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 |
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