Crystallography Open Database
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Searching journal of publication like 'Physical chemistry chemical physics : PCCP'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7240071 | CIF | C12 H10 N4 O4 Pt | I b a m | 9.7551; 20.661; 6.334 90; 90; 90 | 1276.6 | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689 |
| 7240072 | CIF | C12 H10 N4 O4 Pt | I b a m | 9.7115; 20.57; 6.2627 90; 90; 90 | 1251.1 | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689 |
| 7240073 | CIF | C12 H10 N4 O4 Pt | I b a m | 9.6376; 20.354; 6.0986 90; 90; 90 | 1196.3 | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689 |
| 7240074 | CIF | C12 H10 N4 O4 Pt | I b a m | 9.6249; 20.271; 5.9805 90; 90; 90 | 1166.8 | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689 |
| 7240075 | CIF | C12 H10 N4 O4 Pt | I b a m | 9.5805; 20.129; 5.8077 90; 90; 90 | 1120 | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689 |
| 7240076 | CIF | C12 H10 N4 O4 Pt | I b a m | 9.5883; 20.186; 5.8532 90; 90; 90 | 1132.9 | Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions. Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689 |
| 7240097 | CIF | C19 H20 N2 O3 | C 1 2/c 1 | 16; 6.7252; 30.665 90; 98.08; 90 | 3266.9 | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705 |
| 7240098 | CIF | C17 H21 N3 O | P 1 21/c 1 | 8.949; 21.987; 8.156 90; 103.14; 90 | 1562.8 | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705 |
| 7240099 | CIF | C18 H19 N3 O | P 1 21/c 1 | 14.488; 6.787; 16.457 90; 98.99; 90 | 1598.3 | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705 |
| 7240100 | CIF | C19 H18 N4 O | P -1 | 4.875; 13.717; 14.116 112.92; 96.63; 92.67 | 859.3 | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705 |
| 7240101 | CIF | C15 H18 N4 O | P 1 21/c 1 | 7.175; 14.95; 13.418 90; 95.31; 90 | 1433.1 | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705 |
| 7240102 | CIF | C19 H18 N4 O | P 1 21/c 1 | 8.499; 8.283; 23.92 90; 94.86; 90 | 1678 | Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L. Photophysical transformations induced by chemical substitution to salicylaldimines. Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705 |
| 7240162 | CIF | B2 H11 Mg N | P n m a | 11.29376; 7.62235; 6.81817 90; 90; 90 | 586.942 | Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R. The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule. Physical chemistry chemical physics : PCCP, 2020, 22, 9204-9209 |
| 7240163 | CIF | C15 H21 O6 V | P 1 21/n 1 | 7.9785; 12.9974; 15.954 90; 90.022; 90 | 1654.43 | Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations. Physical chemistry chemical physics : PCCP, 2020, 22, 8048-8059 |
| 7240214 | CIF | C31 H28 N2 O2 | P 1 21/n 1 | 7.9995; 14.2069; 21.3942 90; 100.552; 90 | 2390.29 | Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 8522-8534 |
| 7240215 | CIF | C31 H28 N2 O2 | P -1 | 9.3283; 10.2674; 13.0289 79.338; 87.728; 73.749 | 1177.23 | Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 8522-8534 |
| 7240216 | CIF | C31 H28 N2 O2 | P 1 21/c 1 | 12.0942; 14.502; 28.554 90; 90.589; 90 | 5007.8 | Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 8522-8534 |
| 7240335 | CIF | C29 H30 Cu F18 N2 O6 | P 1 21/c 1 | 20.337; 10.3082; 19.214 90; 94.041; 90 | 4018 | Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430 |
| 7240336 | CIF | C25 H22 Cu F18 N2 O6 | P b c a | 10.0639; 19.418; 34.924 90; 90; 90 | 6824.9 | Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430 |
| 7240337 | CIF | C29 H30 F18 N2 Ni O6 | C 1 2/c 1 | 105.18; 14.433; 20.46 90; 101.531; 90 | 30433 | Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430 |
| 7240338 | CIF | C29 H30 Co F18 N2 O6 | C 1 2/c 1 | 107.271; 14.8819; 20.6549 90; 100.871; 90 | 32382 | Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids. Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430 |
| 7240348 | CIF | C58 H32 Br2 I4 N4 O4 Sn | P -1 | 8.8174; 10.8226; 15.236 99.763; 100.739; 96.909 | 1390.35 | Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins. Physical chemistry chemical physics : PCCP, 2020, 22, 11558-11566 |
| 7240349 | CIF | C58 H32 Cl2 I4 N4 O4 Sn | P -1 | 9.753; 10.7232; 15.0866 99.562; 103.457; 93.415 | 1505.21 | Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins. Physical chemistry chemical physics : PCCP, 2020, 22, 11558-11566 |
| 7240350 | CIF | C36 H27 Bi | P 1 21/n 1 | 10.0767; 20.4313; 13.8429 90; 109.817; 90 | 2681.2 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240351 | CIF | C25 H21 Bi | P 1 21 1 | 15.1772; 6.7889; 19.209 90; 99.773; 90 | 1950.51 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240352 | CIF | C24 H19 Bi I | P -1 | 9.3194; 9.6034; 12.8339 108.743; 99.713; 103.712 | 1018.57 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240353 | CIF | C24 H18 Bi2 I4 | P -1 | 9.4889; 9.9731; 14.6288 102.42; 93.506; 92.701 | 1346.9 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240354 | CIF | C12 H9 Bi Br2 | P 1 21/c 1 | 7.5467; 9.2977; 18.6372 90; 94.936; 90 | 1302.87 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240355 | CIF | C36 H27 Sb | P 1 21/n 1 | 10.0086; 20.2781; 13.7772 90; 109.442; 90 | 2636.7 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240356 | CIF | C24 H18 Bi Br | P 1 21/n 1 | 9.9115; 15.7922; 13.3369 90; 107.717; 90 | 1988.5 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240357 | CIF | C12 H9 Bi Cl2 | P 21 21 21 | 7.6237; 9.0462; 17.654 90; 90; 90 | 1217.52 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240358 | CIF | C24 H18 Bi Cl | P -1 | 9.9371; 11.3295; 17.9137 78.588; 86.69; 78.695 | 1938.16 | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211 |
| 7240475 | CIF | C42 H35 Au N P S | P -1 | 11.8146; 12.7494; 12.7733 74.285; 63.823; 83.926 | 1661.94 | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927 |
| 7240476 | CIF | C42 H53 Au N P S | P -1 | 12.571; 12.7256; 13.7715 104.775; 104.891; 111.277 | 1829.6 | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927 |
| 7240477 | CIF | C59.61 H67.34 Au N3 S | P -1 | 14.8591; 15.918; 24.8004 91.478; 98.399; 114.388 | 5261.1 | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927 |
| 7240483 | CIF | C32 H23 F7 N O5 P S2 | P b c a | 18.0015; 18.7263; 18.8837 90; 90; 90 | 6365.7 | Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311 |
| 7240484 | CIF | C32 H24 F6 N O5 P S2 | P c a 21 | 18.1884; 9.1975; 18.6788 90; 90; 90 | 3124.7 | Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311 |
| 7240485 | CIF | C26 H19 F7 N O4 P S2 | P -1 | 9.5981; 13.6324; 22.2398 102.938; 92.159; 109.211 | 2658.5 | Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311 |
| 7240486 | CIF | C32 H23 F7 N O5 P S2 | P 1 21/n 1 | 18.0534; 19.0695; 20.2712 90; 114.239; 90 | 6363.5 | Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment. Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311 |
| 7240623 | CIF | C27 H25 N7 O15 Th | P 1 21/c 1 | 9.8122; 20.4453; 15.9721 90; 104.283; 90 | 3105.2 | Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308 |
| 7240624 | CIF | C27 H25 N7 O15 U | P 1 21/c 1 | 9.8225; 20.3779; 15.9018 90; 104.149; 90 | 3086.4 | Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308 |
| 7240625 | CIF | C27 H25 N7 Np O15 | P 1 21/c 1 | 9.8352; 20.3151; 15.8431 90; 103.807; 90 | 3074 | Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308 |
| 7240626 | CIF | C27 H25 N7 O15 Pu | P 1 21/c 1 | 9.8486; 20.3166; 15.8306 90; 103.965; 90 | 3073.9 | Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu. Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308 |
