Crystallography Open Database
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Searching journal of publication like 'Crystals'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1571384 | CIF | C5 H6 Cl2 Cu N4 | P 1 21/n 1 | 8.4622; 10.6392; 9.6678 90; 99.036; 90 | 859.6 | Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals, 2024, 14, 319 |
| 1571385 | CIF | C33 H27 F4 Ir N4 O4.25 | P -1 | 12.0056; 13.9227; 21.5251 84.548; 81.768; 87.722 | 3543.5 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571386 | CIF | C28.5 H19 Cl F4 Ir N4 O2.5 | P 1 21/c 1 | 20.1167; 16.8038; 17.1342 90; 107.127; 90 | 5535.1 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571387 | CIF | C30 H25 Cl4 Ir N4 O3 | P 1 21 1 | 9.3656; 16.9853; 9.5139 90; 91.2046; 90 | 1513.11 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571388 | CIF | C30 H25 Cl4 Ir N4 O2 | P 1 21 1 | 9.3682; 16.9395; 9.4088 90; 91.347; 90 | 1492.69 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571389 | CIF | C27 H15 F4 Ir N4 O2 | P -1 | 8.815; 12.0339; 22.3146 87.528; 79.542; 89.854 | 2325.6 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571390 | CIF | C31 H20 Cl2 F10 Ir N6 P | P 1 21/c 1 | 9.6985; 24.7164; 13.7261 90; 93.775; 90 | 3283.2 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571391 | CIF | C32.5 H24 Cl F10 Ir N6 O0.5 P | P -1 | 13.8002; 14.3504; 17.3147 72.193; 89.145; 89.584 | 3264.3 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571392 | CIF | C37 H32 Cl2 F10 Ir N6 P | P -1 | 8.6227; 13.5061; 16.6738 104.272; 94.651; 90.132 | 1875.2 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571393 | CIF | C30 H22 F6 Ir N6 P | P b c a | 10.8324; 16.0987; 31.5748 90; 90; 90 | 5506.3 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
| 1571551 | CIF | C30 H26.66667 Cl2 Mn N6 O15.33333 | P 1 21/n 1 | 21.266; 19.1361; 25.447 90; 90.517; 90 | 10355.2 | Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations Crystals, 2024, 14, 422 |
| 1571552 | CIF | C30 H26.666667 Cl2 Mn N6 O15.33333 | P 1 21/n 1 | 21.302; 19.101; 25.487 90; 90.354; 90 | 10370 | Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations Crystals, 2024, 14, 422 |
| 1572291 | CIF | C11 H16 O | P -3 | 24.1786; 24.1786; 8.9518 90; 90; 120 | 4532.14 | Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety Crystals, 2024, 14, 642 |
| 1572292 | CIF | C17 H28 O | P -1 | 13.1947; 13.6034; 18.7383 89.584; 76.961; 86.63 | 3270.94 | Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety Crystals, 2024, 14, 642 |
| 1572293 | CIF | C17 H26 O | P 1 21/n 1 | 5.921; 20.42; 13.5 90; 93.11; 90 | 1629.8 | Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety Crystals, 2024, 14, 642 |
| 1572294 | CIF | C21 H24 N O6 P3 | P 3 c 1 | 9.3792; 9.3792; 15.6549 90; 90; 120 | 1192.65 | Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals, 2024, 14, 662 |
| 1572295 | CIF | C21 H24 N O6 P3 | R 3 c :H | 18.2554; 18.2554; 11.4177 90; 90; 120 | 3295.28 | Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals, 2024, 14, 662 |
| 1572296 | CIF | C30 H48 N O6 P3 Si3 | R -3 :H | 12.1818; 12.1818; 92.431 90; 90; 120 | 11878.8 | Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals, 2024, 14, 662 |
| 1572297 | CIF | C18 H25 N3 O4 S | P 21 21 21 | 7.1146; 11.2314; 24.3877 90; 90; 90 | 1948.75 | Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts Crystals, 2024, 14, 670 |
| 1572298 | CIF | C20 H29 N3 O4 S | P 1 21/c 1 | 6.883; 7.1512; 43.1607 90; 93.68; 90 | 2120.06 | Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts Crystals, 2024, 14, 670 |
