Crystallography Open Database
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Searching journal of publication like 'Crystals'
COD ID  |
Links | Formula |
Space group  |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1569813 | CIF | Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 | R 3 m :H | 15.8313; 15.8313; 7.104 90; 90; 120 | 1541.94 | 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, 2023, 13, 1290 |
| 1569814 | CIF | Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 | R 3 m :H | 15.8839; 15.8839; 7.116 90; 90; 120 | 1554.82 | 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, 2023, 13, 1290 |
| 1569815 | CIF | Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 | R 3 m :H | 15.8345; 15.8345; 7.1039 90; 90; 120 | 1542.54 | 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, 2023, 13, 1290 |
| 1569816 | CIF | Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 | R 3 m :H | 15.874; 15.874; 7.1138 90; 90; 120 | 1552.41 | 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, 2023, 13, 1290 |
| 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 |
| 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 |
| 1569629 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5443; 9.5443; 7.5603 90; 90; 120 | 596.428 | 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, 2023, 13, 1128 |
| 1569630 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.543; 9.543; 7.5634 90; 90; 120 | 596.51 | 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, 2023, 13, 1128 |
| 1569631 | CIF | Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 | R 3 2 :H | 9.5435; 9.5435; 7.5628 90; 90; 120 | 596.525 | 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, 2023, 13, 1128 |
| 1569632 | CIF | Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 | R 3 2 :H | 9.5534; 9.5534; 7.5767 90; 90; 120 | 598.862 | 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, 2023, 13, 1128 |
| 1569633 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5329; 9.5329; 7.5553 90; 90; 120 | 594.61 | 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, 2023, 13, 1128 |
| 1569634 | CIF | B4 Bi0.05 Fe3 O12 Sm0.95 | R 3 2 :H | 9.565; 9.565; 7.5869 90; 90; 120 | 601.125 | 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, 2023, 13, 1128 |
| 1569635 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5443; 9.5443; 7.5598 90; 90; 120 | 596.388 | 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, 2023, 13, 1128 |
| 1569636 | CIF | Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 | R 3 2 :H | 9.5595; 9.5595; 7.5816 90; 90; 120 | 600.015 | 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, 2023, 13, 1128 |
| 1569637 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5444; 9.5444; 7.5601 90; 90; 120 | 596.424 | 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, 2023, 13, 1128 |
| 1569638 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5439; 9.5439; 7.5624 90; 90; 120 | 596.543 | 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, 2023, 13, 1128 |
| 1569639 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5443; 9.5443; 7.5632 90; 90; 120 | 596.657 | 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, 2023, 13, 1128 |
| 1569640 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5452; 9.5452; 7.568 90; 90; 120 | 597.148 | 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, 2023, 13, 1128 |
| 1569641 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5438; 9.5438; 7.5616 90; 90; 120 | 596.468 | 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, 2023, 13, 1128 |
| 1569642 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5441; 9.5441; 7.5621 90; 90; 120 | 596.545 | 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, 2023, 13, 1128 |
| 1569643 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.544; 9.544; 7.561 90; 90; 120 | 596.445 | 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, 2023, 13, 1128 |
| 1569644 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.545; 9.545; 7.5598 90; 90; 120 | 596.476 | 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, 2023, 13, 1128 |
| 1569645 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5446; 9.5446; 7.5602 90; 90; 120 | 596.457 | 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, 2023, 13, 1128 |
| 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 |
| 1520321 | CIF | B Ga O3 | R -3 c :H | 4.5659; 4.5659; 14.1764 90; 90; 120 | 255.947 | Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3 Crystals, 2015, 5, 252 |
| 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 |
| 1508370 | CIF | C5 H19.47 N2 O5.24 P | R -3 :H | 31.075; 31.075; 6.1875 90; 90; 120 | 5174.5 | 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, 2011, 1, 236-243 |
| 1508387 | CIF | Lu20 Ru11 | R -3 :H | 12.5514; 12.5514; 29.73 90; 90; 120 | 4056.1 | Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms Crystals, 2012, 2, 704-709 |
| 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 |
| 1559471 | CIF | Bi6 Br7 | P n n m | 15.4996; 23.6435; 9.0231 90; 90; 90 | 3306.65 | Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N. Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective Crystals, 2020, 10, 940 |
| 1566037 | CIF | Ca7 Mg O16 Si4 | P n n m | 18.3434; 6.7313; 10.8844 90; 90; 90 | 1344 | Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite Crystals, 2020, 11, 14 |