| 7240678 | CIF | C10 H9 N O2 S | P 21 21 21 | 5.2044; 14.896; 25.4784 90; 90; 90 | 1975.21 | Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study. Physical chemistry chemical physics : PCCP, 2020, 22, 14868-14874 |
| 7240826 | CIF | C44 H53 Au N P S | P -1 | 10.5754; 14.0285; 14.1291 106.091; 98.004; 106.36 | 1878.03 | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927 |
| 7240827 | CIF | C44 H35 Au N P S | P -1 | 8.7524; 13.692; 16.4993 114.397; 90.4473; 103.778 | 1736.22 | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927 |
| 7240828 | CIF | C53.78 H57.57 Au Cl1.57 N3 S | P 21 21 21 | 15.0586; 17.686; 19.2675 90; 90; 90 | 5131.4 | Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G. Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties. Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927 |
| 7240937 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.97809; 8.97809; 6.4585 90; 90; 90 | 520.59 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240938 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.7712; 8.7712; 6.2436 90; 90; 90 | 480.34 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240939 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.9435; 8.9435; 6.4253 90; 90; 90 | 513.94 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240940 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.7949; 8.7949; 6.273 90; 90; 90 | 485.22 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240941 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.7425; 8.7425; 6.2161 90; 90; 90 | 475.1 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240942 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.8591; 8.8591; 6.3339 90; 90; 90 | 497.11 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240943 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.8963; 8.8963; 6.3753 90; 90; 90 | 504.57 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240944 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.722; 8.722; 6.1933 90; 90; 90 | 471.14 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240945 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.6076; 8.6076; 6.0602 90; 90; 90 | 449 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240946 | CIF | Cl4 H12 N4 Pt2 | P 4/m n c | 8.6538; 8.6538; 6.122 90; 90; 90 | 458.47 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240947 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.3266; 10.3266; 6.4805 90; 90; 90 | 691.07 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240948 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.3078; 10.3078; 6.4712 90; 90; 90 | 687.57 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240949 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.35151; 10.35151; 6.4977 90; 90; 90 | 696.25 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240950 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.1452; 10.1452; 6.3581 90; 90; 90 | 654.41 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240951 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.0908; 10.0908; 6.3306 90; 90; 90 | 644.6 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240952 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.056; 10.056; 6.32 90; 90; 90 | 639.1 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240953 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.1964; 10.1964; 6.3876 90; 90; 90 | 664.1 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240954 | CIF | C4 H20 Cl4 N4 Pt2 | P 4/m n c | 10.2482; 10.2482; 6.4309 90; 90; 90 | 675.41 | Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure. Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676 |
| 7240975 | CIF | C23 H15 N3 | P 1 21/c 1 | 8.4001; 27.6987; 7.49 90; 99.621; 90 | 1718.2 | Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli. Physical chemistry chemical physics : PCCP, 2020, 22, 19195-19201 |
| 7241040 | CIF | C34 H24 O2 | P 1 21/n 1 | 6.0757; 16.4664; 11.9301 90; 98.44; 90 | 1180.62 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241041 | CIF | C34 H24 O2 | P -1 | 10.3715; 10.426; 12.2917 92.1911; 108.336; 108.655 | 1181.03 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241042 | CIF | C41 H32 O2 | C 1 2/c 1 | 31.5547; 6.137; 17.2488 90; 119.126; 90 | 2917.9 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241043 | CIF | C34 H24 O2 | P 1 21 1 | 6.0678; 16.401; 11.9151 90; 98.556; 90 | 1172.6 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241044 | CIF | C40 H29 Cl O2 | C 1 2/c 1 | 31.3116; 6.1363; 17.3304 90; 118.835; 90 | 2917 | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863 |
| 7241108 | CIF | C24 H28 Cl4 N4 O4 | P 1 21/c 1 | 9.8228; 15.994; 18.5143 90; 104.008; 90 | 2822.2 | Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric Counterintuitive torsional barriers controlled by hydrogen bonding. Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611 |
| 7241109 | CIF | C24 H26 O6 | P -1 | 9.6496; 12.0424; 19.8345 81.278; 82.463; 70.074 | 2134 | Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric Counterintuitive torsional barriers controlled by hydrogen bonding. Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611 |
| 7241148 | CIF | C19 H21 B O3 | P 1 21/n 1 | 6.3536; 11.4414; 23.5584 90; 92.688; 90 | 1710.67 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241149 | CIF | C19 H21 B O3 | P 1 21/n 1 | 6.27903; 10.62604; 25.7596 90; 91.8497; 90 | 1717.82 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241150 | CIF | C19 H21 B O3 | P 1 21/c 1 | 12.4558; 12.11252; 12.7411 90; 113.325; 90 | 1765.16 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241151 | CIF | C19 H21 B O3 | P 1 21/c 1 | 8.73519; 9.35255; 21.1327 90; 101.428; 90 | 1692.23 | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452 |
| 7241237 | CIF | C11 H13 N5 O5 S2 | C 1 2/c 1 | 28.8618; 7.5904; 14.3121 90; 104.306; 90 | 3038.2 | Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L. Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods. Physical chemistry chemical physics : PCCP, 2020, 22, 20867-20879 |
| 7241296 | CIF | C20 H11 F3 N3 O | P 1 21/n 1 | 7.5809; 19.0996; 11.1263 90; 104.022; 90 | 1563 | Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics. Physical chemistry chemical physics : PCCP, 2020, 22, 23637-23644 |
| 7241361 | CIF | C42 H20 B F24 S8 | P 1 21/c 1 | 10.1692; 22.6293; 20.9402 90; 91.6312; 90 | 4816.8 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241362 | CIF | C7 H10 B11 Br6 S4 | P 1 21/m 1 | 8.1423; 13.7726; 10.2776 90; 92.209; 90 | 1151.68 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241363 | CIF | C85 H50 B2 Cl2 F48 Se8 | P -1 | 13.8745; 14.2009; 26.1484 93.003; 99.251; 106.843 | 4840.1 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241364 | CIF | C42 H24 B F24 Se4 | P -1 | 10.4486; 14.0122; 15.7753 89.036; 83.401; 81.206 | 2267.35 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241365 | CIF | C23 H44 B11 S8 | P -1 | 14.9617; 15.7799; 17.0816 111.658; 101.268; 94.4328 | 3626.2 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241366 | CIF | C12 H16 B11 Br6 Cl2 S8 | P 1 21/c 1 | 11.0183; 11.7862; 26.111 90; 92.046; 90 | 3388.7 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241367 | CIF | C11 H18 B11 Br6 Se4 | P 1 21/c 1 | 8.8819; 21.3136; 15.0603 90; 92.345; 90 | 2848.6 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241368 | CIF | C70 H146 B33 Cl2 Se12 | P 1 21/c 1 | 9.1263; 74.893; 15.658 90; 104.505; 90 | 10361 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241369 | CIF | C11 H18 B11 Br6 S4 | P 1 21/c 1 | 9.0536; 20.5662; 15.0317 90; 96.2939; 90 | 2782 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241370 | CIF | C23 H48 B11 S4 | P -1 | 9.0883; 9.2043; 10.2496 83.788; 76.145; 85.976 | 826.7 | Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V. Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues. Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065 |
