Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7243897 | CIF | C36 H29 Eu N2 O6 S3 | P -1 | 9.1817; 13.0615; 15.0182 96.107; 92.85; 104.079 | 1731.72 | Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021 |
| 7243898 | CIF | C36 H23 Eu F6 N2 O6 S3 | P -1 | 9.4489; 13.2007; 14.8576 90.152; 94.059; 102.044 | 1807.6 | Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021 |
| 7243899 | CIF | C42 H20 Eu F21 N2 O6 S3 | P b c a | 20.6112; 17.9832; 25.1758 90; 90; 90 | 9331.5 | Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021 |
| 7243900 | CIF | C39 H26 Eu F9 N2 O7 S3 | P 1 21 1 | 9.8914; 10.6986; 38.1886 90; 89.992; 90 | 4041.3 | Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021 |
| 7243901 | CIF | C45 H20 Eu F27 N2 O6 S3 | P -1 | 15.2499; 15.6839; 22.6048 78.939; 89.664; 79.532 | 5215.5 | Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V. Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series Physical Chemistry Chemical Physics, 2021 |
| 7244315 | CIF | C74 H108.2 Cl4 Mn2 N8.2 O30 | P -1 | 9.5605; 15.8753; 31.531 92.892; 93.983; 98.707 | 4710 | Buchanan, Jenna; Dais, Tyson N.; Plieger, Paul Computational Studies of the Magneto-structural Correlations in a Manganese Dimer with Jahn-Teller Distortions Physical Chemistry Chemical Physics, 2022 |
| 7244452 | CIF | C20 H18 O6 S5 | I 1 2/a 1 | 8.1299; 16.3935; 16.5034 90; 95.897; 90 | 2187.9 | Kameyama, Ryohei; Fujino, Tomoko; Dekura, Shun; Mori, Hatsumi Conjugation Length Effect on the Conducting Behavior of Single-crystalline Oligo(3,4-ethylenedioxythiophene) (nEDOT) Radical Cation Salts Physical Chemistry Chemical Physics, 2022 |
| 7244453 | CIF | C20 H18 F6 O6 P S5 | C 1 2/m 1 | 13.4985; 29.366; 7.0331 90; 102.4; 90 | 2722.9 | Kameyama, Ryohei; Fujino, Tomoko; Dekura, Shun; Mori, Hatsumi Conjugation Length Effect on the Conducting Behavior of Single-crystalline Oligo(3,4-ethylenedioxythiophene) (nEDOT) Radical Cation Salts Physical Chemistry Chemical Physics, 2022 |
| 7244534 | CIF | C23 H24 N6 O | P -1 | 7.3618; 9.7239; 16.0733 86.088; 83.182; 74.189 | 1098.48 | Zhou, Yang; Maisonneuve, Stéphane; Casimiro, Lorenzo; Retailleau, Pascal; Xie, Juan; Maurel, François; Métivier, Rémi Photoisomerization of a 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran analog dye: a combined photophysical and theoretical investigation Physical Chemistry Chemical Physics, 2022 |
| 7244535 | CIF | C23 H24 N6 O | P n m a | 29.8656; 7.1127; 10.0461 90; 90; 90 | 2134 | Zhou, Yang; Maisonneuve, Stéphane; Casimiro, Lorenzo; Retailleau, Pascal; Xie, Juan; Maurel, François; Métivier, Rémi Photoisomerization of a 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran analog dye: a combined photophysical and theoretical investigation Physical Chemistry Chemical Physics, 2022 |
| 7244546 | CIF | C6 H8 Br N3 | P n m a | 15.5333; 6.3618; 7.9158 90; 90; 90 | 782.24 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244547 | CIF | C8 H11 Br N2 | P 1 21/n 1 | 10.4022; 7.513; 11.819 90; 102.618; 90 | 901.37 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244548 | CIF | C7 H10 Br N3 | C 1 c 1 | 7.0482; 11.4371; 11.1712 90; 94.909; 90 | 897.22 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244549 | CIF | C7 H9 Br N2 | C 1 c 1 | 7.7092; 15.268; 7.4616 90; 105.339; 90 | 846.97 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244550 | CIF | C7 H10 Cl N3 | P 1 21/n 1 | 7.3329; 9.3234; 12.2867 90; 90.24; 90 | 840 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244551 | CIF | C9 H10 F6 N4 O4 S2 | P 1 21/c 1 | 13.0861; 16.2425; 15.1289 90; 90.599; 90 | 3215.5 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244552 | CIF | C6 H11 Br N2 O | P 1 21 1 | 7.3302; 7.1879; 8.5495 90; 109.076; 90 | 425.73 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244553 | CIF | C7 H13 Br N2 | P 1 21/c 1 | 6.8182; 17.0994; 8.0181 90; 102.298; 90 | 913.36 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244554 | CIF | C6 H8 Cl N3 | P n m a | 14.9547; 6.2734; 7.8292 90; 90; 90 | 734.51 | Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom Effect of the cation structure on the properties of homobaric imidazolium ionic liquids Physical Chemistry Chemical Physics, 2022 |
| 7244598 | CIF | C18 H15 Cl2 Sb | P 1 21/c 1 | 11.1221; 9.4107; 15.8718 90; 95.181; 90 | 1654.46 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244599 | CIF | C12 H11 As O2 | P 1 21/c 1 | 16.0104; 22.3412; 6.1613 90; 90.009; 90 | 2203.84 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244600 | CIF | C18 H15 Bi Cl2 | P 21 21 21 | 9.1006; 17.0456; 22.1478 90; 90; 90 | 3435.68 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244601 | CIF | C12 H11 As O2 | P 1 21/c 1 | 11.4506; 6.0251; 15.7851 90; 99.389; 90 | 1074.44 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244602 | CIF | C12 H11 O2 P | P 1 21/c 1 | 11.4435; 5.9428; 15.6087 90; 100.199; 90 | 1044.72 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244603 | CIF | C57 H57 As2 N3 O8 S3 | R -3 :H | 18.7709; 18.7709; 26.6661 90; 90; 120 | 8136.93 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244604 | CIF | C18 H17 As O2 | P 1 21/n 1 | 9.465; 16.2211; 11.0562 90; 113.71; 90 | 1554.21 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244605 | CIF | C36 H32 O6 S Sb2 | P 1 21/c 1 | 12.0623; 14.7844; 18.0122 90; 101.613; 90 | 3146.43 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244606 | CIF | C50 H42 Cl6 O8 Sb4 | C 1 2/c 1 | 22.9804; 13.6482; 35.9388 90; 112.539; 90 | 10410.9 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244607 | CIF | C18 H15 Cl2 Sb | P b c a | 13.0134; 23.6265; 43.3575 90; 90; 90 | 13330.7 | Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S. Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding Physical Chemistry Chemical Physics, 2022 |
| 7244870 | CIF | C56 H72 N8 O20 Si2 | P 42/n :2 | 14.33058; 14.33058; 8.35856 90; 90; 90 | 1716.56 | Ennis, Courtney; Appadoo, Dominique R. T.; Boer, Stephanie A.; White, Nicholas G. Vibrational mode analysis of hydrogen-bonded organic frameworks (HOFs): synchrotron infrared studies Physical Chemistry Chemical Physics, 2022 |
| 7244887 | CIF | C18 H28 K N O9 | P 43 | 8.0124; 8.0124; 33.848 90; 90; 90 | 2173 | Weirich, Luisa; Tusha, Gers; Engelage, Elric; Schäfer, Lars V.; Merten, Christian VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations Physical Chemistry Chemical Physics, 2022 |
| 7244888 | CIF | C24 H32 K N O9 | P 21 21 21 | 9.6493; 11.3747; 23.4471 90; 90; 90 | 2573.5 | Weirich, Luisa; Tusha, Gers; Engelage, Elric; Schäfer, Lars V.; Merten, Christian VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations Physical Chemistry Chemical Physics, 2022 |
| 7244956 | CIF | C12 H12 O6 | P -1 | 6.6514; 7.1118; 12.5709 103.594; 96.171; 98.824 | 564.73 | Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E. Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach Physical Chemistry Chemical Physics, 2022 |
| 7244957 | CIF | C4 H6 N2 | P 21 21 21 | 6.018; 8.1483; 9.6871 90; 90; 90 | 475.02 | Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E. Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach Physical Chemistry Chemical Physics, 2022 |