| 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 |
| 1508408 | CIF | Ba Lu2 S4 | P n m a | 12.1143; 3.9556; 14.2781 90; 90; 90 | 684.2 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
| 1508409 | CIF | Ba Lu2 Se4 | P n m a | 12.6132; 4.1089; 14.8774 90; 90; 90 | 771.04 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
| 1508410 | CIF | Ba Lu2 Te4 | P n m a | 13.5358; 4.3847; 15.9362 90; 90; 90 | 945.82 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
| 1508443 | CIF | As6 Ga3 Na8 Rb | P n m a | 22.843; 4.7892; 16.861 90; 90; 90 | 1844.6 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
| 1508444 | CIF | Ga3 Na8 P6 Rb | P n m a | 22.276; 4.6947; 16.356 90; 90; 90 | 1710.5 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
| 1508453 | CIF | C16 H10 Au N4 S6 Se2 | P n m a | 42.054; 12.3735; 4.276 90; 90; 90 | 2225 | 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, 2012, 2, 393-412 |
| 1540501 | CIF | As3 Ga Sr3 | P n m a | 12.757; 19.268; 6.503 90; 90; 90 | 1598.4 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540503 | CIF | As3 Ba3 Ga | P n m a | 13.3589; 19.9788; 6.8008 90; 90; 90 | 1815.1 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1570706 | CIF | Bi6 O15 Te2 | P n m a | 10.5831; 22.694; 5.3843 90; 90; 90 | 1293.2 | Kim, Sun Woo; Chang, Hong Young Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15 Crystals, 2023, 14, 23 |
| 1571379 | CIF | C5 H6 Cl2 Cu N4 | P n m a | 8.71; 6.292; 15.26 90; 90; 90 | 836.3 | 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 |
| 1571380 | CIF | C5 H6 Br2 Cu N4 | P n m a | 8.924; 6.3937; 15.626 90; 90; 90 | 891.6 | 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 |
| 1571381 | CIF | C5 H6 Cl2 Cu N4 | P n m a | 8.6664; 6.2964; 14.894 90; 90; 90 | 812.72 | 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 |
| 1571382 | CIF | C5 H6 Br2 Cu N4 | P n m a | 8.943; 6.4316; 15.2113 90; 90; 90 | 874.92 | 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 |
| 1508372 | CIF | C14 H9 F N2 O S | P n a 21 | 22.43; 8.1478; 13.522 90; 90; 90 | 2471.2 | Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 254-259 |
| 1508479 | CIF | C15 H15 N O S | P n a 21 | 9.208; 14.0485; 10.3826 90; 90; 90 | 1343.08 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 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 |
| 1568587 | CIF | Cl2 Cu H4 O2 | P m n a | 8.0553; 3.7295; 7.3674 90; 90; 90 | 221.333 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
| 1568588 | CIF | Cl2 Cu H4 O2 | P m n a | 8.0405; 3.7238; 7.3585 90; 90; 90 | 220.32 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
| 1508418 | CIF | Ba8 Ga14.5 Sn31.5 | P m -3 n | 11.68; 11.68; 11.68 90; 90; 90 | 1593.4 | 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, 2012, 1, 145-162 |
| 1549467 | CIF | C2 H3 Na O2 | P c c a | 5.9482; 10.0866; 5.8984 90; 90; 90 | 353.89 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1566042 | CIF | C54 H36 F9 N2 O6 Pr | P c a 21 | 20.1848; 11.9034; 19.6102 90; 90; 90 | 4711.7 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1569812 | CIF | C22 H17 Cl2 F6 N3 O3 | P c a 21 | 12.6058; 20.0622; 9.0538 90; 90; 90 | 2289.7 | 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, 2023, 13, 1241 |
| 1508363 | CIF | C94 H88 N24 Ni6 O19 S2 | P b c n | 15.525; 22.703; 31.993 90; 90; 90 | 11276.4 | Zheng, Xiao-Feng; Zhu, Long-Guan An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O Crystals, 2011, 1, 120-127 |
| 1559469 | CIF | C8 H12 N2 O2 | P b c n | 15.072; 7.9873; 6.841 90; 90; 90 | 823.55 | Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894 |
| 1571376 | CIF | C24 H28 Mn N4 O5 | P b c n | 19.2401; 12.1579; 10.1312 90; 90; 90 | 2369.9 | 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, 2024, 14, 318 |
| 1571377 | CIF | C18 H26 Cu N4 O4 | P b c n | 15.6899; 10.7161; 11.3062 90; 90; 90 | 1900.96 | 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, 2024, 14, 318 |
| 1508376 | CIF | C10 H24 Cl5 Fe N2 O4 | P b c m | 6.2717; 12.841; 25.693 90; 90; 90 | 2069.2 | Bäcker, Tobias; Mudring, Anja-Verena Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept Crystals, 2012, 2, 110-117 |
| 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 |
| 1508427 | CIF | C7 H15 N7 | P b c a | 5.9696; 16.7493; 19.0799 90; 90; 90 | 1907.73 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
| 1567430 | CIF | C8 H13 N O Si | P b c a | 11.6876; 24.898; 13.833 90; 90; 90 | 4025.4 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1568782 | CIF | C51 H47 N9 O14 Zn | P b c a | 14.6426; 20.0946; 32.345 90; 90; 90 | 9517.1 | 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, 2023, 13, 569 |
| 1569808 | CIF | C16 H17 Cd N9 O S2 | P b c a | 14.6614; 15.9147; 18.0194 90; 90; 90 | 4204.5 | 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, 2023, 13, 1198 |
| 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 |
| 1508473 | CIF | C6 H3 Br3 N2 | P b c 21 | 7.1109; 7.8014; 15.6397 90; 90; 90 | 867.61 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508415 | CIF | Ba Sn3 | P 63/m m c | 7.2279; 7.2279; 5.469 90; 90; 120 | 247.44 | Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals, 2012, 1, 104-111 |
| 1508416 | CIF | Ba In0.2 Sn2.8 | P 63/m m c | 7.2604; 7.2604; 5.382 90; 90; 120 | 245.69 | Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals, 2012, 1, 104-111 |