| 7241380 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.6059; 10.3846; 17.1139 90; 96.948; 90 | 1871.05 | Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352 |
| 7241381 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.6198; 10.3883; 17.0912 90; 97.256; 90 | 1870.4 | Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352 |
| 7241382 | CIF | C12 H30 Cl14 N4 O4 W6 | P 1 21/n 1 | 10.892; 10.536; 17.354 90; 98.397; 90 | 1970.2 | Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N. Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies. Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352 |
| 7241650 | CIF | C14 H17 F6 O P Ru | P 21 21 21 | 9.5873; 12.2766; 12.9471 90; 90; 90 | 1523.87 | Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810 |
| 7241651 | CIF | C15 H29 B11 O Ru | P 1 21/c 1 | 9.59; 22.809; 9.636 90; 94.756; 90 | 2100.5 | Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810 |
| 7241652 | CIF | C15 H29 B11 O Ru | P -1 | 8.7042; 10.1448; 12.0722 99.046; 95.893; 96.477 | 1038.1 | Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex. Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810 |
| 7241701 | CIF | C27 H41 Cu F6 N2 O1.5 Sb | R 3 c :H | 27.8; 27.8; 21.5997 90; 90; 120 | 14456.7 | Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species. Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583 |
| 7241702 | CIF | C22 H37 Au F6 N O Sb | P b c a | 12.932; 16.4501; 24.4593 90; 90; 90 | 5203.3 | Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species. Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583 |
| 7241703 | CIF | C22 H37 Cu F6 N O Sb | P 1 21/c 1 | 8.4439; 11.196; 27.3426 90; 97.227; 90 | 2564.38 | Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species. Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583 |
| 7241704 | CIF | C12 H17 N O2 S | P 21 21 21 | 6.27149; 13.8374; 14.1502 90; 90; 90 | 1227.97 | Scholten, Kevin; Engelage, Elric; Merten, Christian Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions. Physical chemistry chemical physics : PCCP, 2020, 22, 27979-27986 |
| 7242120 | CIF | C23 H34 Br I2 N | P 1 21/m 1 | 7.8843; 14.5796; 11.56 90; 97.065; 90 | 1318.73 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7242121 | CIF | C26 H40 Br I2 N | P 1 2/c 1 | 17.9505; 8.6914; 18.8483 90; 90.616; 90 | 2940.4 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7242122 | CIF | C22 H32 Br I2 N | P 1 2/n 1 | 9.9332; 8.8016; 14.5701 90; 98.374; 90 | 1260.25 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7242123 | CIF | C10 H4 I2 | P 1 21/n 1 | 4.1533; 17.1541; 7.0511 90; 95.332; 90 | 500.19 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7243961 | CIF | C6 H3 Br N2 S | P -1 | 7.1075; 7.197; 7.635 68.754; 76.414; 69.876 | 339.06 | Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C. Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers. Physical chemistry chemical physics : PCCP, 2021 |
| 7243962 | CIF | C12 H8 N2 O2 S2 | P 1 21/c 1 | 3.8786; 21.357; 13.401 90; 96.283; 90 | 1103.4 | Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C. Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers. Physical chemistry chemical physics : PCCP, 2021 |
| 7244027 | CIF | C24 H48 B2 F8 Fe0.66 N24 Ru0.34 | R -3 :H | 10.8269; 10.8269; 32.0261 90; 90; 120 | 3251.2 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244028 | CIF | C24 H48 B2 F8 Fe0.66 N24 Ru0.34 | R -3 :H | 10.7344; 10.7344; 32.0067 90; 90; 120 | 3193.9 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244029 | CIF | C24 H48 B2 F8 N24 Ru | R -3 :H | 10.79309; 10.79309; 32.1264 90; 90; 120 | 3241.04 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244030 | CIF | C24 H48 B2 F8 N24 Ru | R -3 :H | 10.77425; 10.77425; 31.8415 90; 90; 120 | 3201.09 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244031 | CIF | C24 H48 B2 F8 N24 Ru | P -1 | 11.7827; 10.88012; 16.3802 90.9202; 99.0617; 89.4706 | 2073.37 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244100 | CIF | C18 H16 F3 N3 O3 S3 | P -1 | 10.4325; 11.403; 18.4984 107.755; 96.663; 92.537 | 2074.24 | Dubey, Gurudutt; Mahawar, Nutan; Singh, Tejender; Saha, Nirjhar; Sahoo, Subash C.; Bharatam, Prasad V. Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N<sup>+</sup> center. Physical chemistry chemical physics : PCCP, 2022, 24, 629-633 |
| 7244101 | CIF | C13 H14 N2 O2 S | P -1 | 7.6003; 9.7756; 9.7883 96.092; 103.963; 111.34 | 642.06 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244102 | CIF | C15 H15 N2 O2 S | P -1 | 9.1303; 9.5438; 18.2326 86.92; 78.265; 66.827 | 1429.43 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244103 | CIF | C27 H22 N4 O2 | P -1 | 9.1477; 10.3739; 25.486 89.281; 79.975; 67.01 | 2188.4 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244104 | CIF | C25 H20 N4 O5 | C 1 2/c 1 | 13.5492; 7.4023; 21.4841 90; 100.382; 90 | 2119.5 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244105 | CIF | C25 H18 N4 O2 | P 1 21/n 1 | 7.7678; 5.8296; 42.625 90; 91.468; 90 | 1929.56 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244107 | CIF | C34 H24 B N S3 | P 1 | 10.1902; 10.2138; 28.5888 88.437; 86.185; 69.035 | 2772.38 | Wang, Rui; Song, Kai; Wei, Caiyun; Hong, Wenjing; Zang, Yaping; Qu, Dahui; Li, Hongxiang Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions. Physical chemistry chemical physics : PCCP, 2022, 24, 2227-2233 |
| 7244163 | CIF | C9 H13 N O3 | P 1 21 1 | 13.0612; 5.4197; 13.8643 90; 102.611; 90 | 957.75 | Gong, Yaxiang; Wei, Yuanfeng; Gao, Yuan; Pang, Zunting; Zhang, Jianjun; Qian, Shuai The bending behavior of an L-phenylalanine monohydrate soft crystal <i>via</i> reversible hydrogen bond rupture and remodeling. Physical chemistry chemical physics : PCCP, 2022, 24, 3216-3221 |
| 7244164 | CIF | C26 H22 N2 | P -1 | 6.1471; 17.7972; 20.5612 76.086; 81.665; 86.606 | 2159.66 | Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964 |
| 7244165 | CIF | C26 H22 N2 O | P 43 21 2 | 10.1318; 10.1318; 39.042 90; 90; 90 | 4007.8 | Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964 |
| 7244166 | CIF | C26 H22 N2 | P -1 | 9.1427; 10.2655; 11.2401 76.016; 84.388; 76.867 | 995.87 | Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964 |
| 7245739 | CIF | C3 H6 O | P 1 21/a 1 | 8.9833; 4.2238; 9.4734 90; 97.508; 90 | 356.37 | Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques. Physical chemistry chemical physics : PCCP, 2021, 24, 122-128 |
| 7245944 | CIF | C27 H24 F4 O2 | P 1 21/n 1 | 7.7001; 26.8744; 11.3043 90; 99.2084; 90 | 2309.12 | Rozwadowski, Tomasz; Noda, Hiroshi; Kolek, Łukasz; Ito, Mizuki; Yamamura, Yasuhisa; Saitoh, Hideki; Saito, Kazuya Molecular dynamics and kinetics of isothermal cold crystallization with tunable dimensionality in a molecular glass former, 5'-(2,3-difluorophenyl)-2'-ethoxy-4-pentyloxy-2,3-difluorotolane. Physical chemistry chemical physics : PCCP, 2022, 25, 724-735 |
