Crystallography Open Database
Search results
Result: there are 384 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Phys. Chem. Chem. Phys.'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7232554 | CIF | C8 H18 Al K N2 O12 | P 1 21/n 1 | 8.1568; 9.0289; 12.238 90; 90.509; 90 | 901.26 | Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry Physical Chemistry Chemical Physics, 2019 |
| 7232631 | CIF | C16 H36 F12 Mg N2 O14 S10 | P -1 | 8.3553; 11.644; 12.2554 111.29; 98.55; 100.341 | 1062.74 | MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics, 2019 |
| 7232632 | CIF | C44 H68 F24 Mg2 N12 O26 S8 | P -1 | 14.2221; 16.156; 20.0391 96.153; 109.15; 109.657 | 3971.8 | MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics, 2019 |
| 7232633 | CIF | C34 H48 F12 Mg N14 O8 S4 | P 1 21/c 1 | 11.0919; 11.1816; 20.2849 90; 98.442; 90 | 2488.6 | MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics, 2019 |
| 7232634 | CIF | C26 H50 F12 Mg N2 O17 S6 | P 1 21/n 1 | 16.5803; 16.0637; 18.4302 90; 107.544; 90 | 4680.4 | MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics, 2019 |
| 7232701 | CIF | C49 H21 Cl3 F20 N5 O4 | I 1 2/m 1 | 18.9313; 16.3839; 17.3825 90; 91.048; 90 | 5390.6 | Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics, 2019 |
| 7232702 | CIF | C46 H10 Cl3 F20 N5 O4 | P 1 21/n 1 | 19.2843; 8.2608; 28.316 90; 103.985; 90 | 4377.1 | Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics, 2019 |
| 7232703 | CIF | C46 H10 Cl3 F20 N5 O4 | P 1 21 1 | 14.5721; 9.2987; 15.8007 90; 90.331; 90 | 2141 | Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics, 2019 |
| 7232704 | CIF | C45 H7 F20 N5 O6 | P -1 | 18.2714; 18.3261; 35.2109 95.797; 97.429; 90.023 | 11630.3 | Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics, 2019 |
| 7232705 | CIF | C45 H7 F20 N5 O6 | P 1 21 1 | 33.9547; 8.7071; 58.8064 90; 93.851; 90 | 17346.7 | Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics, 2019 |
| 7232706 | CIF | C45 H11 F20 N5 O4 | C 1 2/m 1 | 25.788; 16.3752; 12.6133 90; 90.592; 90 | 5326.11 | Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics, 2019 |
| 7232811 | CIF | C32 H24 O6 | C 1 2/c 1 | 11.5969; 13.4458; 15.9778 90; 107.103; 90 | 2381.2 | Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone Physical Chemistry Chemical Physics, 2019 |
| 7232812 | CIF | C32 H26 O6 | C 1 2/c 1 | 25.4848; 7.819; 13.9952 90; 92.559; 90 | 2786 | Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone Physical Chemistry Chemical Physics, 2019 |
| 7232840 | CIF | C7 H18 B F4 N3 | F m -3 | 10.877; 10.877; 10.877 90; 90; 90 | 1287 | Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics, 2019 |
| 7232841 | CIF | C9 H18 F6 N4 O4 S2 | P -1 | 7.9127; 8.1869; 8.5091 88.249; 63.336; 73.529 | 469.37 | Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics, 2019 |
| 7232842 | CIF | C7 H18 F6 N3 P | P a -3 | 10.9739; 10.9739; 10.9739 90; 90; 90 | 1321.55 | Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics, 2019 |
| 7232843 | CIF | C9 H18 F6 N4 O4 S2 | P 1 21/n 1 | 13.715; 8.6718; 15.6538 90; 102.306; 90 | 1818.99 | Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics, 2019 |
| 7232911 | CIF | C26 H16 S2 | C 1 2/c 1 | 16.8912; 11.897; 19.6308 90; 104.361; 90 | 3821.6 | Shen, Yue; Liu, Haichao; Cao, Jungang; Zhang, Shitong; Li, Weijun; Yang, Bing Unusual Temperature-Sensitive Excimer Fluorescence from Discrete π-π Dimer Stacking of Anthracene in a Crystal Physical Chemistry Chemical Physics, 2019 |