| 1570708 | CIF | K Na O4 S | P 63/m m c | 5.669; 5.669; 7.75 90; 90; 120 | 215.7 | 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, 2023, 14, 27 |
| 1570709 | CIF | K Na O4 S | P 63/m m c | 5.654; 5.654; 8.353 90; 90; 120 | 231.25 | 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, 2023, 14, 27 |
| 1568586 | CIF | In O3 Tb | P 63 c m | 6.3088; 6.3088; 12.3067 90; 90; 120 | 424.195 | 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, 2023, 13, 287 |
| 1508388 | CIF | C76 H56 Co2 K N20 O4 | P 42/n :2 | 21.37; 21.37; 7.4607 90; 90; 90 | 3407.1 | 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, 2012, 2, 946-957 |
| 1508389 | CIF | C76 H56 Co2 N20 Na O4 | P 42/n :2 | 21.163; 21.163; 7.414 90; 90; 90 | 3320.5 | 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, 2012, 2, 946-957 |
| 1549468 | CIF | C2 H3 Na O2 | P 4/n m m :2 | 4.156; 4.156; 10.053 90; 90; 90 | 173.64 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1567735 | CIF | C2 H5 N O2 | P 31 | 6.9848; 6.9848; 5.4744 90; 90; 120 | 231.3 | Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy Crystals, 2022, 12, 1342 |
| 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 |
| 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 |
| 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 |
| 1508365 | CIF | C21 H24 N2 O5 | P 21 21 21 | 5.0655; 8.4614; 46.856 90; 90; 90 | 2008.3 | 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, 2011, 1, 163-170 |
| 1508371 | CIF | C5 H17 N2 O4 P | P 21 21 21 | 8.564; 9.593; 11.607 90; 90; 90 | 953.6 | 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, 2011, 1, 236-243 |
| 1508375 | CIF | C19 H26 O8 S | P 21 21 21 | 9.7945; 10.1945; 21.306 90; 90; 90 | 2127.4 | Mamat, Constantin; Peppel, Tim; Köckerling, Martin The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose Crystals, 2012, 2, 105-109 |
| 1508391 | CIF | C18 H13 Cl N2 O4 | P 21 21 21 | 6.6491; 7.9627; 30.621 90; 90; 90 | 1621.2 | 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, 2012, 2, 967-973 |
| 1508400 | CIF | C14 H14 O4 | P 21 21 21 | 6.8921; 11.4302; 44.964 90; 90; 90 | 3542.2 | 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, 2012, 2, 1441-1454 |
| 1508496 | CIF | C3 H4 N2 O | P 21 21 21 | 5.1024; 8.2922; 9.3064 90; 90; 90 | 393.75 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1546797 | CIF | C9 H11 O | P 21 21 21 | 6.768729; 8.96849; 23.39031 90; 90; 90 | 1419.92 | James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory Crystals, 2017, 7, 218 |
| 1548557 | CIF | C20 H22 N4 O4 Zn | P 21 21 21 | 15.123; 18.806; 20.722 90; 90; 90 | 5893 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1564147 | CIF | C98.1 H151.2 O29 | P 21 21 21 | 16.7127; 24.5777; 24.5908 90; 90; 90 | 10100.9 | Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals, 2021, 11, 172 |
| 1564148 | CIF | C98.1 H152.2 O28.5 | P 21 21 21 | 16.7309; 24.5805; 24.5797 90; 90; 90 | 10108.5 | Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey Crystal Structures of New Ivermectin Pseudopolymorphs Crystals, 2021, 11, 172 |
| 1570247 | CIF | C18 H14 N4 O | P 21 21 21 | 5.0471; 12.5114; 22.2915 90; 90; 90 | 1407.63 | 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, 2023, 13, 1537 |
| 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 |
| 1540509 | CIF | C24 H26 Ca N4 O14 S2 | P 21 21 2 | 16.355; 17.478; 5.4549 90; 90; 90 | 1559.3 | Tai, Xi-Shi; Wang, Xin Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate Crystals, 2015, 5, 458 |
| 1508364 | CIF | C11 H13 N7 | P 1 21/n 1 | 7.3326; 19.4897; 8.6586 90; 106.069; 90 | 1189.06 | 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, 2011, 1, 136-144 |
| 1508403 | CIF | C25 H17 Mo N5 O3 | P 1 21/n 1 | 11.0965; 13.0586; 16.6135 90; 108.324; 90 | 2285.31 | 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, 2012, 1, 47-58 |
| 1508404 | CIF | C31 H21 Mo N5 O3 | P 1 21/n 1 | 11.4788; 19.073; 11.9881 90; 95.179; 90 | 2613.9 | 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, 2012, 1, 47-58 |
| 1508405 | CIF | C24 H19 Mo N5 O3 | P 1 21/n 1 | 8.4222; 21.5966; 12.5011 90; 94.065; 90 | 2268.12 | 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, 2012, 1, 47-58 |
| 1508433 | CIF | C4 H9 N5 O S | P 1 21/n 1 | 5.2452; 14.029; 10.7735 90; 102.036; 90 | 775.34 | 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, 2012, 2, 127-136 |
| 1508442 | CIF | As6 Ga Na10 Nb | P 1 21/n 1 | 8.3243; 7.5173; 13.5465 90; 90.908; 90 | 847.58 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
| 1508458 | CIF | C36 H42 N6 O8 | P 1 21/n 1 | 9.143; 19.352; 10.894 90; 106.286; 90 | 1850.2 | 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, 2012, 2, 662-668 |
| 1508459 | CIF | C36 H44 Cl4 N6 O8 | P 1 21/n 1 | 12.89; 9.7; 16.89 90; 102.92; 90 | 2058.3 | 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, 2012, 2, 662-668 |
| 1508471 | CIF | C8 H10 Br3 F6 N2 P | P 1 21/n 1 | 7.5434; 15.5493; 12.7552 90; 90.198; 90 | 1496.11 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508482 | CIF | C14 H10 O S4 Se4 | P 1 21/n 1 | 5.2296; 11.006; 31.718 90; 93.903; 90 | 1821.4 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