| 7245983 | CIF | C33 H30 O3 | P 1 21/c 1 | 21.3546; 8.2429; 27.6061 90; 102.563; 90 | 4743 | Salla, Cristian A. M.; Farias, Giliandro; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Murat, Aydemir; de Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H. The effect of substituents and molecular aggregation on the room temperature phosphorescence of a twisted π-system. Physical chemistry chemical physics : PCCP, 2022, 25, 684-689 |
| 7246057 | CIF | C99 H102 Cu3 N7 O8 S7 | P -1 | 12.2143; 14.3299; 28.9827 94.412; 100.883; 110.808 | 4599.03 | Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars Light emission mechanism in dimers of carbene-metal-amide complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 3220-3231 |
| 7246058 | CIF | C121 H134 Cu4 N8 O8 S8 | P 1 21/c 1 | 13.1244; 35.681; 14.415 90; 116.81; 90 | 6024.8 | Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars Light emission mechanism in dimers of carbene-metal-amide complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 3220-3231 |
| 7246148 | CIF | C43 H27 N3 O6 | P 1 21/m 1 | 8.8004; 18.927; 11.5824 90; 105.01; 90 | 1863.4 | Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions. Physical chemistry chemical physics : PCCP, 2023, 25, 5459-5467 |
| 7246149 | CIF | C56 H57 Co N3 O6 | C 1 2/c 1 | 19.8607; 18.497; 12.9906 90; 102.711; 90 | 4655.3 | Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions. Physical chemistry chemical physics : PCCP, 2023, 25, 5459-5467 |
| 7246150 | CIF | C46 H27 Co N3 O6 | R -3 c :H | 13.8716; 13.8716; 33.7979 90; 90; 120 | 5632.14 | Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions. Physical chemistry chemical physics : PCCP, 2023, 25, 5459-5467 |
| 7246167 | CIF | C26 H22 B F3 N P | P -1 | 10.1902; 13.3195; 18.9127 70.363; 83.801; 69.417 | 2263.21 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246168 | CIF | C25 H22 B F4 P | P 1 21/c 1 | 9.4958; 21.5696; 11.1131 90; 107.745; 90 | 2167.9 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246169 | CIF | C27 H24 B N2 P | P 1 21/n 1 | 9.5349; 14.5833; 16.4465 90; 98.44; 90 | 2262.12 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246170 | CIF | C27 H22 B F2 N2 P | P 1 21/c 1 | 13.3421; 17.2505; 20.2011 90; 93.974; 90 | 4638.26 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246171 | CIF | C28 H23 B N3 P | P b c a | 13.4269; 17.485; 20.6372 90; 90; 90 | 4844.98 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246172 | CIF | C28 H22 B F N3 P | P b c a | 13.4477; 17.6586; 20.6374 90; 90; 90 | 4900.71 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246173 | CIF | C29 H22 B N4 P | P -1 | 8.9003; 11.636; 13.5576 111.524; 90.565; 100.936 | 1277.58 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246174 | CIF | C26 H25 B N P | P -1 | 9.9936; 13.0398; 18.8613 70.179; 83.275; 71.674 | 2194.86 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246175 | CIF | C27 H23 B F N2 P | P -1 | 9.8978; 21.7519; 21.8961 92.669; 90.076; 92.765 | 4703.52 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246211 | CIF | C20 H16 N2 O7 | P 21 21 21 | 8.2281; 10.5056; 21.3512 90; 90; 90 | 1845.62 | Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing. Physical chemistry chemical physics : PCCP, 2023, 25, 5849-5856 |
| 7246212 | CIF | C57 H49 Cl3 N8 O28 | P 1 21 1 | 13.9471; 13.6917; 16.7692 90; 101.73; 90 | 3135.36 | Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing. Physical chemistry chemical physics : PCCP, 2023, 25, 5849-5856 |
| 7246213 | CIF | C17 H18 N2 O7 | C 1 2 1 | 58.307; 6.7934; 9.0204 90; 92.252; 90 | 3570.25 | Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing. Physical chemistry chemical physics : PCCP, 2023, 25, 5849-5856 |
| 7246355 | CIF | H6 La3 Na3 O27 S6 | P 31 | 7.0227; 7.0227; 12.945 90; 90; 120 | 552.89 | Azeroual, H.; Bantignies, J.-L.; Maurin, D.; Granier, D.; Haines, J.; Cambon, O.; Hermet, P. Highlights on the reversible nonpolar-to-polar <i>P</i>3<sub>1</sub>21-<i>P</i>3<sub>1</sub> phase transition at low temperature in NaLa(SO<sub>4</sub>)<sub>2</sub>·H<sub>2</sub>O: mechanism and piezoelectric properties. Physical chemistry chemical physics : PCCP, 2023, 25, 8168-8179 |
| 7246414 | CIF | C8 F8 O S | P 1 21/n 1 | 5.59344; 16.8308; 10.18927 90; 93.3318; 90 | 957.62 | Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 9394-9403 |
| 7246415 | CIF | C8 H5 F3 O S | P 1 21/c 1 | 8.0609; 5.4728; 19.87 90; 96.277; 90 | 871.32 | Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 9394-9403 |
| 7246420 | CIF | C228 H168 Ag17 Au10 Cl5 F36 P10 S6 | P 1 21/n 1 | 25.8454; 30.9591; 33.6076 90; 100.869; 90 | 26408.7 | Ma, Along; Wang, Jiawei; Kong, Jie; Ren, Yonggang; Wang, Yuxuan; Ma, Xiaoshuang; Zhou, Meng; Wang, Shuxin Au<sub>10</sub>Ag<sub>17</sub>(TPP)<sub>10</sub>(SR)<sub>6</sub>Cl<sub>5</sub> nanocluster: structure, transformation and the origin of its photoluminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 9772-9778 |
| 7246421 | CIF | C32 H19 N4 O4 Zn | P -1 | 10.4776; 11.3099; 11.4836 75.205; 73.441; 73.736 | 1229.18 | Qi, Shengsheng; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming A Zn-coordination polymer as a multifunctional fluorescent probe for the detection of V<sub>2</sub>O<sub>7</sub><sup>4-</sup>, Fe<sup>3+</sup>, and <i>p</i>-nitrotoluene. Physical chemistry chemical physics : PCCP, 2023, 25, 10090-10096 |
| 7246426 | CIF | C12 H28 Cl2 Mo N2 O2 | R 3 c :H | 27.6725; 27.6725; 12.4913 90; 90; 120 | 8283.9 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7246427 | CIF | C24 H57 Cl4 Mo2 N5 O2 | P -1 | 9.9569; 11.9148; 16.1787 82.1846; 81.8216; 74.5167 | 1821.19 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7246428 | CIF | C32 H77 Cl7 Mo3 N7 O2 | P -1 | 11.6961; 15.988; 16.238 113.368; 108.738; 97.767 | 2516.4 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7246440 | CIF | C12 H10 | P m c 21 | 14.008; 8.2826; 7.2443 90; 90; 90 | 840.5 | Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP, 2023, 25, 11464-11476 |
| 7246441 | CIF | C12 H10 | P m c 21 | 13.8982; 8.2537; 7.154 90; 90; 90 | 820.65 | Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP, 2023, 25, 11464-11476 |
| 7246442 | CIF | C12 H10 | P m c 21 | 13.8073; 8.2291; 7.0858 90; 90; 90 | 805.1 | Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP, 2023, 25, 11464-11476 |
| 7246466 | CIF | C16 H52 B4 Gd N | P 1 21/c 1 | 11.09; 19.997; 14.7492 90; 128.282; 90 | 2567.5 | Magott, Michał; Wegner, Wojciech Approaching the free-ion limit in magnetically isotropic gadolinium(III) <i>via</i> borohydride ligands. Physical chemistry chemical physics : PCCP, 2023, 25, 10689-10696 |
| 7246469 | CIF | C10 H11 I N2 | F d d d :2 | 6.721; 19.9988; 32.6212 90; 90; 90 | 4384.7 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246470 | CIF | C12 H15.25 Br N2 O0.12 | P 1 21/c 1 | 15.3346; 15.1704; 10.1934 90; 91.8457; 90 | 2370.08 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246471 | CIF | C5 H5 I N2 | I 4/m m m | 10.3872; 10.3872; 13.2209 90; 90; 90 | 1426.45 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246472 | CIF | C5 H7 I2 N3 | P 61 | 7.0916; 7.0916; 31.4164 90; 90; 120 | 1368.28 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246473 | CIF | C12 H13 I3 N2 O2 | P 21 21 21 | 8.2027; 13.5124; 14.3668 90; 90; 90 | 1592.39 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246474 | CIF | C10 H13 I N2 O | P 1 21/c 1 | 7.3757; 19.8901; 8.6493 90; 114.402; 90 | 1155.53 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246475 | CIF | C6 H8 I N S | P 1 21/c 1 | 6.9824; 15.4554; 7.8105 90; 91.042; 90 | 842.74 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246526 | CIF | C10 H4 Br4 N2 | P 1 21 1 | 7.9676; 8.5676; 9.6639 90; 105.119; 90 | 636.85 | Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions. Physical chemistry chemical physics : PCCP, 2023, 25, 11493-11500 |
