814 | |
CIF file | Formula: - Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 - Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290 Space group: R 3 m :H Cell volume: 1554.82 Cell parameters: 15.8839; 15.8839; 7.116; 90; 90; 120; |
COD ID: 1569815 | |
CIF file | Formula: - Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 - Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290 Space group: R 3 m :H Cell volume: 1542.54 Cell parameters: 15.8345; 15.8345; 7.1039; 90; 90; 120; |
COD ID: 1569816 | |
CIF file | Formula: - Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 - Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290 Space group: R 3 m :H Cell volume: 1552.41 Cell parameters: 15.874; 15.874; 7.1138; 90; 90; 120; |
COD ID: 1569817 | |
CIF file | Formula: - C7 H14 N8 O4 S - Comments: Moskalenko, Ivan V.; Shilovskikh, Vladimir V.; Nesterov, Pavel V.; Novikov, Alexander S.; Omarova, Malika; Sadovnichii, Roman V.; Gurzhiy, Vladislav V.; Orekhov, Nikita D.; Skorb, Ekaterina V. Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies Crystals 13(9) (2023) 1302 Space group: P 1 21/c 1 Cell volume: 1295.19 Cell parameters: 10.7987; 17.7255; 6.76698; 90; 90.698; 90; |
COD ID: 1569818 | |
CIF file | Formula: - C15 H14 N O3 Sb - Comments: Knerr, Steven; Böhme, Uwe; Herbig, Marcus Coordinative Unsaturation in an Antimony(III)-Complex with the 2-Salicylidenaminophenolato Ligand: Synthesis, Crystal Structure, Spectroscopic Analysis, and DFT Studies Crystals 13(9) (2023) 1300 Space group: P 1 21/c 1 Cell volume: 1353.35 Cell parameters: 10.8915; 16.5156; 7.7866; 90; 104.932; 90; |
COD ID: 1570054 | |
CIF file | Formula: - O25 P6 Pb10 - Comments: Krivovichev, Sergey V.; Engel, Günther The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure Crystals 13(9) (2023) 1371 Space group: P -3 Cell volume: 1237.06 Cell parameters: 9.8109; 9.8109; 14.8403; 90; 90; 120; |
COD ID: 1570247 | |
CIF file | Formula: - C18 H14 N4 O - Comments: Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals 13(11) (2023) 1537 Space group: P 21 21 21 Cell volume: 1407.63 Cell parameters: 5.0471; 12.5114; 22.2915; 90; 90; 90; |
COD ID: 1570248 | |
CIF file | Formula: - C18 H12 N4 O2 - Comments: Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals 13(11) (2023) 1537 Space group: P 1 21/c 1 Cell volume: 1456.1 Cell parameters: 14.9862; 4.8641; 20.3991; 90; 101.697; 90; |
COD ID: 1570249 | |
CIF file | Formula: - C15 H12 N2 O3 - Comments: Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals 13(11) (2023) 1537 Space group: P 1 21/c 1 Cell volume: 1266.93 Cell parameters: 15.34; 5.0292; 16.7042; 90; 100.545; 90; |
COD ID: 1570250 | |
CIF file | Formula: - C20 H14 N2 O3 - Comments: Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals 13(11) (2023) 1537 Space group: P 1 21/n 1 Cell volume: 1600.77 Cell parameters: 16.89752; 5.76627; 17.97633; 90; 113.947; 90; |
COD ID: 1570517 | |
CIF file | Formula: - C28 H32 Fe N12 Ni - Comments: Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives Crystals 13(12) (2023) 1658 Space group: P -1 Cell volume: 798.42 Cell parameters: 8.8641; 10.0807; 10.235; 106.771; 105.118; 103.206; |
COD ID: 1570518 | |
CIF file | Formula: - C44 H40 Fe N12 Ni - Comments: Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives Crystals 13(12) (2023) 1658 Space group: P -1 Cell volume: 1044.6 Cell parameters: 9.4355; 9.9756; 12.5092; 98.322; 93.508; 115.15; |
COD ID: 1570519 | |
CIF file | Formula: - C14 H16 Fe N8 Ni - Comments: Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives Crystals 13(12) (2023) 1658 Space group: C 1 2/m 1 Cell volume: 868.6 Cell parameters: 16.452; 7.273; 7.423; 90; 102.055; 90; |
COD ID: 1570568 | |
CIF file | Formula: - Dy2 O5 Si - Comments: Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 863.89 Cell parameters: 10.4642; 6.74981; 12.5396; 90; 102.739; 90; |
COD ID: 1570569 | |
CIF file | Formula: - Dy2 O5 Si - Comments: Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 863.37 Cell parameters: 10.4617; 6.74837; 12.5382; 90; 102.748; 90; |
COD ID: 1570570 | |
CIF file | Formula: - Er2 O5 Si - Comments: Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 845.62 Cell parameters: 10.369; 6.7028; 12.464; 90; 102.533; 90; |
COD ID: 1570571 | |
CIF file | Formula: - Ho2 O5 Si - Comments: Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 854.8 Cell parameters: 10.4156; 6.7273; 12.5019; 90; 102.63; 90; |
COD ID: 1570706 | |
CIF file | Formula: - Bi6 O15 Te2 - Comments: Kim, Sun Woo; Chang, Hong Young Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15 Crystals 14(1) (2023) 23 Space group: P n m a Cell volume: 1293.2 Cell parameters: 10.5831; 22.694; 5.3843; 90; 90; 90; |
COD ID: 1570707 | |
CIF file | Formula: - K Na O4 S - Comments: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals 14(1) (2023) 27 Space group: P -3 m 1 Cell volume: 206.75 Cell parameters: 5.6914; 5.6914; 7.37; 90; 90; 120; |