| 1508497 | CIF | C3 H5 Cl N2 O | P 1 21/n 1 | 4.2693; 10.7541; 10.9756 90; 93.535; 90 | 502.96 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1508498 | CIF | C3 H5 Br N2 O | P 1 21/n 1 | 4.4182; 11.0416; 11.2015 90; 94.081; 90 | 545.07 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1518356 | CIF | C2 H13 Co N4 O9 | P 1 21/n 1 | 7.8532; 10; 13.192 90; 105.06; 90 | 1000.4 | Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate Crystals, 2014, 4, 490 |
| 1529352 | CIF | C20 H9 N3 O9 S4 | P 1 21/n 1 | 8.0275; 7.8676; 34.961 90; 90.106; 90 | 2208 | Salmerón-Valverde, Amparo; Bernès, Sylvain Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions Crystals, 2015, 5, 283 |
| 1529353 | CIF | C21 H11 N3 O9 S4 | P 1 21/n 1 | 19.078; 7.2068; 19.443 90; 117.833; 90 | 2364 | Salmerón-Valverde, Amparo; Bernès, Sylvain Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions Crystals, 2015, 5, 283 |
| 1540633 | CIF | C26 H31 Br N2 O7 S | P 1 21/n 1 | 10.418; 14.7052; 17.8673 90; 99.129; 90 | 2702.6 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540635 | CIF | C48 H54 Br2 N4 O10 S2 | P 1 21/n 1 | 15.9728; 14.008; 22.8933 90; 109.716; 90 | 4822 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1567436 | CIF | C22 H18 N2 S2 Si | P 1 21/n 1 | 12.3581; 12.704; 12.5693 90; 90.262; 90 | 1973.33 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567586 | CIF | C54 H50 Cl6 Co N10 S2 | P 1 21/n 1 | 8.3422; 16.5164; 19.9774 90; 100.072; 90 | 2710.13 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567588 | CIF | C52.8 H48.8 Cl2.4 Co N10 S2 | P 1 21/n 1 | 13.3183; 12.5045; 15.2418 90; 96.533; 90 | 2521.87 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567736 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.1004; 11.9664; 5.457 90; 111.714; 90 | 309.43 | Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy Crystals, 2022, 12, 1342 |
| 1567905 | CIF | C4 H14 F5 Fe N2 O | P 1 21/n 1 | 11.4695; 5.8774; 13.609 90; 91.553; 90 | 917.06 | Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals, 2022, 12, 1443 |
| 1568783 | CIF | C22 H28 Cl Cu Ho N6 O10 | P 1 21/n 1 | 8.8038; 16.3659; 19.8889 90; 91.557; 90 | 2864.6 | 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, 2023, 13, 535 |
| 1568784 | CIF | C22 H28 Cl Cu Gd N6 O10 | P 1 21/n 1 | 8.8191; 16.5598; 20.0787 90; 91.748; 90 | 2931 | 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, 2023, 13, 535 |
| 1569624 | CIF | C4 H11 Cl2 Cu N5 | P 1 21/n 1 | 7.5287; 16.5771; 7.9737 90; 113.925; 90 | 909.64 | 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, 2023, 13, 1176 |
| 1569625 | CIF | C12 H39 Cl5.01 Co2 N15 O3 | P 1 21/n 1 | 10.3808; 26.2761; 11.3407 90; 101.374; 90 | 3032.62 | 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, 2023, 13, 1176 |
| 1570250 | CIF | C20 H14 N2 O3 | P 1 21/n 1 | 16.89752; 5.76627; 17.97633 90; 113.947; 90 | 1600.77 | 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, 2023, 13, 1537 |
| 1571383 | CIF | C6 H7 Cl2 Cu N3 | P 1 21/n 1 | 8.3731; 10.9315; 9.5637 90; 103.022; 90 | 852.86 | 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 |
| 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 |
| 1571551 | CIF | C90 H80 Cl6 Mn3 N18 O46 | 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 | C90 H80 Cl6 Mn3 N18 O46 | 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 1567431 | CIF | C8 H13 N S Si | P 1 21/m 1 | 6.6079; 7.2078; 11.1025 90; 97.954; 90 | 523.71 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1571378 | CIF | C7 H7 F3 N4 O2 | P 1 21/m 1 | 5.0459; 9.373; 9.5454 90; 96.187; 90 | 448.82 | 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 |
| 1508369 | CIF | C22 H23 N O5 | P 1 21/c 1 | 20.941; 8.7523; 21.2291 90; 93.529; 90 | 3883.5 | 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, 2011, 1, 229-235 |
| 1508374 | CIF | C15 H28 N2 O4 | P 1 21/c 1 | 8.4007; 16.4716; 12.4876 90; 90.948; 90 | 1727.71 | Mamat, Constantin; Flemming, Anke; Köckerling, Martin Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate Crystals, 2012, 2, 90-95 |
| 1508378 | CIF | C5 H7 N5 O2 S | P 1 21/c 1 | 8.0815; 10.0732; 10.7291 90; 100.383; 90 | 859.12 | 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, 2012, 2, 118-126 |
| 1508386 | CIF | C H8 Br N5 O3 | P 1 21/c 1 | 8.0261; 12.7412; 7.9296 90; 118.051; 90 | 715.64 | Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives Crystals, 2012, 2, 675-689 |
| 1508392 | CIF | C5 H19 N2 O13 P3 Zn3 | P 1 21/c 1 | 11.3275; 8.3235; 18.588 90; 96.979; 90 | 1739.6 | 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, 2012, 2, 974-983 |
| 1508395 | CIF | C11 H10 N2 O3 | P 1 21/c 1 | 9.5408; 9.5827; 11.58 90; 105.838; 90 | 1018.5 | Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate Crystals, 2012, 2, 1248-1252 |
| 1508397 | CIF | C20 H44 B2 Cu2 F10 N8 O4 | P 1 21/c 1 | 10.4816; 7.0223; 22.732 90; 95.913; 90 | 1664.3 | 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, 2012, 2, 1357-1365 |
| 1508401 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 10.7572; 9.7154; 20.5873 90; 90.003; 90 | 2151.59 | Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig Improved Synthesis and Crystal Structure of Dalcetrapib Crystals, 2012, 2, 1455-1459 |
| 1508411 | CIF | As7 Cs2 Na | P 1 21/c 1 | 11.7671; 10.8528; 10.2115 90; 90.213; 90 | 1304.1 | 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, 2012, 1, 87-98 |
| 1508412 | CIF | As14 Cd Cs4 | P 1 21/c 1 | 10.608; 16.761; 14.363 90; 91.785; 90 | 2552.5 | 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, 2012, 1, 87-98 |