| 7244958 | CIF | C16 H16 N2 O5 | P -1 | 7.51259; 9.8167; 11.1108 73.303; 82.2052; 77.655 | 764.3 | Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E. Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach Physical Chemistry Chemical Physics, 2022 |
| 7245048 | CIF | C5 H6 Cl4 N Sb | P -1 | 7.597; 8.988; 9.242 88.53; 68.29; 65.01 | 525 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245049 | CIF | C5 H6 I4 N Sb | C 1 2/c 1 | 12.62; 13.647; 8.046 90; 95.692; 90 | 1378.9 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245050 | CIF | C10 H10 Br2 I8 N2 Sb2 | P 1 21/c 1 | 9.4289; 20.043; 7.5474 90; 94.723; 90 | 1421.5 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245051 | CIF | C10 H10 Cl2 I8 N2 Sb2 | P 1 21/c 1 | 9.3888; 19.8733; 7.5373 90; 95.342; 90 | 1400.2 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245052 | CIF | C15 H15 Br3 Cl9 N3 Sb2 | P -1 | 8.6287; 12.1886; 14.999 105.774; 92.163; 94.537 | 1510.4 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245053 | CIF | C15 H15 Cl12 N3 Sb2 | P -1 | 8.5816; 12.1045; 14.9113 105.975; 91.902; 95.118 | 1480.47 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245054 | CIF | C5 H5 Br4 Cl N Sb | P 1 21/n 1 | 7.4582; 27.95; 11.8379 90; 93.543; 90 | 2463 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245055 | CIF | C5 H6 Br4 N Sb | P -1 | 7.592; 8.6466; 8.775 84.957; 89.797; 84.688 | 571.3 | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites Physical Chemistry Chemical Physics, 2022 |
| 7245067 | CIF | C19 H16 B F2 N O | P 1 21 1 | 8.7506; 6.4046; 14.903 90; 101.334; 90 | 818.94 | Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes Physical Chemistry Chemical Physics, 2022 |
| 7245068 | CIF | C23 H18 B F2 N O | P 21 21 21 | 9.7997; 16.3983; 22.936 90; 90; 90 | 3685.8 | Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes Physical Chemistry Chemical Physics, 2022 |
| 7245069 | CIF | C19 H16 B F2 N O | P 21 21 21 | 6.1678; 8.1722; 31.57 90; 90; 90 | 1591.3 | Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes Physical Chemistry Chemical Physics, 2022 |
| 7245070 | CIF | C38 H32 B2 F4 N2 O2 | P 1 21 1 | 10.373; 13.9191; 11.5437 90; 108.664; 90 | 1579.06 | Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes Physical Chemistry Chemical Physics, 2022 |
| 7245198 | CIF | C3.65 H16.27 Br0.21 N0.22 O9.66 | P m m a | 21.0695; 12.6077; 12.0415 90; 90; 90 | 3198.7 | Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts Physical Chemistry Chemical Physics, 2022 |
| 7245199 | CIF | C3.65 H16.27 Br0.21 N0.22 O9.66 | P m m a | 21.0695; 12.6077; 12.0415 90; 90; 90 | 3198.7 | Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts Physical Chemistry Chemical Physics, 2022 |
| 7245200 | CIF | C18 H12 F12 N2 O2 | P 1 21/n 1 | 7.3987; 16.0317; 18.002 90; 98.686; 90 | 2110.79 | Storer, Maria Chiara; Hunter, Christopher A. Quantification of secondary electrostatic interactions in H-bonded complexes Physical Chemistry Chemical Physics, 2022 |
| 7245201 | CIF | C16 H12 F6 N2 O | P 1 21/c 1 | 11.1618; 12.3056; 11.4093 90; 97.225; 90 | 1554.65 | Storer, Maria Chiara; Hunter, Christopher A. Quantification of secondary electrostatic interactions in H-bonded complexes Physical Chemistry Chemical Physics, 2022 |
| 7245220 | CIF | C20 H29 N3 O5 | P 1 21 1 | 11.7946; 9.3562; 18.9259 90; 105.551; 90 | 2012.1 | Kumar, Satish; Borish, Kshetrimayum; Dey, Sanjit; Nagesh, Jayashree; Das, Aloke Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides Physical Chemistry Chemical Physics, 2022 |