| 7246527 | CIF | C10 H4 Br4 N2 | P 1 21/c 1 | 6.2037; 6.6476; 15.677 90; 95.856; 90 | 643.14 | Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions. Physical chemistry chemical physics : PCCP, 2023, 25, 11493-11500 |
| 7246528 | CIF | C10 H4 Br4 N2 | P 1 21/n 1 | 9.7944; 9.9395; 13.1845 90; 97.554; 90 | 1272.4 | Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions. Physical chemistry chemical physics : PCCP, 2023, 25, 11493-11500 |
| 7246547 | CIF | C30 H34 Dy2 N12 O12 | P 1 21/n 1 | 11.302; 14.387; 11.454 90; 105.017; 90 | 1798.8 | Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations. Physical chemistry chemical physics : PCCP, 2023, 25, 11717-11724 |
| 7246548 | CIF | C30 H46 Dy2 N12 O18 | P -1 | 9.182; 10.72; 12.462 86.385; 88.762; 67.666 | 1132.4 | Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations. Physical chemistry chemical physics : PCCP, 2023, 25, 11717-11724 |
| 7246564 | CIF | C19 H18 B F3 N2 S | P -1 | 7.3747; 8.7258; 13.7648 80.5679; 82.5851; 86.1805 | 865.55 | Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl A new green-to-blue upconversion system with efficient photoredox catalytic properties. Physical chemistry chemical physics : PCCP, 2023, 25, 12041-12049 |
| 7246565 | CIF | C19 H17 B Br F3 N2 S | P -1 | 16.7902; 16.967; 17.0009 117.894; 101.58; 107.565 | 3729.8 | Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl A new green-to-blue upconversion system with efficient photoredox catalytic properties. Physical chemistry chemical physics : PCCP, 2023, 25, 12041-12049 |
| 7246623 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.9201; 18.1588; 18.7085 90; 119.419; 90 | 5302.9 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246624 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.0591; 17.8559; 18.1668 90; 117.356; 90 | 4914.9 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246625 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.84431; 18.07445; 18.68645 90; 119.136; 90 | 5264.28 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246626 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.09; 17.886; 18.179 90; 117.147; 90 | 4944.7 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246640 | CIF | C18 H20 B10 | P -1 | 10.227; 13.29; 14.005 105.691; 95.959; 90.075 | 1821.8 | Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene. Physical chemistry chemical physics : PCCP, 2023, 25, 11839-11844 |
| 7246641 | CIF | C18 H20 B10 | P 1 21/n 1 | 10.943; 11.516; 14.661 90; 90.013; 90 | 1847.6 | Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene. Physical chemistry chemical physics : PCCP, 2023, 25, 11839-11844 |
| 7246661 | CIF | C18 H18 N6 O7 Zn | P 1 21/c 1 | 13.1168; 14.3578; 11.4115 90; 114.778; 90 | 1951.3 | Ke, Hao-Wei; Sung, Kuangsen 7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence? Physical chemistry chemical physics : PCCP, 2023, 25, 14627-14634 |
| 7246662 | CIF | C18 H18 N4 O | P 1 21/c 1 | 29.3977; 12.9915; 8.0412 90; 94.861; 90 | 3060.05 | Ke, Hao-Wei; Sung, Kuangsen 7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence? Physical chemistry chemical physics : PCCP, 2023, 25, 14627-14634 |
| 7246729 | CIF | C4 H5 Br2 Cu N O S | P 1 21/n 1 | 3.9875; 15.785; 13.2012 90; 96.532; 90 | 825.53 | Coetzee, Stefan; Turnbull, Mark M.; Landee, Christopher P.; Monroe, Jeffrey C.; Deumal, Mercè; Novoa, Juan J.; Rademeyer, Melanie Satellite ligand effects on magnetic exchange in dimers. A structural, magnetic and theoretical investigation of Cu<sub>2</sub>L<sub>2</sub>X<sub>4</sub> (L = methylisothiazolinone and X = Cl<sup>-</sup>, Br<sup>-</sup>). Physical chemistry chemical physics : PCCP, 2023, 25, 9176-9187 |
| 7246757 | CIF | C72 H50 | P b c a | 15.3557; 24.0251; 27.6817 90; 90; 90 | 10212.4 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246758 | CIF | C78 H55 N O2 | P -1 | 11.0348; 11.8689; 23.7364 87.797; 87.113; 65.626 | 2827.6 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246759 | CIF | C79 H58 | P -1 | 11.0605; 11.8611; 23.6616 88.391; 86.937; 65.319 | 2816.5 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246760 | CIF | C72 H50 | P -1 | 14.9441; 15.009; 24.0523 93.926; 104.887; 91.282 | 5197 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246761 | CIF | C20 H22 N2 O2 | C 1 c 1 | 15.7967; 11.6889; 9.4813 90; 97.276; 90 | 1736.59 | Lakhani, Pratikkumar; Chodvadiya, Darshil; Jha, Prafulla K.; Gupta, Vivek Kumar; Trzybiński, Damian; Wozniak, Krzysztof; Kurzydłowski, Krzysztof; Goutam, U. K.; Srivastava, Himanshu; Modi, Chetan K. DFT stimulation and experimental insights of chiral Cu(II)-salen scaffold within the pocket of MWW-zeolite and its catalytic study. Physical chemistry chemical physics : PCCP, 2023, 25, 14374-14386 |
| 7246762 | CIF | C17 H16 N2 | P -1 | 10.2581; 10.4004; 26.808 79.118; 80.982; 89.642 | 2773.1 | Nakanishi, W.; Matsushita, Y.; Takeuchi, M.; Sagisaka, K. Dipole-moment-induced supramolecular assembly of a donor-acceptor-type molecule on a metal surface and in a crystal. Physical chemistry chemical physics : PCCP, 2023, 25, 13702-13707 |
| 7246773 | CIF | C7 H14 O6 | P 21 21 21 | 7.7218; 8.491; 13.0382 90; 90; 90 | 854.86 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246774 | CIF | C7 H16 O7 | P 21 21 21 | 6.105; 7.4158; 21.1354 90; 90; 90 | 956.87 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246775 | CIF | C7 H14 O6 | P 21 21 21 | 5.2396; 11.2244; 14.6702 90; 90; 90 | 862.77 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246776 | CIF | C7 H14 O6 | P 21 21 21 | 5.2406; 11.2187; 14.6715 90; 90; 90 | 862.58 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246777 | CIF | C14 H30 O13 | P 41 21 2 | 7.3491; 7.3491; 34.1307 90; 90; 90 | 1843.37 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246778 | CIF | C7 H15 O6.5 | P 41 21 2 | 7.3472; 7.3472; 34.1458 90; 90; 90 | 1843.24 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246779 | CIF | C7 H14 O6 | P 21 21 21 | 9.262; 9.3748; 9.9796 90; 90; 90 | 866.52 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246790 | CIF | C27 H23 Cu0.5 F3 N P1.5 | P -3 c 1 | 19.756; 19.756; 20.2456 90; 90; 120 | 6843.2 | Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy. Physical chemistry chemical physics : PCCP, 2023, 25, 15873-15884 |
| 7246810 | CIF | C52 H48 Cd2 N4 O19 | P -1 | 10.116; 10.401; 13.707 92.118; 106.385; 116.737 | 1212.9 | Song, Xiaoming; Dong, Wenzhuo; Hou, Xiufang; Zhao, Qingxia; Zhang, Zhuangzhuang; Ren, Yixia The high fluorescence sensitivity property and quenching mechanism of one-dimensional Cd-HCIA-1 sensor for nitrobenzene. Physical chemistry chemical physics : PCCP, 2023, 25, 14907-14917 |
| 7246847 | CIF | C15 H21 Cl2 N3 O2 | P -1 | 7.0963; 9.7638; 12.7882 111.519; 96.992; 92.865 | 813.85 | Mojzych, Ilona; Zawadzka, Anna; Kaczyńska, Katarzyna; Wojciechowski, Piotr; Zając, Dominika; Chotkowski, Maciej; Wiktorska, Katarzyna; Maurin, Jan K.; Mazur, Maciej A tetrahydroacridine derivative and its conjugate with gold nanoparticles: promising agents for the treatment of Alzheimer's disease. Physical chemistry chemical physics : PCCP, 2023, 25, 16796-16806 |
| 7246848 | CIF | C48 H61 B F4 N2 O | P 1 21 1 | 17.0916; 17.0966; 17.6141 90; 118.3; 90 | 4531.8 | Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids. Physical chemistry chemical physics : PCCP, 2023, 25, 15463-15468 |