| 1508413 | CIF | As14 Cs4 Zn | P 1 21/c 1 | 29.067; 10.4714; 43.039 90; 128.092; 90 | 10309.9 | 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, 2012, 1, 87-98 |
| 1508420 | CIF | C24 H20 N6 Ni O8 | P 1 21/c 1 | 19.032; 47.979; 17.596 90; 116.066; 90 | 14433.3 | 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, 2012, 1, 178-194 |
| 1508422 | CIF | C14 H20 Bi I5 O5 | P 1 21/c 1 | 13.7685; 11.7274; 17.0023 90; 115.197; 90 | 2484.1 | 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, 2012, 1, 220-228 |
| 1508428 | CIF | C20 H58 N16 O8 | P 1 21/c 1 | 12.6856; 8.82; 31.3885 90; 99.39; 90 | 3464.91 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
| 1508429 | CIF | C7 H17 N7 O | P 1 21/c 1 | 8.8064; 11.1285; 10.5456 90; 102.894; 90 | 1007.43 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
| 1508432 | CIF | C5 H12 N5 P | P 1 21/c 1 | 5.9035; 13.388; 11.3173 90; 93.941; 90 | 892.4 | 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, 2012, 2, 127-136 |
| 1508460 | CIF | C40 H42 N6 O8 | P 1 21/c 1 | 12; 6.72; 24.4 90; 92.21; 90 | 1966.2 | 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, 2012, 2, 662-668 |
| 1508480 | CIF | C13 H12 Cl N O S | P 1 21/c 1 | 10.6092; 10.8355; 11.1346 90; 98.643; 90 | 1265.45 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 1508481 | CIF | C13 H12 Cl N O S | P 1 21/c 1 | 10.3738; 10.8501; 11.8301 90; 98.615; 90 | 1316.53 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
| 1508486 | CIF | C16 H13 F2 N3 S | P 1 21/c 1 | 14.339; 11.1478; 9.541 90; 107.007; 90 | 1458.4 | Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals, 2012, 2, 1108-1115 |
| 1508493 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.6941; 10.7909; 8.6586 90; 102.184; 90 | 1433.33 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
| 1508494 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.5187; 10.9358; 8.8141 90; 101.245; 90 | 1467.12 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
| 1508495 | CIF | C15 H13 Cl N2 O S | P 1 21/c 1 | 15.1766; 11.2809; 8.9334 90; 98.726; 90 | 1511.7 | Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals, 2012, 2, 1347-1356 |
| 1508501 | CIF | C3 H10 Bi O11 S3 | P 1 21/c 1 | 11.601; 10.39; 10.498 90; 115.15; 90 | 1145.4 | Gschwind, Fabienne; Jansen, Martin An Unusual Bismuth Ethanedisulfonate Network Crystals, 2012, 2, 1374-1381 |
| 1513836 | CIF | C22 H37 N20 O41 W10 | P 1 21/c 1 | 14.477; 10.8678; 21.627 90; 122.78; 90 | 2860.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1540507 | CIF | C9 H16 O2 | P 1 21/c 1 | 10.6473; 5.2855; 17.0313 90; 106.099; 90 | 920.87 | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid Crystals, 2015, 5, 466 |
| 1543243 | CIF | C10 H13 N O2 | P 1 21/c 1 | 9.3613; 9.3135; 11.8981 90; 102.497; 90 | 1012.8 | Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds Crystals, 2016, 6, 37 |
| 1543244 | CIF | C10 H12 Br N O2 | P 1 21/c 1 | 10.4435; 9.209; 12.2744 90; 102.599; 90 | 1152.1 | Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds Crystals, 2016, 6, 37 |
| 1548555 | CIF | C22 H27 N5 O5 Zn | P 1 21/c 1 | 10.73257; 23.2562; 9.76351 90; 105.393; 90 | 2349.55 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1548556 | CIF | C22 H27 Cd N5 O5 | P 1 21/c 1 | 10.8546; 23.6261; 9.6799 90; 104.14; 90 | 2407.22 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1557475 | CIF | C16 H22 N2 O9 Rh2 | P 1 21/c 1 | 8.1042; 14.3559; 17.696 90; 103.077; 90 | 2005.4 | Arakawa, Kazuki; Yano, Natsumi; Imasaki, Nanako; Kohara, Yoshihiro; Yatsushiro, Daiki; Atarashi, Daiki; Handa, Makoto; Kataoka, Yusuke Coordination-Induced Self-Assembly of a Heteroleptic Paddlewheel-Type Dirhodium Complex Crystals, 2020, 10, 85 |
| 1559470 | CIF | C8 H16 N2 O4 | P 1 21/c 1 | 7.959; 7.154; 17.799 90; 91.68; 90 | 1013 | Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894 |
| 1559472 | CIF | C19 H16 O6 | P 1 21/c 1 | 12.0654; 11.0666; 23.955 90; 101.376; 90 | 3135.7 | Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one Crystals, 2020, 10, 911 |
| 1566036 | CIF | Ca3 Cs2 O16 S4 | P 1 21/c 1 | 9.9153; 9.376; 9.8044 90; 118.365; 90 | 802.04 | Fang, Penglin; Tang, Wenyue; Shen, Yaoguo; Hong, Jinquan; Li, Yongming; Jia, Junrong Crystal Structure and Theoretical Analysis of Cs2Ca3(SO4)4 Crystals, 2022, 12, 126 |
| 1566039 | CIF | C44 H32 F9 O8 Pr | P 1 21/c 1 | 8.9307; 28.9448; 16.2421 90; 105.674; 90 | 4042.4 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1566041 | CIF | C54 H36 F9 N2 O8 Pr | P 1 21/c 1 | 13.2021; 14.6509; 24.8108 90; 98.938; 90 | 4740.7 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1567432 | CIF | C12 H14 N2 O2 Si | P 1 21/c 1 | 12.7881; 10.7211; 18.6634 90; 90.247; 90 | 2558.8 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567585 | CIF | C68 H48 Co N10 S2 | P 1 21/c 1 | 8.7148; 18.4121; 18.2547 90; 101.524; 90 | 2870.06 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1567587 | CIF | C73 H59 Cl9 Co N10 O2 S2 | P 1 21/c 1 | 14.7142; 9.842; 25.64 90; 94.944; 90 | 3699.3 | Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate Crystals, 2022, 12, 1136 |
| 1569279 | CIF | C42 H28 | P 1 21/c 1 | 16.4311; 8.03; 11.2057 90; 104.651; 90 | 1430.43 | Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S. Additive-Assisted Crystallization of 9,10-Diphenylanthracene Crystals, 2023, 13, 861 |