| 1572510 | CIF | C10 H12 N6 O5 | P 1 21/n 1 | 6.54619; 12.52881; 15.12082 90; 92.4078; 90 | 1239.05 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572511 | CIF | C10 H9 Cl N6 O4 | P 1 21/c 1 | 9.83584; 15.2908; 8.52118 90; 112.316; 90 | 1185.58 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572512 | CIF | C11 H10 N8 O4 | P 1 21/n 1 | 9.3148; 14.8388; 9.4812 90; 108.486; 90 | 1242.88 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572513 | CIF | C14 H17 N16 O5.5 | C 1 2/c 1 | 25.774; 6.56343; 26.4567 90; 116.307; 90 | 4012.05 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572514 | CIF | C10 H10 N4 O4 S | P 1 21/n 1 | 10.9538; 3.79977; 27.193 90; 96.586; 90 | 1124.36 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572515 | CIF | C10 H9 Cl N4 O4 S | P 1 21/n 1 | 10.2509; 4.64879; 27.0791 90; 91.446; 90 | 1290.02 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572516 | CIF | C10 H10 N4 O4 S2 | C 1 c 1 | 4.20086; 21.3241; 13.9944 90; 91.394; 90 | 1253.24 | Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals, 2024, 14, 733 |
| 1572517 | CIF | C25 H21 Co1.5 N6 O4 | C 1 2/c 1 | 23.741; 12.626; 19.3 90; 108.642; 90 | 5482 | Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals, 2024, 14, 731 |
| 1572518 | CIF | C20.67 H14 Co N4 O2.67 | P 3 | 11.6083; 11.6083; 13.5342 90; 90; 120 | 1579.4 | Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals, 2024, 14, 731 |
| 1572519 | CIF | C12 H9 Co0.75 N2 O2 | P -4 21 c | 12.2559; 12.2559; 15.4132 90; 90; 90 | 2315.2 | Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals, 2024, 14, 731 |
| 1572810 | CIF | Ag0.33 Pb0.33 Sb0.33 Se | F m -3 m | 5.9268; 5.9268; 5.9268 90; 90; 90 | 208.19 | Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals, 2024, 14, 789 |
| 1572811 | CIF | Ag0.38 Pb0.25 Sb2.38 Te4 | R -3 m :H | 4.2887; 4.2887; 41.544 90; 90; 120 | 661.74 | Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals, 2024, 14, 789 |
| 1572812 | CIF | Ag0.61 Pb1.79 Sb2.61 Se6 | C m c m | 4.2118; 13.859; 20.862 90; 90; 90 | 1217.74 | Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals, 2024, 14, 789 |
| 1573845 | CIF | C62 H46 Co N2 P2 S4 | P -1 | 14.0437; 22.4513; 26.2961 88.93; 78.425; 87.578 | 8114.8 | Costa, António G.; Lopes, Gonçalo; Rodrigues, João F. G.; Santos, Isabel C.; Simão, Dulce; Lopes, Elsa B.; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cobalt and Iron Cyano Benzene Bis(Dithiolene) Complexes Crystals, 2024, 14, 469 |
| 1575323 | CIF | C13 H12 N2 O5 S | C 1 c 1 | 5.171; 12.9028; 19.7324 90; 94.42; 90 | 1312.64 | Oblazny, Mark; Hamaker, Christhoper G. Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives Crystals, 2025, 15, 673 |
| 1575324 | CIF | C13 H12 N2 O5 S | P 1 21/c 1 | 20.5686; 5.1731; 13.0803 90; 107.76; 90 | 1325.46 | Oblazny, Mark; Hamaker, Christhoper G. Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives Crystals, 2025, 15, 673 |
| 1575325 | CIF | C13 H12 N2 O5 S | P 1 21/c 1 | 12.0195; 7.2684; 15.0297 90; 91.529; 90 | 1312.57 | Oblazny, Mark; Hamaker, Christhoper G. Structural Comparison of Three N-(4-Methoxyphenyl)-Nitrobenzenesulfonamide Derivatives Crystals, 2025, 15, 673 |
| 1575326 | CIF | C19 H26 Cu N2 O4 | C 1 2/c 1 | 10.9402; 12.2115; 15.0631 90; 107.479; 90 | 1919.46 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575327 | CIF | C37 H43 Cl15 Cu2 N2 O8 | P -1 | 9.1804; 11.2336; 13.2041 78.857; 86.404; 86.933 | 1332.2 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575328 | CIF | C22 H24 Cu N2 O4 | P -1 | 8.2115; 8.6888; 8.7538 69.733; 62.251; 76.494 | 516.55 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575329 | CIF | C15 H18 Br Cu N O4 | P -1 | 8.6807; 10.2923; 11.4344 112.053; 110.583; 96.89 | 848.22 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575330 | CIF | C54 H62 Cu3 N4 O12 | P -1 | 12.453; 14.0998; 15.3886 88.207; 74.608; 89.364 | 2603.8 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575331 | CIF | C20 H22 Cu N2 O4 | P 1 21 1 | 11.1929; 14.2606; 11.9295 90; 92.691; 90 | 1902.06 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575332 | CIF | C15 H19 Cu N O4 | P -1 | 7.7444; 8.1821; 13.736 93.956; 98.174; 117.644 | 754.1 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575333 | CIF | C16 H21 Cu N O4 | C 1 2/m 1 | 21.7043; 9.5368; 17.9698 90; 116.627; 90 | 3325.08 | Mensing, Luca; Schäfer, Tim; Layh, Marcus; Hebenbrock, Marian Gone with the Wind—Adducts of Volatile Pyridine Derivatives and Copper(II) Acetylacetonate Crystals, 2025, 15, 690 |