| 7245225 | CIF | C22 H10 N6 | P 1 21/c 1 | 16.5206; 7.649; 14.4843 90; 91.55; 90 | 1829.65 | Wang, Jing; Xu, Shuping; Xue, Xiangxin; zhao, lina; Xu, Weiqing Tunable multiple light emissions of core-shell structures based on rare earth ions doped on the surfaces of organic cocrystals Physical Chemistry Chemical Physics, 2022 |
| 7245226 | CIF | C41 H30 I4 N4 O3 | P -1 | 9.4847; 9.8569; 23.787 91.327; 100.187; 114.405 | 1981.7 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245227 | CIF | C19 H13 I2 N O | P 1 c 1 | 9.7182; 8.0639; 11.5611 90; 107.391; 90 | 864.59 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245228 | CIF | C41.89 H35.78 I4 N4 O2.45 | P -1 | 9.5202; 10.0356; 23.9703 92.092; 100.214; 114.586 | 2033.89 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245229 | CIF | C20 H17 I2 N3 O | P -1 | 9.4579; 9.9193; 23.4761 90.91; 99.539; 114.954 | 1960.13 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245377 | CIF | C13 H6 Cl4 O S | P 21 21 21 | 3.9858; 13.451; 25.545 90; 90; 90 | 1369.5 | Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives. Physical Chemistry Chemical Physics, 2022 |
| 7245378 | CIF | C13 H6 Cl4 O S | P 1 21/n 1 | 3.8532; 14.632; 24.278 90; 93.236; 90 | 1366.6 | Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives. Physical Chemistry Chemical Physics, 2022 |
| 7245380 | CIF | C58 H108 Si10 | P n n a | 18.1857; 30.4174; 12.6976 90; 90; 90 | 7023.8 | Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues Physical Chemistry Chemical Physics, 2022 |
| 7245381 | CIF | C58 H108 Ge2 Si8 | P n n a | 18.2272; 30.5096; 12.6275 90; 90; 90 | 7022.2 | Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues Physical Chemistry Chemical Physics, 2022 |
| 7245428 | CIF | C20 H13 N3 O S | P 1 21/n 1 | 15.8363; 5.1256; 20.636 90; 103.118; 90 | 1631.3 | Das, Sangita; Patra, Lakshman; Pratim Das, Partha; Ghoshal, Kakali; Gharami, Saswati; Walton, James W.; Bhattacharyya, Maitree; Mondal, Tapan Kumar A new ratiometric switch “two-way” detects hydrazine and hypochlorite via a “dye-release” mechanism with a PBMC bioimaging study Physical Chemistry Chemical Physics, 2022 |
| 7245605 | CIF | C4 H4 O5 | C 1 m 1 | 8.69237; 6.06857; 5.58397 90; 120.797; 90 | 253.02 | Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids Physical Chemistry Chemical Physics, 2022 |
| 7245674 | CIF | C34 H25 O P | P 1 21/c 1 | 16.0559; 6.2918; 24.2227 90; 92.717; 90 | 2444.24 | Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P. Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation Physical Chemistry Chemical Physics, 2022 |
| 7245675 | CIF | C34 H27 O P | P 1 21/c 1 | 11.6191; 5.9902; 35.856 90; 90.762; 90 | 2495.4 | Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P. Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation Physical Chemistry Chemical Physics, 2022 |
| 7248549 | CIF | C23 H22 I P | P 1 21/c 1 | 10.606; 18.313; 10.75 90; 106.717; 90 | 2000 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen Grayson; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: A combined mass spectrometric and computational approach Physical Chemistry Chemical Physics, 2024 |
| 7248550 | CIF | C23 H22 F6 P2 | P 1 21/c 1 | 11.1886; 17.4838; 11.8098 90; 107.462; 90 | 2203.8 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen Grayson; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: A combined mass spectrometric and computational approach Physical Chemistry Chemical Physics, 2024 |