| 7246849 | CIF | C73.5 H54 B2 Cl3 F30 N3 O | P -1 | 14.6277; 16.6892; 17.0756 112.68; 96.2268; 105.711 | 3594.61 | Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids. Physical chemistry chemical physics : PCCP, 2023, 25, 15463-15468 |
| 7246850 | CIF | C28 H34 F3 Fe2 I N2 | P 21 21 21 | 5.7701; 11.1748; 42.916 90; 90; 90 | 2767.2 | Kreienborg, Nora M.; Otte, Felix; Strohmann, Carsten; Merten, Christian Simultaneous observation of halogen-lone pair and halogen-π interactions of ferrocene derivatives under cryogenic conditions. Physical chemistry chemical physics : PCCP, 2023, 25, 15110-15114 |
| 7246944 | CIF | C42 H26 N2 O4 | C 1 2/c 1 | 25.526; 5.3037; 23.743 90; 116.39; 90 | 2879.4 | Sosorev, Andrey Yu; Ponomarev, Igor I.; Dominskiy, Dmitry I.; Lyssenko, Konstantin A.; Parashchuk, Olga D.; Trukhanov, Vasily A.; Konstantinov, Vladislav G.; Dubinets, Nikita O.; Paraschuk, Dmitry Yu Structure and properties of naphthalene-diimide <i>N</i>-functionalized with stilbene. Physical chemistry chemical physics : PCCP, 2023, 25, 19562-19575 |
| 7246960 | CIF | C7 H5 N S | P 1 21/c 1 | 8.8648; 4.5145; 16.948 90; 97.83; 90 | 671.94 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
| 7246961 | CIF | C5 H4 O S | P 1 21/n 1 | 7.23; 7.9881; 8.7762 90; 91.799; 90 | 506.61 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
| 7246962 | CIF | C5 H4 O S | P 21 21 21 | 5.5255; 5.9089; 16.0342 90; 90; 90 | 523.511 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
| 7246963 | CIF | C8 H4 F3 N S | P 1 21/c 1 | 13.2687; 7.8122; 8.0302 90; 91.369; 90 | 832.15 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
| 7246964 | CIF | C5 H3 Br O S | P 1 21/c 1 | 4.1013; 8.5014; 17.1726 90; 90.856; 90 | 598.69 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
| 7246973 | CIF | C228 H234 Ag10 Cu16 F24 O19 P4 S16 | P 1 21/n 1 | 18.3848; 34.2944; 18.6956 90; 96.282; 90 | 11716.7 | Sun, Xueli; Li, Simin; Tian, Guolong; Gao, Yanli; Wei, Jianyu; Shen, Hui Ag<sub>10</sub>Cu<sub>16</sub> nanoclusters with triple-ligand protection: total structure and electronic structure analysis. Physical chemistry chemical physics : PCCP, 2023, 25, 17901-17906 |
| 7246983 | CIF | C18 H20 O4 | P b c a | 5.214; 23.4393; 25.016 90; 90; 90 | 3057.27 | Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent. Physical chemistry chemical physics : PCCP, 2023, 25, 18481-18494 |
| 7246995 | CIF | C15 H11 N O3 S | P c a 21 | 27.449; 5.9185; 7.8408 90; 90; 90 | 1273.8 | Bhattacharyya, Arghyadeep; Bhakta, Viki; Guchhait, Nikhil Structural isomerism induces pH dependent AIE-coupled ESIPT: an in-depth spectroscopic exploration with application in amine vapor sensing. Physical chemistry chemical physics : PCCP, 2023, 25, 17482-17495 |
| 7246997 | CIF | C3 H2 N6 O6 | C 1 c 1 | 9.5399; 8.8744; 10.5124 90; 116.97; 90 | 793.2 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
| 7246998 | CIF | C3 H2 N6 O6 | P 1 21/n 1 | 7.0555; 12.4013; 9.011 90; 102.052; 90 | 771.06 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
| 7246999 | CIF | C3 H5 N7 O7 | P 1 n 1 | 4.882; 10.0306; 8.9963 90; 95.203; 90 | 438.73 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
| 7247000 | CIF | C3 H7 N7 O8 | P 1 21/c 1 | 6.4647; 15.866; 10.027 90; 96.745; 90 | 1021.3 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
| 7247023 | CIF | C34 H30 N2 O2 S | P 1 21/c 1 | 15.6071; 10.1092; 19.5816 90; 110.641; 90 | 2891.2 | Kumar, Krishan; Karmakar, Anirban; Chen, Feng-Rong; Jou, Jwo-Huei; Ghosh, Subrata; Banik, Subrata; Kumar, Sunil Rationally heteroarylated pyridines as hole transport materials for OLEDs. Physical chemistry chemical physics : PCCP, 2023, 25, 19648-19659 |
| 7247120 | CIF | C21 H15 F3 N3 O | P -1 | 4.5991; 10.1298; 19.1657 79.202; 83.246; 77.704 | 854.15 | Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical. Physical chemistry chemical physics : PCCP, 2023, 25, 22813-22818 |
| 7247121 | CIF | C21 H12 F6 N3 | P -1 | 7.9593; 9.5462; 13.0766 87.499; 78.856; 66.872 | 895.92 | Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical. Physical chemistry chemical physics : PCCP, 2023, 25, 22813-22818 |
| 7247242 | CIF | C10 H7 N3 O3 | P 1 21/c 1 | 10.89048; 9.54267; 10.63046 90; 115.645; 90 | 995.94 | Scheurrell, Kerstin; B Martins, Inês C; Murray, Claire; Emmerling, Franziska Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: <i>in situ</i> investigation and isolation of reaction intermediates. Physical chemistry chemical physics : PCCP, 2023, 25, 23637-23644 |
| 7247252 | CIF | C13 H10 O S | P 21 21 21 | 6.061; 7.6912; 21.2829 90; 90; 90 | 992.13 | Harrington, Kristen; Hogan, David T.; Sutherland, Todd C.; Stamplecoskie, Kevin Photophysical investigation into room-temperature emission from xanthene derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 24829-24837 |
| 7247253 | CIF | C40 H0.5 In N9 O3 | P 1 21/n 1 | 11.7675; 13.1064; 11.8764 90; 99.112; 90 | 1808.58 | Dou, Chang-Xun; Tian, Xu-Ke; Chen, Ying-Jun; Yin, Pei-Pei; Guo, Jia-Hui; Yang, Xiao-Gang; Guo, Yu-Ming; Ma, Lu-Fang Fast photocatalytic degradation of rhodamine B using indium-porphyrin based cationic MOF under visible light irradiation. Physical chemistry chemical physics : PCCP, 2023, 25, 25139-25145 |
| 7247257 | CIF | C46 H50 N4 O8 S4 | P 1 21/c 1 | 9.2402; 10.7034; 22.982 90; 97.437; 90 | 2253.83 | Packman, Lachlan; Mallo, Neil; Raynor, Aaron; Gao, Mile; Babazadeh, Mohammad; Jin, Hui; Huang, David M.; Burn, Paul L.; Gentle, Ian R.; Shaw, Paul E. The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films. Physical chemistry chemical physics : PCCP, 2023, 25, 23867-23878 |
| 7247438 | CIF | C35 H19 N7 | P -1 | 9.8862; 11.8127; 12.3102 93.827; 93.94; 111.868 | 1324.38 | Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP, 2023, 25, 27065-27074 |
| 7247439 | CIF | C27 H15 N5 | P 1 21/c 1 | 6.7312; 36.6599; 9.515 90; 106.283; 90 | 2253.79 | Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP, 2023, 25, 27065-27074 |
| 7247487 | CIF | C12 H18.86 F6 N Na O9 S2 | C 1 2/c 1 | 29.1334; 8.9809; 18.4512 90; 113.468; 90 | 4428.3 | Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 27836-27847 |
| 7247488 | CIF | C12 H20 F6 N Na O9 S2 | C 1 2/c 1 | 29.292; 9.039; 18.545 90; 113.231; 90 | 4512 | Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 27836-27847 |
| 7247489 | CIF | C20 H22 B F24 N O4 | P -1 | 8.6128; 11.9192; 14.6382 93.623; 94.957; 93.773 | 1490.27 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
| 7247490 | CIF | C17 H30 B F12 O4 P | P -1 | 9.0301; 9.92; 14.9196 85.444; 80.521; 77.435 | 1285.34 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
| 7247491 | CIF | C16 H26 B F12 N O4 | P 1 21/c 1 | 17.6281; 18.6841; 28.371 90; 96.401; 90 | 9286.17 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
| 7247496 | CIF | C20 H12 N2 S | P 1 21/c 1 | 11.3392; 5.6836; 24.2274 90; 93.381; 90 | 1558.68 | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 29327-29340 |
| 7247497 | CIF | C18 H16 N2 S | P 1 21/c 1 | 18.867; 10.278; 8.239 90; 92.057; 90 | 1596.6 | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 29327-29340 |
| 7247498 | CIF | C48 H35.787 O2 Si2 | P 1 21 1 | 11.19827; 27.60749; 18.08478 90; 90.5504; 90 | 5590.76 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247499 | CIF | C40 H32 O2 Si2 | P -1 | 10.4534; 12.101; 13.6441 110.811; 104.524; 95.283 | 1530.15 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247500 | CIF | C48 H36 O2 Si2 | P 1 21/n 1 | 11.2799; 17.2391; 18.9684 90; 102.339; 90 | 3603.3 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247501 | CIF | C48 H36 O2 Si2 | P 1 | 11.5209; 11.6461; 28.3488 90.306; 91.906; 101.613 | 3723.5 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247522 | CIF | C144 H96 Ag9 Br24 Cl3 P8 Pt | R -3 :H | 19.102; 19.102; 90.1075 90; 90; 120 | 28474.1 | Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation. Physical chemistry chemical physics : PCCP, 2023, 25, 30373-30380 |