| 7232988 | CIF | C62.71 H57.43 Br2 Cl3.43 N4 O | P 1 21/n 1 | 12.3578; 19.6171; 24.1612 90; 93.8074; 90 | 5844.3 | Schreck, Maximilian Hubert; Breitschwerdt, Lena; Marciniak, Henning; Holzapfel, Marco; Schmidt, David; Wuerthner, Frank; Lambert, Christoph fs-ps Exciton dynamics in a stretched tetraphenylsquaraine polymer Physical Chemistry Chemical Physics, 2019 |
| 7233041 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9309; 6.7591; 10.8963 90; 109.028; 90 | 621.81 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233042 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9363; 6.7653; 10.9019 90; 109.053; 90 | 622.99 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233043 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9459; 6.788; 10.9215 90; 108.982; 90 | 627.14 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233044 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9415; 6.7764; 10.9128 90; 109.007; 90 | 625.17 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233045 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9401; 6.778; 10.9123 90; 108.995; 90 | 625.24 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233046 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.936; 6.7693; 10.9057 90; 109.008; 90 | 623.72 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233047 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9479; 6.7968; 10.9255 90; 108.967; 90 | 628.38 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233048 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9566; 6.8133; 10.9391 90; 108.913; 90 | 631.51 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233049 | CIF | C4 H9 Cl Cu S | P 1 21/n 1 | 8.9369; 6.7675; 10.9024 90; 109.052; 90 | 623.26 | Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics, 2019 |
| 7233072 | CIF | C20 H24 N2 O4 | P -1 | 8.6578; 10.0035; 11.6371 78.764; 75.978; 67.163 | 895.44 | Paul, Mathias; Peckelsen, Katrin; Thomulka, Thomas; Neudoerfl, Joerg; Martens, Jonathan; Berden, Giel; Oomens, Jos; Berkessel, Albrecht; Meijer, Anthony J. H. M.; Schäfer, Mathias Hydrogen Tunneling Avoided: Enol-Formation From a Charge-tagged Phenyl Pyruvic Acid Derivative Evidenced by Tandem-MS, IR Ion Spectroscopy and Theory Physical Chemistry Chemical Physics, 2019 |
| 7233073 | CIF | C26 H37 I2 N3 O7 | P -1 | 10.2439; 11.9323; 14.7966 72.918; 83.311; 65.747 | 1576.24 | Paul, Mathias; Peckelsen, Katrin; Thomulka, Thomas; Neudoerfl, Joerg; Martens, Jonathan; Berden, Giel; Oomens, Jos; Berkessel, Albrecht; Meijer, Anthony J. H. M.; Schäfer, Mathias Hydrogen Tunneling Avoided: Enol-Formation From a Charge-tagged Phenyl Pyruvic Acid Derivative Evidenced by Tandem-MS, IR Ion Spectroscopy and Theory Physical Chemistry Chemical Physics, 2019 |
| 7233098 | CIF | C10 H10 N2 O3 | P b c a | 11.0905; 10.9922; 16.1833 90; 90; 90 | 1972.89 | Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej Toward a new type of proton conductors based on imidazole and aromatic acids Physical Chemistry Chemical Physics, 2019 |
| 7233099 | CIF | C10 H10 N2 O2 | P 1 21/n 1 | 8.7106; 12.3618; 9.2744 90; 111.594; 90 | 928.56 | Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej Toward a new type of proton conductors based on imidazole and aromatic acids Physical Chemistry Chemical Physics, 2019 |