| 1569440 | CIF | C7 H13 N3 Si | P 1 21/c 1 | 9.4337; 19.5412; 10.7349 90; 100.794; 90 | 1943.92 | Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990 |
| 1569443 | CIF | C23 H24 N12 O Si | P 1 21/c 1 | 15.9611; 21.1674; 22.6832 90; 97.74; 90 | 7593.81 | Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990 |
| 1569444 | CIF | C22 H19 Cl N4 S | P 1 21/c 1 | 11.0242; 16.5074; 11.0507 90; 97.688; 90 | 1992.94 | 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, 2023, 13, 992 |
| 1569626 | CIF | C20 H28 Co O8 Pb | P 1 21/c 1 | 8.7792; 20.142; 13.72 90; 91.957; 90 | 2424.7 | Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V. Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14] Crystals, 2023, 13, 1089 |
| 1569627 | CIF | C70 H98 Co5 O28 Pb2 | P 1 21/c 1 | 23.8452; 10.7063; 16.3561 90; 97.096; 90 | 4143.63 | Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V. Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14] Crystals, 2023, 13, 1089 |
| 1569628 | CIF | C6 H6 Cl N O3 | P 1 21/c 1 | 12.648; 13.634; 8.574 90; 97.801; 90 | 1464.8 | 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, 2023, 13, 1062 |
| 1569805 | CIF | C296 H184 N8 O48 Zn8 | P 1 21/c 1 | 16.3093; 27.4589; 48.052 90; 97.288; 90 | 21346 | Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals, 2023, 13, 1266 |
| 1569811 | CIF | C22 H17 Cl2 F6 N3 O3 | P 1 21/c 1 | 9.0555; 39.923; 12.6015 90; 90.376; 90 | 4555.6 | 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, 2023, 13, 1241 |
| 1569817 | CIF | C7 H14 N8 O4 S | P 1 21/c 1 | 10.7987; 17.7255; 6.76698 90; 90.698; 90 | 1295.19 | 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, 2023, 13, 1302 |
| 1569818 | CIF | C15 H14 N O3 Sb | P 1 21/c 1 | 10.8915; 16.5156; 7.7866 90; 104.932; 90 | 1353.35 | 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, 2023, 13, 1300 |
| 1570248 | CIF | C18 H12 N4 O2 | P 1 21/c 1 | 14.9862; 4.8641; 20.3991 90; 101.697; 90 | 1456.1 | 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, 2023, 13, 1537 |
| 1570249 | CIF | C15 H12 N2 O3 | P 1 21/c 1 | 15.34; 5.0292; 16.7042 90; 100.545; 90 | 1266.93 | 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, 2023, 13, 1537 |
| 1571108 | CIF | C28 H25 B Cu F4 N6 P | P 1 21/c 1 | 11.9442; 15.5313; 15.9059 90; 105.945; 90 | 2837.2 | 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, 2024, 14, 162 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 1508366 | CIF | C15 H12 N2 O2 S | P 1 21 1 | 9.9349; 6.3377; 10.5783 90; 97.752; 90 | 659.97 | Saeed, Aamer; ul Mahmood, Shams; Ishida, H. Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 171-177 |
| 1508393 | CIF | C18 H18 N4 O3 | P 1 21 1 | 9.8152; 9.6305; 9.8465 90; 116.785; 90 | 830.88 | 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, 2012, 2, 1201-1209 |
| 1540636 | CIF | C32 H34 Cu0 N4 O8 Zn | P 1 21 1 | 11.421; 9.2213; 15.188 90; 106.112; 90 | 1536.7 | Tai, Xi-Shi; You, Hai-Ying A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property Crystals, 2015, 5, 608 |
| 1571116 | CIF | C H10 Mg N2 O8 S | P 1 21 1 | 5.2452; 7.708; 10.23 90; 94.291; 90 | 412.44 | 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, 2024, 14, 227 |
| 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 |
| 1508382 | CIF | C20 H16 Br0.79 Cl1.21 Cu S16 | P 1 2/c 1 | 7.8124; 6.6564; 30.444 90; 96.062; 90 | 1574.3 | Kubo, Kazuya; Yamashita, Masahiro New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6 Crystals, 2012, 2, 284-293 |
| 1567904 | CIF | C12 H40 F18 Fe4 N6 O2 | P 1 2/c 1 | 16.9178; 13.6023; 12.8848 90; 108.53; 90 | 2811.3 | Li, Teng; Lightfoot, Philip Layered Hybrid iron Fluorides Crystals, 2022, 12, 1443 |
| 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 |
| 1508399 | CIF | C56 H102.5 O50.75 | P 1 | 15.4039; 15.2813; 17.8904 99.662; 113.423; 102.481 | 3618.4 | 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, 2012, 2, 1441-1454 |
| 1544035 | CIF | C20 H14 N4 O2 S2 | P 1 | 5.3047; 9.4281; 10.3733 73.857; 79.443; 83.488 | 488.84 | Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights Crystals, 2016, 6, 89 |
| 1567434 | CIF | C22 H18 N2 O2 Si | P 1 | 6.1626; 8.8822; 26.4639 88.692; 88.561; 81.453 | 1431.76 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 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 |
| 1570707 | CIF | K Na O4 S | P -3 m 1 | 5.6914; 5.6914; 7.37 90; 90; 120 | 206.75 | 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, 2023, 14, 27 |
| 1508414 | CIF | Cl6 Mo Na3 | P -3 1 c | 6.8712; 6.8712; 12.2531 90; 90; 120 | 501 | Beran, Martin; Meyer, Gerd Crystal Structure of Na3MoCl6 Crystals, 2012, 1, 99-103 |
| 1570054 | CIF | O25 P6 Pb10 | P -3 | 9.8109; 9.8109; 14.8403 90; 90; 120 | 1237.06 | Krivovichev, Sergey V.; Engel, Günther The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure Crystals, 2023, 13, 1371 |
| 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 |
| 1508367 | CIF | C24 H32 I2 O8 | P -1 | 4.8499; 12.037; 12.804 64.561; 86.815; 83.893 | 671.1 | Walbaum, Christine; Pantenburg, Ingo; Meyer, Gerd Iodine Molecules Included in the Structure of Dibenzo-24-Crown-8, (I2)@(db24c8) Crystals, 2011, 1, 215-219 |
| 1508373 | CIF | C8 H15 N11 O8 | P -1 | 6.7224; 10.7473; 11.9604 113.212; 90.579; 99.815 | 779.68 | 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, 2012, 2, 34-42 |