| 7247523 | CIF | C16 H32 F6 Li O8 P S4 | P 1 21/n 1 | 16.7168; 8.3892; 19.5667 90; 100.287; 90 | 2699.94 | Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP, 2023, 25, 29566-29575 |
| 7247524 | CIF | C5 H8 F3 Li O5 S2 | I 1 2/a 1 | 8.5408; 23.905; 10.7593 90; 91.014; 90 | 2196.4 | Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP, 2023, 25, 29566-29575 |
| 7247572 | CIF | C34 H19 F6 I6 N2 P S | P 1 21/m 1 | 7.2546; 28.912; 9.1504 90; 92.873; 90 | 1916.84 | Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies. Physical chemistry chemical physics : PCCP, 2023, 25, 28576-28580 |
| 7247586 | CIF | C24 H64 N16 Sb4 Se10 Zn4 | C 1 2/c 1 | 30.4965; 7.825; 23.6797 90; 94.921; 90 | 5630 | Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP, 2023, 25, 29709-29717 |
| 7247587 | CIF | C16 H48 N10 S6 Sb2 Zn2 | I 41/a :2 | 25.9513; 25.9513; 9.8863 90; 90; 90 | 6658.1 | Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP, 2023, 25, 29709-29717 |
| 7247651 | CIF | As2 Eu In2 | R -3 m :H | 4.2102; 4.2102; 26.3814 90; 90; 120 | 404.98 | Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L. Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>. Physical chemistry chemical physics : PCCP, 2024, 26, 8695-8703 |
| 7247670 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.7416; 9.9967; 7.4017 90; 107.298; 90 | 1465.31 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
| 7247671 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.7153; 9.9754; 7.3562 90; 107.185; 90 | 1452.25 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
| 7247672 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.718; 9.96; 7.3352 90; 107.07; 90 | 1446.9 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
| 7247673 | CIF | C18 H18 N2 O S2 | P -1 | 9.2114; 13.4808; 14.52 76.969; 75.035; 72.648 | 1640.93 | Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP, 2023, 25, 31667-31682 |
| 7247674 | CIF | C44 H44 N4 O2 S2 | P -1 | 10.1465; 12.0918; 16.0775 71.168; 85.399; 83.566 | 1853.15 | Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP, 2023, 25, 31667-31682 |
| 7247675 | CIF | C19 H15 Br N2 O | P 1 21/n 1 | 6.2672; 14.7584; 17.2093 90; 94.681; 90 | 1586.4 | Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water. Physical chemistry chemical physics : PCCP, 2023, 25, 31702-31713 |
| 7247679 | CIF | C6 Cl5 N O2 | R -3 :H | 8.716; 8.716; 10.946 90; 90; 120 | 720.15 | Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP, 2023, 25, 30553-30562 |
| 7247680 | CIF | C6 Cl5 N O2 | R -3 :H | 8.744; 8.744; 11.068 90; 90; 120 | 732.86 | Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP, 2023, 25, 30553-30562 |
| 7247689 | CIF | C18 H6 N30 O36 | P 1 21/c 1 | 14.815; 8.0553; 16.905 90; 92.113; 90 | 2016.1 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247690 | CIF | C6 H2 N10 O12 | P 1 21/c 1 | 15.104; 8.246; 17.1411 90; 92.235; 90 | 2133.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247691 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.6452; 7.9546; 16.7946 90; 92.018; 90 | 1955.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247692 | CIF | C3 N5 O6 | C 1 c 1 | 19.5713; 7.6509; 14.6982 90; 127.661; 90 | 1742.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247693 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.7836; 8.0383; 16.867 90; 92.078; 90 | 2003.1 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247694 | CIF | C3 N5 O6 | C 1 c 1 | 19.3994; 7.5957; 14.5289 90; 127.637; 90 | 1695.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247695 | CIF | C3 N5 O6 | C 1 c 1 | 19.319; 7.5668; 14.458 90; 127.623; 90 | 1674 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247696 | CIF | C6 H2 N10 O12 | P 1 21/c 1 | 14.937; 8.1341; 16.989 90; 92.17; 90 | 2062.7 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247697 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.2569; 7.6573; 16.6118 90; 92.197; 90 | 1812.17 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247743 | CIF | C42 H32 B2 F4 N8 | P 1 21/c 1 | 11.505; 37.012; 9.556 90; 111.92; 90 | 3775 | Behera, Kanhu Charan; Ravikanth, Mangalampalli A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore. Physical chemistry chemical physics : PCCP, 2023, 25, 32584-32593 |
| 7247854 | CIF | C216 H236 Ag55 Cu8 I12 P S24 | C 1 2/m 1 | 37.341; 24.083; 22.341 90; 125.295; 90 | 16398 | Tang, Li; Han, Qikai; Wang, Bin; Yang, Zhonghua; Song, Chunyuan; Feng, Guanyu; Wang, Shuxin Constructing perfect cubic Ag-Cu alloyed nanoclusters through selective elimination of phosphine ligands. Physical chemistry chemical physics : PCCP, 2023, 26, 62-66 |
| 7247861 | CIF | C16 H21 O3 P | P 21 21 21 | 9.9495; 11.559; 26.1562 90; 90; 90 | 3008.13 | Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP, 2024, 26, 2016-2024 |
| 7247862 | CIF | C16 H21 O3 P | P 1 21 1 | 10.2826; 6.9016; 11.6832 90; 114.723; 90 | 753.12 | Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP, 2024, 26, 2016-2024 |
| 7247863 | CIF | C16 H21 O3 P | P 1 21 1 | 10.2898; 6.902; 11.6872 90; 114.772; 90 | 753.65 | Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP, 2024, 26, 2016-2024 |
| 7247864 | CIF | C16 H21 O3 P | P 21 21 21 | 9.9615; 11.5646; 26.2104 90; 90; 90 | 3019.5 | Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP, 2024, 26, 2016-2024 |
| 7247875 | CIF | C36 H22 B N S2 | P 1 21/c 1 | 9.1668; 13.6407; 20.9359 90; 90.621; 90 | 2617.7 | Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning. Physical chemistry chemical physics : PCCP, 2024, 26, 2395-2401 |
| 7247876 | CIF | C36 H24 B N S2 | P -1 | 12.1328; 12.2744; 19.0272 103.921; 97.005; 98.421 | 2684 | Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning. Physical chemistry chemical physics : PCCP, 2024, 26, 2395-2401 |
| 7247880 | CIF | C12 H40 Br8 Cu2 N6 O2 | P 1 21/c 1 | 8.855; 11.8895; 14.0612 90; 97.636; 90 | 1467.26 | Gao, Yingui; Xu, Zhihuang; Ye, Liwang; Wang, Yuanjie; Zhuang, Xinxin A zero-dimensional hybrid copper(I) bromide single crystal with highly efficient green emission. Physical chemistry chemical physics : PCCP, 2024, 26, 2472-2477 |
| 7247881 | CIF | C32 H34 N4 O2 | P 1 21/n 1 | 9.3987; 11.4649; 13.311 90; 103.835; 90 | 1392.7 | Konopkina, Ekaterina A.; Gopin, Alexander V.; Pozdeev, Anton S.; Chernysheva, Maria G.; Kalle, Paulina; Pavlova, Elizaveta A.; Kalmykov, Stepan N.; Petrov, Vladimir G.; Borisova, Nataliya E.; Guda, Alexander A.; Matveev, Petr I. Kinetic features of solvent extraction by N,O-donor ligands of f-elements: a comparative study of diamides based on 1,10-phenanthroline and 2,2'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 2548-2559 |
| 7247882 | CIF | C10 H3.5 Cl0.5 N6.5 O18 | P -4 | 23.43538; 23.43538; 12.3915 90; 90; 90 | 6805.62 | Muromachi, Sanehiro; Takeya, Satoshi Guest size effects on a robust structure of semiclathrate hydrates and their thermophysical properties. Physical chemistry chemical physics : PCCP, 2024, 26, 3315-3321 |
| 7247884 | CIF | C13 H30 Cl3 Cu N O6 | P -1 | 8.6456; 10.4456; 12.352 82.605; 79.325; 82.289 | 1080.1 | Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics. Physical chemistry chemical physics : PCCP, 2024, 26, 7269-7275 |