COD ID: 1570708 | |
CIF file | Formula: - K Na O4 S - Comments: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals 14(1) (2023) 27 Space group: P 63/m m c Cell volume: 215.7 Cell parameters: 5.669; 5.669; 7.75; 90; 90; 120; |
COD ID: 1570709 | |
CIF file | Formula: - K Na O4 S - Comments: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals 14(1) (2023) 27 Space group: P 63/m m c Cell volume: 231.25 Cell parameters: 5.654; 5.654; 8.353; 90; 90; 120; |
COD ID: 1570896 | |
CIF file | Formula: - C30 H43 Br2 Co N8 O8 - Comments: Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6 Crystals 14(1) (2024) 87 Space group: P -1 Cell volume: 924.3 Cell parameters: 8.566; 9.831; 11.508; 75.764; 79.755; 88.092; |
COD ID: 1570897 | |
CIF file | Formula: - C30 H43 Br2 Co N8 O8 - Comments: Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6 Crystals 14(1) (2024) 87 Space group: P -1 Cell volume: 936.8 Cell parameters: 8.724; 9.687; 11.556; 77.799; 78.954; 88.451; |
COD ID: 1571107 | |
CIF file | Formula: - C32 H16 Ga N8 O0.5 - Comments: Zugenmaier, Peter Crystal and Molecular Structures of Two Phthalocyanines, Chloro(phthalocyaninato)gallium(III) (ClGaPc) and µ-Oxobis(phthalocyaninato)gallium(III) (PcGaOGaPc) Crystals 14(2) (2024) 182 Space group: P -1 Cell volume: 1245.9 Cell parameters: 7.848; 12.529; 12.72; 91.03; 94.94; 89.98; |
COD ID: 1571108 | |
CIF file | Formula: - C28 H25 B Cu F4 N6 P - Comments: Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations Crystals 14(2) (2024) 162 Space group: P 1 21/c 1 Cell volume: 2837.2 Cell parameters: 11.9442; 15.5313; 15.9059; 90; 105.945; 90; |
COD ID: 1571109 | |
CIF file | Formula: - Al F5 Fe H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: C 1 2/m 1 Cell volume: 967.26 Cell parameters: 10.918; 13.802; 6.521; 90; 100.154; 90; |
COD ID: 1571110 | |
CIF file | Formula: - Al Co F5 H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: C 1 2/m 1 Cell volume: 956.7 Cell parameters: 10.8749; 13.7822; 6.4894; 90; 100.397; 90; |
COD ID: 1571111 | |
CIF file | Formula: - Al F5 H14 Ni O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: C 1 2/m 1 Cell volume: 938.82 Cell parameters: 10.788; 13.6952; 6.4554; 90; 100.151; 90; |
COD ID: 1571112 | |
CIF file | Formula: - Al F5 Fe H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: P -1 Cell volume: 476.05 Cell parameters: 6.4864; 8.719; 8.7917; 103.834; 96.364; 95.4; |
COD ID: 1571113 | |
CIF file | Formula: - Al Co F5 H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: P -1 Cell volume: 470.08 Cell parameters: 6.4434; 8.6691; 8.8031; 104.019; 96.749; 95.254; |
COD ID: 1571114 | |
CIF file | Formula: - Al F5 H14 Ni O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: P -1 Cell volume: 460.96 Cell parameters: 6.4022; 8.5874; 8.7691; 104.255; 96.638; 94.816; |
COD ID: 1571115 | |
CIF file | Formula: - C H8 Mg N2 O7 S - Comments: Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O Crystals 14(3) (2024) 227 Space group: P -1 Cell volume: 367.38 Cell parameters: 5.214; 7.7014; 10.4275; 68.758; 77.177; 71.498; |
COD ID: 1571116 | |
CIF file | Formula: - C H10 Mg N2 O8 S - Comments: Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O Crystals 14(3) (2024) 227 Space group: P 1 21 1 Cell volume: 412.44 Cell parameters: 5.2452; 7.708; 10.23; 90; 94.291; 90; |
COD ID: 1571376 | |
CIF file | Formula: - C24 H28 Mn N4 O5 - Comments: Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals 14(4) (2024) 318 Space group: P b c n Cell volume: 2369.9 Cell parameters: 19.2401; 12.1579; 10.1312; 90; 90; 90; |
COD ID: 1571377 | |
CIF file | Formula: - C18 H26 Cu N4 O4 - Comments: Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals 14(4) (2024) 318 Space group: P b c n Cell volume: 1900.96 Cell parameters: 15.6899; 10.7161; 11.3062; 90; 90; 90; |
COD ID: 1571378 | |
CIF file | Formula: - C7 H7 F3 N4 O2 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P 1 21/m 1 Cell volume: 448.82 Cell parameters: 5.0459; 9.373; 9.5454; 90; 96.187; 90; |
COD ID: 1571379 | |
CIF file | Formula: - C5 H6 Cl2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 836.3 Cell parameters: 8.71; 6.292; 15.26; 90; 90; 90; |
COD ID: 1571380 | |
CIF file | Formula: - C5 H6 Br2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 891.6 Cell parameters: 8.924; 6.3937; 15.626; 90; 90; 90; |
COD ID: 1571381 | |
CIF file | Formula: - C5 H6 Cl2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 812.72 Cell parameters: 8.6664; 6.2964; 14.894; 90; 90; 90; |
COD ID: 1571382 | |
CIF file | Formula: - C5 H6 Br2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 874.92 Cell parameters: 8.943; 6.4316; 15.2113; 90; 90; 90; |
COD ID: 1571383 | |
CIF file | Formula: - C6 H7 Cl2 Cu N3 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P 1 21/n 1 Cell volume: 852.86 Cell parameters: 8.3731; 10.9315; 9.5637; 90; 103.022; 90; |
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