| 1575334 | CIF | C16 H10 | P 1 21/n 1 | 18.373; 6.2292; 19.881 90; 109.964; 90 | 2138.6 | Karabinaki, Olga; Papastylianos, Stylianos; Padrón, Nayra Machín; Hatzidimitriou, Antonios; Christofilos, Dimitrios; Arvanitidis, John Pressure Response of Crystalline Fluoranthene Probed by Raman Spectroscopy Crystals, 2025, 15, 697 |
| 1575335 | CIF | C21 H17 N3 | P -1 | 6.1325; 8.2667; 16.0523 86.829; 82.507; 84.603 | 802.49 | Sedykh, Alexander; Zhernakov, Maksim; Becker, Mariia; Kurth, Dirk G.; Müller-Buschbaum, Klaus Crystal Structure of 4′-Phenyl-1′,4′-Dihydro-2,2′:6′,2″-Terpyridine: An Intermediate from the Synthesis of Phenylterpyridine Crystals, 2025, 15, 619 |
| 1575956 | CIF | C64 H86 N4 Zn | P 1 21/n 1 | 20.713; 23.02; 24.728 90; 97.655; 90 | 11685.6 | Noor, Awal; Qayyum, Sadaf Structural Characteristics of Homoleptic Zinc Complexes Incorporating Asymmetric Aminopyridinates Crystals, 2025, 15, 821 |
| 1575957 | CIF | C50 H58 N4 Zn | P -1 | 10.224; 10.879; 20.759 82.3; 86.28; 64.44 | 2064.1 | Noor, Awal; Qayyum, Sadaf Structural Characteristics of Homoleptic Zinc Complexes Incorporating Asymmetric Aminopyridinates Crystals, 2025, 15, 821 |
| 3000098 | CIF | B2 Ba O4 | R 3 c :H | 12.5269; 12.5269; 12.7181 90; 90; 120 | 1728.38 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000099 | CIF | B2 Ba O4 | R 3 c :H | 12.5517; 12.5517; 12.985 90; 90; 120 | 1771.6 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000100 | CIF | B2 Ba O4 | R 3 c :H | 12.5806; 12.5806; 12.7947 90; 90; 120 | 1753.7 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000101 | CIF | B2 Ba O4 | R 3 c :H | 12.5685; 12.5685; 12.7714 90; 90; 120 | 1747.2 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000102 | CIF | B2 Ba O4 | R 3 c :H | 12.582; 12.582; 12.7519 90; 90; 120 | 1748.3 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000103 | CIF | B2 Ba O4 | R 3 c :H | 12.5828; 12.5828; 12.7291 90; 90; 120 | 1745.4 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000104 | CIF | B2 Ba O4 | R 3 c :H | 12.5868; 12.5868; 12.709 90; 90; 120 | 1743.7 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000105 | CIF | B2 Ba O4 | R 3 c :H | 12.5761; 12.5761; 12.6453 90; 90; 120 | 1732.02 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000106 | CIF | B2 Ba O4 | R -3 c :H | 7.242; 7.242; 39.25 90; 90; 120 | 1783 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000107 | CIF | B2 Ba O4 | R -3 c :H | 7.227; 7.227; 39.031 90; 90; 120 | 1765 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000108 | CIF | Al2 B2 K2 O7 | P 3 2 1 | 8.555; 8.555; 8.443 90; 90; 120 | 535.14 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000109 | CIF | Al2 B2 K2 O7 | P 3 2 1 | 8.5592; 8.5592; 8.4485 90; 90; 120 | 536.01 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000110 | CIF | Al2 B2 K2 O7 | P 3 2 1 | 8.5852; 8.5852; 8.4855 90; 90; 120 | 541.64 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000111 | CIF | Al2 B2 K2 O7 | P 3 2 1 | 8.5683; 8.5683; 8.4633 90; 90; 120 | 538.1 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000112 | CIF | Al2 B2 K2 O7 | P 3 2 1 | 8.5843; 8.5843; 8.486 90; 90; 120 | 541.56 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000113 | CIF | Al2 B2 K2 O7 | P 3 2 1 | 8.5987; 8.5987; 8.5052 90; 90; 120 | 544.6 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000114 | CIF | B3 Li O5 | P n a 21 | 8.478; 7.398; 5.22 90; 90; 90 | 327.4 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000115 | CIF | B3 Li O5 | P n a 21 | 8.4386; 7.3725; 5.1954 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000116 | CIF | B3 Li O5 | P n a 21 | 8.4524; 7.3868; 5.202 90; 90; 90 | 324.79 