| 7233189 | CIF | C19 H18 N2 O3 | P c c n | 17.361; 25.237; 7.5371 90; 90; 90 | 3302.3 | Yu, Binhong; Wang, Yi; Wang, Lingrui; Tan, Xiao; Zhang, Yumo; Wang, Kai; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An Spontaneous proton transfer in a series of amphoteric molecules under hydrostatic pressure Physical Chemistry Chemical Physics, 2019 |
| 7233235 | CIF | C96 H108 Ni6 S12 | P 1 21/n 1 | 11.244; 12.415; 32.461 90; 92.071; 90 | 4528 | Pembere, Anthony M.; Cui, Chaonan; Anumula, Rajini; Wu, Huiming; An, Pan; Liang, Tongling; Luo, Zhixun A Hexagonal Ni6 Cluster Protected by 2-Phenylethanethiol for Catalytic Conversion of Toluene to Benzaldehyde Physical Chemistry Chemical Physics, 2019 |
| 7233312 | CIF | C39 H30 Cl N3 O Os P2 | P 1 21/n 1 | 12.956; 21.353; 13.256 90; 110.133; 90 | 3443 | Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics, 2019 |
| 7233313 | CIF | C40.5 H36 Cl N3 O1.5 Os P2 | I 41 | 23.138; 23.138; 26.906 90; 90; 90 | 14405 | Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics, 2019 |
| 7233314 | CIF | C39 H34 Cl N3 O2 Os P2 | P 1 21/c 1 | 18.17; 11.651; 16.431 90; 101.198; 90 | 3412.2 | Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics, 2019 |
| 7233369 | CIF | C35 H55 Cl N4 O4 | P b c a | 16.6055; 19.9177; 21.7032 90; 90; 90 | 7178.2 | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics, 2019 |
| 7233370 | CIF | C33 H49 Cl N4 O3 | C 1 2/c 1 | 24.8659; 15.3224; 20.1555 90; 119.374; 90 | 6692.1 | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics, 2019 |
| 7233371 | CIF | C36 H52 Br N4 O3 | C 1 2/c 1 | 29.018; 15.6456; 19.7456 90; 129.451; 90 | 6922.2 | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics, 2019 |
| 7233372 | CIF | C35 H51 Br Cl6 N4 O3 | P 1 21/c 1 | 21.169; 12.0506; 16.8977 90; 97.492; 90 | 4273.8 | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics, 2019 |
| 7233373 | CIF | C35 H55 Br N4 O4 | P b c a | 16.9397; 19.8774; 21.6754 90; 90; 90 | 7298.5 | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics, 2019 |
| 7233374 | CIF | C68 H104 I2 N8 O7 | P 1 21/c 1 | 9.8928; 34.9965; 20.5965 90; 90.45; 90 | 7130.6 | Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics, 2019 |
| 7233533 | CIF | C11 H16 N O4 | P -1 | 5.8474; 8.9093; 11.586 99.477; 93.462; 107.504 | 563.89 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233534 | CIF | C11 H15 N O4 | P 1 21/c 1 | 13.045; 5.6577; 16.169 90; 107.412; 90 | 1138.7 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233535 | CIF | C23 H34 N2 O8 | C 1 2/c 1 | 17.704; 6.2; 21.99 90; 98.751; 90 | 2385.6 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233536 | CIF | C12 H20 N O5 | C 1 2/c 1 | 28.0334; 5.4264; 18.2828 90; 99.968; 90 | 2739.2 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233537 | CIF | C10 H14 N O4 | P 1 21/c 1 | 12.997; 7.236; 12.376 90; 116.81; 90 | 1038.8 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233538 | CIF | C9 H13 N O2 | P 1 21/n 1 | 8.869; 12.103; 9.009 90; 113.4; 90 | 887.5 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233539 | CIF | C12 H20 N O5 | C 1 2/c 1 | 28.333; 5.241; 18.325 90; 100.435; 90 | 2676.1 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233540 | CIF | C11 H15.5 N O4.5 | P -1 | 5.7487; 8.9795; 11.6493 100.209; 90.688; 106.188 | 567.16 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233541 | CIF | C22 H32 N2 O10 | P -1 | 9.5357; 11.1714; 11.4964 89.067; 70.401; 79.552 | 1133.28 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233542 | CIF | C22 H32 N2 O10 | P 1 | 5.6127; 9.3029; 11.6456 101.243; 91.903; 105.888 | 571.19 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7233543 | CIF | C13 H18 N O5 | I 1 2/a 1 | 15.4695; 11.6758; 15.9648 90; 112.858; 90 | 2657.1 | Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics, 2019 |