| 1508379 | CIF | C15 H13 N3 O3 | P -1 | 6.8994; 9.8052; 11.1525 71.729; 79.436; 74.349 | 685.83 | Mamat, Constantin; Köckerling, Martin The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole Crystals, 2012, 2, 176-181 |
| 1508380 | CIF | C54 H44 N2 O6 P2 S2 | P -1 | 9.859; 13.683; 9.664 105.04; 93.651; 110.735 | 1159.9 | 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, 2012, 2, 182-192 |
| 1508381 | CIF | C46 H42 N2 O9 S34 | P -1 | 6.742; 15.518; 18.034 74.29; 82.16; 80.36 | 1782.4 | 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, 2012, 2, 182-192 |
| 1508385 | CIF | C11 H14 O4 | P -1 | 8.5518; 10.8826; 11.9939 101.273; 98.287; 94.092 | 1077.54 | Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis Crystals, 2012, 2, 521-527 |
| 1508390 | CIF | C2 H4 Cu N8 O2 | P -1 | 7.4137; 7.489; 7.5391 118.928; 109.295; 92.47 | 335.18 | Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II) Crystals, 2012, 2, 958-966 |
| 1508396 | CIF | C20 H44 B4 Cu2 F16 N8 O4 | P -1 | 9.455; 12.0445; 16.493 87.469; 83.061; 75.465 | 1804.6 | 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, 2012, 2, 1357-1365 |
| 1508398 | CIF | C5 H12 Br3 Cu2 N | P -1 | 6.2948; 8.2624; 10.7612 75.964; 89.232; 84.072 | 540.04 | Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W. (C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders Crystals, 2012, 2, 1434-1440 |
| 1508423 | CIF | C14 H27.91 B18 Cl2.09 Co S8 | P -1 | 8.8565; 13.349; 14.654 106.617; 102.684; 98.963 | 1574.7 | 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, 2012, 2, 43-55 |
| 1508424 | CIF | C14 H27.75 B18 Br0.75 Cl1.25 Co S8 | P -1 | 8.7106; 13.441; 14.742 106.991; 101.784; 99.504 | 1568.6 | 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, 2012, 2, 43-55 |
| 1508425 | CIF | C36 H36.84 B18 Br1.16 Co O0.72 S32 | P -1 | 10.809; 16.187; 20.412 100.22; 100.43; 107.21 | 3252.1 | 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, 2012, 2, 43-55 |
| 1508426 | CIF | C8 H18 N12 | P -1 | 8.7982; 8.8927; 9.7756 67.827; 86.181; 71.794 | 671.68 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
| 1508431 | CIF | C4 H9 N5 S | P -1 | 5.9032; 7.4591; 9.2538 113.598; 98.37; 99.017 | 358.88 | 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, 2012, 2, 127-136 |
| 1508434 | CIF | C6 H14 N6 O | P -1 | 5.49; 8.4206; 10.3003 78.564; 85.796; 81.876 | 461.53 | 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, 2012, 2, 127-136 |
| 1508447 | CIF | C29 H21 N4 O2 S16 | P -1 | 17.3403; 20.1481; 23.9412 84.225; 69.596; 76.254 | 7613.6 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
| 1508448 | CIF | C29 H21 N4 O2 S16 | P -1 | 10.2496; 11.2314; 18.0649 96.525; 90.593; 115.397 | 1862.4 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
| 1508449 | CIF | C31 H24.5 Cl1.5 N4 O2 S16 | P -1 | 7.6688; 12.6432; 22.6204 98.43; 98.463; 106.246 | 2041.6 | Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals, 2012, 2, 306-326 |
| 1508450 | CIF | C16 H5 Cl2 I N2 O2 S6 | P -1 | 7.0227; 12.676; 13.1732 62.169; 76.282; 78.615 | 1002.31 | Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals, 2012, 2, 327-337 |
| 1508451 | CIF | C26 H11 Cl2 I4 N3 O2 S12 | P -1 | 7.4173; 12.9354; 21.258 79.6; 85.564; 75.854 | 1944.1 | Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals, 2012, 2, 327-337 |
| 1508452 | CIF | C84 H152 N4 O32 W10 | P -1 | 10.7727; 11.3734; 23.982 98.566; 95.298; 116.168 | 2566.1 | Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid Crystals, 2012, 2, 362-373 |
| 1508454 | CIF | C12 H11 O4.5 Re S6 Se2 | P -1 | 8.532; 9.75; 13.597 94.949; 94.723; 93.783 | 1120 | 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, 2012, 2, 393-412 |
| 1508455 | CIF | C25 H22 Cl I6 S12 Se4 | P -1 | 7.893; 8.594; 34.646 89.481; 84.178; 77.788 | 2284.9 | 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, 2012, 2, 393-412 |
| 1508456 | CIF | C14 H12 I3 S6 Se2 | P -1 | 8.443; 8.859; 16.686 84.118; 89.712; 68.365 | 1153.3 | 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, 2012, 2, 393-412 |
| 1508457 | CIF | C30 H24 Cl5 N O Os S24 | P -1 | 7.6672; 9.8657; 17.9733 91.151; 93.636; 102.434 | 1324.2 | 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, 2012, 2, 627-642 |
| 1508461 | CIF | C8 H7 N O5 | P -1 | 7.2831; 10.522; 11.41 83.38; 80.83; 82.02 | 851 | Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate Crystals, 2012, 2, 669-674 |
| 1508474 | CIF | C8 H8 Br3 F6 N2 P | P -1 | 8.2368; 13.4522; 13.6605 92.476; 100.965; 92.884 | 1481.96 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508476 | CIF | C9 H6 Br3 F6 N3 O4 S2 | P -1 | 7.5438; 8.6311; 15.9716 75.02; 87.083; 66.58 | 920.25 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508477 | CIF | C8 H8 Br5 F6 N2 P | P -1 | 7.6729; 7.8858; 15.8383 90.001; 88.104; 62.169 | 846.88 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508478 | CIF | C8 H8 Br6 N2 | P -1 | 7.32; 11.5867; 18.1972 87.611; 81.121; 86.375 | 1521 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
| 1508483 | CIF | C17 H12.5 Cl0.5 F6 O P S4 Se4 | P -1 | 7.917; 10.582; 15.979 76.666; 89.916; 89.124 | 1302.4 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
| 1508484 | CIF | C40 H30 Cl2 F12 P2 S10 Se8 | P -1 | 12.666; 14.299; 16.289 85.39; 88.219; 79.788 | 2893.6 | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals, 2012, 2, 1092-1107 |