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000117 | CIF | B3 Li O5 | P n a 21 | 8.4437; 7.377; 5.189 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000118 | CIF | B3 Li O5 | P n a 21 | 8.501; 7.4043; 5.211 90; 90; 90 | 328 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000119 | CIF | B3 Li O5 | P n a 21 | 8.446; 7.3749; 5.175 90; 90; 90 | 322.34 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000120 | CIF | B3 Li O5 | P n a 21 | 8.4605; 7.3809; 5.1703 90; 90; 90 | 322.87 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000121 | CIF | B3 Li O5 | P n a 21 | 8.4453; 7.3653; 5.1564 90; 90; 90 | 320.74 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000122 | CIF | B3 Li O5 | P n a 21 | 8.5109; 7.4112; 5.173 90; 90; 90 | 326.29 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000167 | CIF | Al D5 Sr | P b c m | 4.6226; 12.6213; 5.0321 90; 90; 90 | 293.59 | Sato, Toyoto; Takagi, Shigeyuki; Sorby, Magnus H.; Deledda, Stefano; Hauback, Bjorn C.; Orimo, Shin-ichi Crystal Structural Determination of SrAlD5 with Corner-sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction Crystals, 2018, 8, 89 |
| 3000245 | CIF | C18 H18 Ag2 Fe N6 | P 1 21/c 1 | 10.0093; 15.0039; 14.8435 90; 91.439; 90 | 2228.5 | Rodriguez Velamazan Structural Insights into the Two-Step Spin-Crossover Compound Fe(3,4-dimethyl-pyridine)2[Ag(CN)2]2 Crystals, 2019, 316 |
| 3000295 | CIF | Ag Cr P2 S6 | P 1 2/a 1 | 5.88318; 10.6214; 6.745 90; 106.043; 90 | 405.07 | Selter, Sebastian; Shemerliuk, Yuliia; Buechner, Bernd; Aswartham, Saicharan Crystal Growth of the Quasi-2D Quarternary Compound Ag Cr P2 S6 by Chemical Vapor Transport Crystals, 2021, 11, 500 |
| 9017428 | CIF | Fe Se2 | P n n m | 4.804; 5.781; 3.5817 90; 90; 90 | 99.471 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa Crystals, 2018, 8 |
| 9017429 | CIF | Fe Se2 | P n n m | 4.771; 5.756; 3.5663 90; 90; 90 | 97.937 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa Crystals, 2018, 8 |
| 9017430 | CIF | Fe Se2 | P n n m | 4.751; 5.729; 3.5467 90; 90; 90 | 96.536 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa Crystals, 2018, 8 |
| 9017431 | CIF | Fe Se2 | P n n m | 4.698; 5.667; 3.5088 90; 90; 90 | 93.417 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa Crystals, 2018, 8 |
| 9017432 | CIF | Fe Se2 | P n n m | 4.603; 5.581; 3.4492 90; 90; 90 | 88.608 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa Crystals, 2018, 8 |
| 9017433 | CIF | Fe Se2 | P n n m | 4.555; 5.524; 3.409 90; 90; 90 | 85.777 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa Crystals, 2018, 8 |
| 9017434 | CIF | Fe Se2 | P n n m | 4.488; 5.471; 3.3734 90; 90; 90 | 82.83 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa Crystals, 2018, 8 |
| 9017435 | CIF | Fe Se2 | P n n m | 4.404; 5.391; 3.3185 90; 90; 90 | 78.788 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa Crystals, 2018, 8 |
| 9017436 | CIF | Fe Se2 | P n n m | 4.7885; 5.7782; 3.5821 90; 90; 90 | 99.113 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017437 | CIF | Fe Se2 | P n n m | 4.7893; 5.7775; 3.5795 90; 90; 90 | 99.045 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017438 | CIF | Fe Se2 | P n n m | 4.7834; 5.7767; 3.5789 90; 90; 90 | 98.893 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017439 | CIF | Fe Se2 | P n n m | 4.751; 5.723; 3.5501 90; 90; 90 | 96.527 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa Crystals, 2018, 8 |
| 9017440 | CIF | Fe Se2 | P n n m | 4.7446; 5.772; 3.5512 90; 90; 90 | 97.253 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa Crystals, 2018, 8 |
| 9017905 | CIF | C4 H6 N4 O3 | P 1 21/c 1 | 8.0004; 5.1487; 14.7501 90; 92.908; 90 | 606.799 | Xu, B.; Sung, C.; Han, B. Crystal structure characterization of natural allantoin from edible lichen Umbilicaria esculenta Note: T = 232 K Crystals, 2011, 1, 128-135 |
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