| 7234232 | CIF | C22 H16 N4 S6 | P -1 | 3.8415; 7.627; 18.9474 90.79; 90.292; 93.35 | 554.13 | Kiyota, Yasuhiro; Jeon, Ie-Rang; Jeannin, olivier; Beau, Maxime; Kawamoto, Tadashi; Alemany, Pere; Canadell, Enric; Mori, Takehiko; Fourmigue, Marc Electronic engineering of a tetrathiafulvalene charge-transfer salt via reduced symmetry induced by combined substituents Physical Chemistry Chemical Physics, 2019 |
| 7242073 | CIF | C17 H23 Cl3 N2 O5 | P -1 | 10.0026; 10.14; 10.8176 108.089; 96.421; 92.493 | 1032.86 | Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics, 2021 |
| 7242074 | CIF | C30 H44 N4 O13.5 | I 1 2/a 1 | 18.9606; 14.2438; 25.8792 90; 90.02; 90 | 6989.22 | Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics, 2021 |
| 7242075 | CIF | C16 H30 N2 O9 | P 1 21/n 1 | 14.92326; 8.57252; 15.64663 90; 94.0935; 90 | 1996.57 | Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics, 2021 |
| 7242076 | CIF | C15 H19 N O5 | P 1 21/n 1 | 7.9743; 17.9548; 10.8807 90; 108.121; 90 | 1480.6 | Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics, 2021 |
| 7242165 | CIF | C58 H55 Cl2 Cu2 N9 O4 | P -1 | 12.1101; 15.0255; 15.7251 75.136; 67.643; 87.203 | 2553.9 | Velasco, Lucia; Llanos, Leonel; Levin, Pedro; Vega, Andres; Yu, Jin; Zhang, Xiaoyi; Lemus, Luis A.; Aravena, Daniel; Moonshiram, Dooshaye Structure and Excited-State Dynamics of Dimeric Copper(I) photosensitizers Investigated by Time-resolved X-ray and Optical Transient Absorption Spectroscopy Physical Chemistry Chemical Physics, 2021 |
| 7242258 | CIF | C27 H39 N3 O9 | P 1 21/c 1 | 13.6976; 15.5866; 28.4803 90; 91.167; 90 | 6079.25 | Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer Physical Chemistry Chemical Physics, 2021 |
| 7242259 | CIF | C27 H39 N3 O9 | P a -3 | 18.2873; 18.2873; 18.2873 90; 90; 90 | 6115.74 | Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer Physical Chemistry Chemical Physics, 2021 |
| 7242260 | CIF | C21 H16 N2 O5 S | P 1 21/c 1 | 14.0149; 7.6562; 18.38 90; 101.242; 90 | 1934.3 | Custodio, Jean; d'Oliveira, Giulio Demetrius Creazo; Gotardo, Fernando; Cocca, Leandro; Boni, Leonardo De; Perez, Caridad; Napolitano, Hamilton; Osório, Francisco; Valverde, Clodoaldo Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states Physical Chemistry Chemical Physics, 2021 |
| 7242414 | CIF | C34 H42 O8 S2 | P 1 21/c 1 | 22.969; 8.1561; 8.6458 90; 100.575; 90 | 1592.17 | Guilbert, Anne A. Y.; Parr, Zachary S.; Kreouzis, Theo; Woods, Duncan J.; Sprick, Reiner Sebastian; Abrahams, I.; Nielsen, Christian; Zbiri, Mohamed Effect of substituting non-polar chains with polar chains on the structural dynamics of small organic molecule and polymer semiconductors Physical Chemistry Chemical Physics, 2021 |
| 7242513 | CIF | C12 H10 F3 N3 O4 | P -1 | 7.5763; 8.5961; 10.7211 100.721; 99.964; 91.329 | 674.59 | Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics, 2021 |
| 7242514 | CIF | C12 H10 F3 N3 O4 | C 1 2/c 1 | 11.1754; 10.0868; 23.6466 90; 101.827; 90 | 2608.95 | Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics, 2021 |
| 7242535 | CIF | C93 H93 Cl26 Mn6 N15 O28 | P -3 1 c | 16.7906; 16.7906; 24.3807 90; 90; 120 | 5952.6 | Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling Physical Chemistry Chemical Physics, 2021 |