| 1508499 | CIF | C6 H10 N4 O6 S | P -1 | 6.5611; 7.7322; 12.1134 97.82; 91.912; 113.295 | 556.62 | Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals, 2012, 2, 1492-1501 |
| 1513838 | CIF | C21 H45 N12 O46.5 W10 | P -1 | 13.4905; 15.1707; 17.0692 79.594; 89.386; 70.001 | 3223.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
| 1540508 | CIF | C10 H18 O2 | P -1 | 4.1405; 15.2839; 17.7089 68.3291; 83.385; 85.0779 | 1033.39 | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid Crystals, 2015, 5, 466 |
| 1540634 | CIF | C26 H29 Br N2 O7 S | P -1 | 8.3812; 13.0305; 13.2656 64.054; 83.078; 86.643 | 1293.2 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1548558 | CIF | C21 H26 Cd N4 O5 | P -1 | 9.2444; 10.0116; 14.4659 107.371; 91.269; 116.622 | 1123.1 | Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands Crystals, 2016, 6, 132 |
| 1558500 | CIF | C36 H20 Br3.77 Cl8 Cu2 N4 | P -1 | 7.8673; 11.0031; 11.7131 82.325; 89.994; 81.179 | 992.76 | Finocchio, Giada; Rizzato, Silvia; Macetti, Giovanni; Tusha, Gers; Lo Presti, Leonardo Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case Crystals, 2020, 10, 477 |
| 1563171 | CIF | C80 H92 Co5 N2 O48 | P -1 | 10.532; 13.2619; 18.1118 70.883; 74.056; 85.86 | 2297.9 | Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2 Crystals, 2021, 11, 574 |
| 1563172 | CIF | C82 H86 Co6 N2 O48 | P -1 | 11.2564; 15.9785; 16.5583 62.347; 73.527; 70.219 | 2453.6 | Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2 Crystals, 2021, 11, 574 |
| 1566038 | CIF | C56 H45 Cu F6 N2 O1.5 P3 | P -1 | 11.4728; 14.2115; 16.0992 92.018; 91.054; 112.546 | 2421.34 | Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline Crystals, 2021, 11, 185 |
| 1566040 | CIF | C62 H40 F9 N4 O6 Pr | P -1 | 11.9059; 15.3694; 16.5675 79.097; 70.308; 67.575 | 2632.08 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
| 1566043 | CIF | C28 H20 Cl N O | P -1 | 6.9675; 7.6046; 20.706 83.02; 80.403; 83.126 | 1068.2 | Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect Crystals, 2021, 11, 530 |
| 1566044 | CIF | C30 H22 Cl7 N O | P -1 | 10.1961; 10.854; 14.091 84.387; 87.485; 84.125 | 1542.9 | Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect Crystals, 2021, 11, 530 |
| 1567433 | CIF | C12 H14 N2 S2 Si | P -1 | 9.7145; 11.5896; 12.9509 73.601; 89.903; 85.998 | 1395.13 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567435 | CIF | C22 H18 N2 S2 Si | P -1 | 9.4763; 10.2415; 11.1044 96.698; 114.442; 90.107 | 972.92 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1567438 | CIF | C29 H26 N2 S2 Si | P -1 | 9.7034; 11.2023; 13.2853 73.607; 72.232; 82.511 | 1317.8 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
| 1568591 | CIF | C10 H18 Ca O5 | P -1 | 5.8633; 6.8363; 16.0587 79.338; 81.318; 82.834 | 622.21 | Lopresti, Mattia; Milanesio, Marco; Palin, Luca The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data Crystals, 2023, 13, 261 |
| 1569035 | CIF | C10 H4 Br4 N2 | P -1 | 7.8725; 10.9122; 15.6053 103.034; 96.915; 92.46 | 1293.15 | 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, 2023, 13, 704 |
| 1569037 | CIF | C15 H22 Br N S3 | P -1 | 8.0769; 8.5225; 12.5476 99.941; 96.608; 93.121 | 842.66 | 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, 2023, 13, 616 |
| 1569038 | CIF | C16 H23 Cl3 N2 O3 S3 | P -1 | 8.5163; 9.5058; 14.5582 73.29; 89.59; 85.96 | 1125.9 | 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, 2023, 13, 616 |
| 1569039 | CIF | C18 H23 Cl N2 O S3 | P -1 | 8.4811; 9.8093; 11.8739 99.469; 99.016; 93.623 | 958.31 | 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, 2023, 13, 616 |
| 1569441 | CIF | C10 H14 N6 Si | P -1 | 8.6757; 8.874; 9.0989 64.211; 75.463; 79.194 | 608.08 | Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990 |
| 1569442 | CIF | C30 H38 N18 O Si2 | P -1 | 10.064; 11.1921; 18.6757 72.898; 89; 63.346 | 1780.7 | Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990 |
| 1569445 | CIF | C23 H17 Cl N4 S | P -1 | 12.1537; 12.8679; 15.0994 70.272; 69.417; 67.402 | 1984.17 | 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, 2023, 13, 992 |
| 1569806 | CIF | C92 H112 N2 O12 Zn3 | P -1 | 12.2791; 12.5594; 14.265 92.774; 115.24; 92.827 | 1981.6 | 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, 2023, 13, 1226 |
| 1569807 | CIF | C124 H148 Cu3 N6 O14 | P -1 | 13.2103; 13.8734; 16.6325 102.709; 111.677; 92.99 | 2733.2 | 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, 2023, 13, 1226 |
| 1569809 | CIF | C14 H17 Cd Cl N10 O | P -1 | 9.323; 10.936; 11.312 112.637; 104.547; 105.133 | 944.1 | 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, 2023, 13, 1198 |
| 1569810 | CIF | C22 H17 Cl2 F6 N3 O3 | P -1 | 9.5129; 15.13; 17.615 72.469; 83.305; 89.077 | 2400.6 | 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, 2023, 13, 1241 |
| 1570517 | CIF | C28 H32 Fe N12 Ni | P -1 | 8.8641; 10.0807; 10.235 106.771; 105.118; 103.206 | 798.42 | 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, 2023, 13, 1658 |
| 1570518 | CIF | C44 H40 Fe N12 Ni | P -1 | 9.4355; 9.9756; 12.5092 98.322; 93.508; 115.15 | 1044.6 | 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, 2023, 13, 1658 |
| 1570896 | CIF | C30 H43 Br2 Co N8 O8 | P -1 | 8.566; 9.831; 11.508 75.764; 79.755; 88.092 | 924.3 | 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, 2024, 14, 87 |
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