| 7248595 | CIF | Cl5 K2 N O Ru | P n m a | 13.126; 10.3284; 6.8375 90; 90; 90 | 926.96 | Mikhailov, Artem A.; Gansmuller, Axel; Konieczny, Krzysztof; Pillet, Sebastien; Kostin, Gennadiy; Klüfers, Peter; Woike, Theo; Schaniel, Dominik Local force constants and charges of the nitrosyl ligand in photoinduced NO linkage isomers in a prototypical ruthenium nitrosyl complex Physical Chemistry Chemical Physics, 2024 |
| 7248734 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6908; 5.7271; 27.006 90; 90.719; 90 | 1189.4 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248735 | CIF | C24 H20 N12 O6 | P 1 21/n 1 | 7.2224; 5.6283; 26.087 90; 94.048; 90 | 1057.8 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248736 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.1952; 5.6211; 26.01 90; 94.452; 90 | 1048.8 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248737 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.2334; 5.6302; 26.082 90; 94.001; 90 | 1059.6 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248738 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.1472; 5.611; 25.939 90; 94.766; 90 | 1036.6 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248739 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6129; 5.7121; 26.809 90; 90.448; 90 | 1165.8 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248740 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.0225; 5.5811; 25.7121 90; 95.797; 90 | 1002.59 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248741 | CIF | C24 H20 N12 O6 | P 1 21/n 1 | 7.6153; 5.7099; 26.8265 90; 90.275; 90 | 1166.5 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248742 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.9306; 5.7908; 27.809 90; 95.349; 90 | 1271.6 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248743 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.3848; 5.6634; 26.3751 90; 92.598; 90 | 1102 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248744 | CIF | C24 H20 N12 O6 | P 1 21/n 1 | 7.2747; 5.6382; 26.176 90; 93.556; 90 | 1071.6 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248745 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.4571; 5.6784; 26.508 90; 91.931; 90 | 1121.8 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248746 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.944; 5.7979; 27.874 90; 95.81; 90 | 1277.24 | Christopher, Imogen; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A.L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248757 | CIF | Si | P -3 m 1 | 9.93653882; 9.93653882; 15.99433626 90; 90; 120 | 1367.62 | Niu, Lujie; Zhang, Rui; Zhang, Qiang; Wang, Dong; Bi, Yanlei; Wen, Guangwu; Qin, Lu-Chang Carbon-coated silicon/graphite oxide composites as anode for highly stable lithium-ion batteries Physical Chemistry Chemical Physics, 2024 |
| 7248825 | CIF | C19 H7 F4 N O | P 1 21/n 1 | 6.9645; 13.1363; 14.5331 90; 93.668; 90 | 1326.88 | Deree, Yinon; Bogoslavsky, Benny; Schapiro, Igor; Gidron, Ori The Photochemistry and Photophysics of Benzoyl-Carbazole Physical Chemistry Chemical Physics, 2024 |
| 7248904 | CIF | C14 H8 Br N O3 | P 1 21/c 1 | 4.775; 11.0709; 22.9812 90; 95.654; 90 | 1208.96 | Bhakta, Viki; Guchhait, Nikhil Switching of Photoinduced Proton Transfer from One Six Member Hydrogen Bonded Ring to Other: A Molecule of Hydrazine and pH Sensor Physical Chemistry Chemical Physics, 2024 |
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