| 7242619 | CIF | C22 H20 O2 S | P 1 21/c 1 | 18.7765; 5.7331; 17.6642 90; 107.791; 90 | 1810.6 | Yakali, Gul Examination of Aggregation Induced Enhanced Emission in a Propeller Shaped Chiral- Nonconjugated Blue Emitter from Restricted Intramolecular Rotation and J Type π⋯π Stacking Interactions Physical Chemistry Chemical Physics, 2021 |
| 7242715 | CIF | C52 H36 N2 | I b a 2 | 18.0128; 27.5447; 7.2185 90; 90; 90 | 3581.5 | Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes Physical Chemistry Chemical Physics, 2021 |
| 7242746 | CIF | C47 H41 N3 O2 | C 1 c 1 | 31.5211; 14.7867; 33.4555 90; 112.551; 90 | 14401.1 | Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021 |
| 7242747 | CIF | C51 H49 N3 O2 | P 1 n 1 | 21.61054; 13.8187; 28.98487 90; 110.27; 90 | 8119.7 | Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021 |
| 7242790 | CIF | C74 H154 Mo12 N8 O36 | P -1 | 11.5075; 12.0506; 19.3113 76.208; 84.833; 85.902 | 2586.7 | Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives Physical Chemistry Chemical Physics, 2021 |
| 7242805 | CIF | C40 H34 Cl8 N4 O6 | P -1 | 8.083; 9.0956; 15.0054 82.8035; 80.0928; 71.2636 | 1026.25 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
| 7242806 | CIF | C22 H18 Cl4 N2 O5 | P -1 | 8.8026; 8.8626; 29.7363 83.6323; 85.5987; 89.666 | 2298.73 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
| 7242807 | CIF | C40 H32 Cl8 N4 O6 | P -1 | 8.1544; 8.9059; 14.8899 81.5113; 81.5921; 70.0821 | 1000.15 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
| 7242808 | CIF | C42 H38 Cl8 N4 O6 | P -1 | 12.6233; 13.3497; 16.0081 103.462; 100.435; 113.091 | 2298.7 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
| 7242809 | CIF | C36 H30 Cl8 N4 O3 | P 1 21/n 1 | 7.9812; 32.6965; 14.5964 90; 91.2751; 90 | 3808.1 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
| 7242952 | CIF | C86 H86 N36 O20 | P 1 21/c 1 | 14.3621; 24.1237; 27.1906 90; 98.023; 90 | 9328.4 | Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M. Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment Physical Chemistry Chemical Physics, 2021 |
| 7243264 | CIF | C30 H26 N4 O4 | P -1 | 9.4525; 11.1197; 14.5433 97.639; 108.409; 106.008 | 1352.99 | Witte, Felix; Rietsch, Philipp; Nirmalananthan-Budau, Nithiya; Weigert, Florian; Götze, Jan Phillip; Resch-Genger, Ute; Eigler, Siegfried; Paulus, Beate Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores Physical Chemistry Chemical Physics, 2021 |
| 7243365 | CIF | C60 H56 N8 O12 Zn4 | I 1 2/a 1 | 23.5031; 14.9393; 33.0899 90; 106.97; 90 | 11112.6 | Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021 |
| 7243366 | CIF | C54 H56 Cl2 N7 O17 Zn2 | C 1 2/c 1 | 27.9433; 13.2179; 31.7637 90; 107.063; 90 | 11215.6 | Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021 |
| 7243370 | CIF | C9 H10 B F2 N O3 | P 1 21/c 1 | 6.5253; 11.9; 13.029 90; 100.248; 90 | 995.6 | Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher Photophysical properties of a boron analogue of coumarin Physical Chemistry Chemical Physics, 2021 |
| 7243395 | CIF | C43 H80 Cr K2 N6 O17 | P 1 | 10.9523; 11.63; 12.6749 63.886; 66.66; 86.853 | 1316.98 | Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics, 2021 |
| 7243396 | CIF | C41 H72 K2 Mo N4 O17 | P 1 | 10.884; 11.6242; 12.7269 64.679; 68.734; 88.596 | 1339.97 | Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics, 2021 |
| 7243496 | CIF | C16 H11 N O2 | C 1 c 1 | 52.556; 3.8744; 24.2104 90; 103.315; 90 | 4797.3 | Ikeda, Kazuho; Yoo, Dongho; Nishikawa, Ryu; Kawamoto, Tadashi; Mori, Takehiko Charge injected proton transfer in indigo derivatives Physical Chemistry Chemical Physics, 2021 |
| 7243523 | CIF | C84 H54 N16 O6 S3 | R -3 :H | 21.023; 21.023; 30.595 90; 90; 120 | 11710.4 | Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021 |
| 7243524 | CIF | C34 H15 N9 | P 1 2/a 1 | 10.7358; 9.7979; 13.1395 90; 93.928; 90 | 1378.87 | Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021 |
| 7243525 | CIF | C77 H76 N10 O4 S2 | P -1 | 12.2334; 16.0882; 18.7919 107.984; 97.849; 90.566 | 3479.5 | Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics, 2021 |
| 7243527 | CIF | C17 H33 F6 Mo N4 O3 P | P b c a | 17.1434; 14.9459; 18.1606 90; 90; 90 | 4653.2 | Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes; Nagel, Christoph; Marquetand, Philipp; Schatzschneider, Ulrich; González, Leticia; Nuernberger, Patrick Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand Physical Chemistry Chemical Physics, 2021 |
| 7243614 | CIF | C30 H19 P S6 Se | P -1 | 8.8726; 12.5498; 25.9772 92.616; 97.874; 100.725 | 2807.7 | Yang, Zi; Zhang, Zhikai; Xue, CeCe; Yang, Kai; Gao, Rong; Yu, Na; Ren, Yi Excited-State Engineering of Oligothiophenes via Phosphorus Chemistry towards Strong Fluorescent Materials Physical Chemistry Chemical Physics, 2021 |
| 7243726 | CIF | C45 H38 Br2 N7 O2 S0.5 | P 1 21/c 1 | 15.8195; 4.6302; 26.812 90; 100.182; 90 | 1933 | Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021 |
| 7243727 | CIF | C43.88 H36.62 Br2 Cl0.62 N6 O2.62 | P 1 21/c 1 | 15.782; 4.6143; 26.78 90; 100.354; 90 | 1918.4 | Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021 |
| 7243728 | CIF | C42 H36 Br2 I0.69 N6 O2 | P 1 21/c 1 | 15.871; 4.6048; 26.839 90; 100.177; 90 | 1930.6 | Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics, 2021 |
| 7243742 | CIF | C54 H62 Cl6 F6 Ir N6 O4 P | C 1 2/c 1 | 19.554; 22.055; 15.394 90; 117.07; 90 | 5912 | Martínez-Vollbert, Emiliano; Philouze, Christian; Gautier-Luneau, Isabelle; Moreau, Yohann; Lanoë, Pierre-Henri; Loiseau, Frederique Study of a phosphorescent cationic iridium(III) complex displaying blue shift in crystals Physical Chemistry Chemical Physics, 2021 |
| 7243834 | CIF | C30 H49 N5 O4 | P 1 | 7.1986; 7.591; 28.718 84.702; 89.324; 80.32 | 1540.3 | Polacchi, Luca; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence Enhanced mechano-responsive fluorescence in polydiacetylene thin films through functionalization with tetrazine dyes: photopolymerization, energy transfer and AFM coupled to fluorescence microscopy studies Physical Chemistry Chemical Physics, 2021 |
| 7243845 | CIF | C32 H63 N O3 | P c a 21 | 8.7755; 4.8774; 72.679 90; 90; 90 | 3110.8 | Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021 |
| 7243846 | CIF | C29 H55 N O3 | C 1 2/c 1 | 135.24; 4.8798; 8.7392 90; 91.27; 90 | 5766 | Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021 |
| 7243847 | CIF | C31 H61 N O3 | C 1 2/c 1 | 144.31; 4.888; 8.748 90; 91.444; 90 | 6169 | Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021 |
| 7243848 | CIF | C2 H3.93 N0.07 O0.2 | P 1 21/c 1 | 68.97; 4.852; 8.906 90; 92.787; 90 | 2977 | Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021 |
| 7243849 | CIF | C31 H60 N O3 | C 1 2/c 1 | 143.4; 4.8764; 8.7342 90; 91.137; 90 | 6106.4 | Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics, 2021 |
| 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 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!