| 7247885 | CIF | C13 H30 Cl3 Cu N O6 | P -1 | 8.5399; 10.3775; 12.2132 82.772; 80.178; 82.737 | 1051.91 | Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics. Physical chemistry chemical physics : PCCP, 2024, 26, 7269-7275 |
| 7247917 | CIF | C5 H14 Br3 Cd N | P 1 21/n 1 | 7.6486; 16.7161; 9.7365 90; 100.265; 90 | 1224.93 | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 3974-3980 |
| 7247918 | CIF | C5 H14 Br3 Cd N | P 1 21/n 1 | 7.5549; 16.4113; 9.6428 90; 100.365; 90 | 1176.06 | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 3974-3980 |
| 7247919 | CIF | C5 H14 Br3 Cd N | P 1 21/n 1 | 7.6022; 16.4869; 9.6894 90; 100.61; 90 | 1193.67 | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 3974-3980 |
| 7247920 | CIF | C5 H14 Br3 Cd N | P 1 21/n 1 | 7.624; 16.576; 9.7148 90; 100.584; 90 | 1206.82 | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 3974-3980 |
| 7247921 | CIF | C5 H14 Br3 Cd N | P 1 21/n 1 | 7.5782; 16.4426; 9.6674 90; 100.513; 90 | 1184.39 | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 3974-3980 |
| 7247922 | CIF | C5 H14 Br3 Cd N | P 1 21/n 1 | 7.6369; 16.6462; 9.7245 90; 100.518; 90 | 1215.46 | Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 3974-3980 |
| 7247949 | CIF | C6 H8 Ag2 Br2 N2 | P b c a | 14.282; 22.011; 6.624 90; 90; 90 | 2082.3 | Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>. Physical chemistry chemical physics : PCCP, 2024, 26, 5010-5019 |
| 7247950 | CIF | C6 H8 Ag2 Br2 N2 | C 1 2/c 1 | 24.605; 6.2851; 14.305 90; 110.938; 90 | 2066.1 | Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>. Physical chemistry chemical physics : PCCP, 2024, 26, 5010-5019 |
| 7247986 | CIF | C20 H10 O4 | I 1 2/a 1 | 13.7163; 11.38; 18.1174 90; 104.795; 90 | 2734.21 | Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. Physical chemistry chemical physics : PCCP, 2024, 26, 4474-4479 |
| 7247987 | CIF | C20 H12 O8 S | P -1 | 8.175; 8.5487; 13.274 71.637; 81.162; 68.995 | 821.05 | Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. Physical chemistry chemical physics : PCCP, 2024, 26, 4474-4479 |
| 7247988 | CIF | C42 H18 F6 O12 S2 | P -1 | 5.7811; 12.0613; 12.5328 100.454; 90.274; 98.211 | 850.14 | Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. Physical chemistry chemical physics : PCCP, 2024, 26, 4474-4479 |
| 7248018 | CIF | C13 H22 Br2 N2 O4 | P 1 21/c 1 | 15.8307; 7.7891; 26.3237 90; 90.248; 90 | 3245.9 | Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP, 2024, 26, 5195-5206 |
| 7248019 | CIF | C13 H22 Br2 N2 O7 | C 1 2/c 1 | 7.1669; 20.9465; 11.2346 90; 93.934; 90 | 1682.6 | Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP, 2024, 26, 5195-5206 |
| 7248020 | CIF | C13 H22 Cl2 N2 O7 | C 1 2/c 1 | 7.1348; 20.956; 11.0766 90; 94.251; 90 | 1651.58 | Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP, 2024, 26, 5195-5206 |
| 7248021 | CIF | C13 H21 I2 N2 O6 | P 1 21/c 1 | 13.6546; 8.6106; 15.3908 90; 104.962; 90 | 1748.21 | Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP, 2024, 26, 5195-5206 |
| 7248029 | CIF | C41 H39 Cu I P3 | P n a 21 | 20.3125; 10.3043; 17.1562 90; 90; 90 | 3590.9 | Lamahewage, Sujeewa N. S.; Atterberry, Benjamin A.; Dorn, Rick W.; Gi, Eunbyeol; Kimball, Maxwell R.; Blümel, Janet; Vela, Javier; Rossini, Aaron J. Accelerated acquisition of wideline solid-state NMR spectra of spin 3/2 nuclei by frequency-stepped indirect detection experiments. Physical chemistry chemical physics : PCCP, 2024, 26, 5081-5096 |
| 7248039 | CIF | C24 H34 O | P -1 | 7.7886; 10.8558; 11.3845 76.757; 84.981; 78.05 | 915.86 | Alić, Jasna; Lončarić, Ivor; Etter, Martin; Rubčić, Mirta; Štefanić, Zoran; Šekutor, Marina; Užarević, Krunoslav; Stolar, Tomislav Direct <i>in situ</i> measurement of polymorphic transition temperatures under thermo-mechanochemical conditions. Physical chemistry chemical physics : PCCP, 2024, 26, 4840-4844 |
| 7248107 | CIF | C12 H6 Br4 N2 | C 1 2/c 1 | 15.64; 12.14; 8.31 90; 112.61; 90 | 1457 | McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism. Physical chemistry chemical physics : PCCP, 2024, 26, 6834-6843 |
| 7248108 | CIF | C12 H6 Br4 N2 | P 1 21/c 1 | 11.13; 7.52; 16.82 90; 109.223; 90 | 1329 | McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism. Physical chemistry chemical physics : PCCP, 2024, 26, 6834-6843 |
| 7248109 | CIF | C12 H6 Br4 N2 | P 1 21/c 1 | 23.3728; 8.6091; 14.1715 90; 102.079; 90 | 2788.4 | McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism. Physical chemistry chemical physics : PCCP, 2024, 26, 6834-6843 |
| 7248142 | CIF | C85 H8 F24 O3 | P 1 21/c 1 | 11.2201; 22.3582; 21.7383 90; 101.343; 90 | 5346.8 | Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A. Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation. Physical chemistry chemical physics : PCCP, 2024, 26, 8038-8042 |
| 7248143 | CIF | C84 H8 F24 O2.21 | P 1 21/c 1 | 20.2976; 18.2848; 14.2099 90; 99.129; 90 | 5207 | Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A. Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation. Physical chemistry chemical physics : PCCP, 2024, 26, 8038-8042 |
| 7248201 | CIF | C24.5 H67 Si7 Yb | P 3 1 c | 16.18; 16.18; 8.5692 90; 90; 120 | 1942.8 | Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP, 2024, 26, 8734-8747 |
| 7248202 | CIF | C28 H59 O Si4 Yb | P -1 | 12.7256; 13.6737; 20.4896 89.3522; 89.6376; 89.7839 | 3565 | Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP, 2024, 26, 8734-8747 |
| 7248203 | CIF | C35 H61 O2 Si2 Yb | P -1 | 12.6785; 14.3864; 22.0939 106.806; 102.024; 90.3602 | 3763.59 | Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP, 2024, 26, 8734-8747 |
| 7248220 | CIF | C17.5 H38.5 N2 O5.25 | P n a 21 | 15.2287; 23.0298; 5.8087 90; 90; 90 | 2037.2 | Dobre, Ana; Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Kay, Christopher W. M.; Palumbo, Oriele; Roessler, Maxie M.; Welton, Tom Understanding the effects of targeted modifications on the 1 : 2 Choline And GEranate structure. Physical chemistry chemical physics : PCCP, 2024, 26, 8858-8872 |
| 7248271 | CIF | C27 H19 B F2 N4 S | C 1 2/c 1 | 19.5653; 16.6631; 14.1015 90; 107.245; 90 | 4390.68 | Behera, Kanhu Charan; Mohanty, Roshnara; Ravikanth, Mangalampalli An α-benzithiazolyl 3-pyrrolyl BODIPY probe for ratiometric selective sensing of cyanide ions and bioimaging studies. Physical chemistry chemical physics : PCCP, 2024, 26, 5868-5878 |
| 7248306 | CIF | C12 H16 O2 | C 1 2 1 | 19.7972; 5.6454; 19.9238 90; 116.7; 90 | 1989.31 | Dupont, Jennifer; Hartwig, Beppo; Le Barbu-Debus, Katia; Lepere, Valeria; Guillot, Regis; Suhm, Martin A.; Zehnacker, Anne Homochiral <i>vs.</i> heterochiral preference in chiral self-recognition of cyclic diols. Physical chemistry chemical physics : PCCP, 2024, 26, 10610-10621 |
| 7248313 | CIF | C48 H96 O16 S4 | C 1 c 1 | 22.8417; 5.94667; 10.39189 90; 96.6449; 90 | 1402.07 | Soto-Suárez, Fátima M; Rojo-Portillo, Tania; Huerta, Eduardo H.; Aguilera-Cruz, Alejandro; Tapia-Bárcenas, Alberto; Contreras-Cruz, David Atahualpa; Toscano, Rubén A; Quiróz-García, Beatriz; Rojas-Aguilar, Aaron; Cortés-Guzmán, Fernando; Bacsa, John; Ramírez-Gualito, Karla; Barquera-Lozada, José Enrique; Cuevas, Gabriel Stereoelectronic interactions are too weak to explain the molecular conformation in solid state of <i>cis</i>-2-<i>tert</i>-butyl-5-(<i>tert</i>-butylsulfonyl)-1,3-dioxane. Physical chemistry chemical physics : PCCP, 2024, 26, 10021-10028 |
| 7248361 | CIF | C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 | P 21 21 21 | 8.8226; 11.5942; 25.3522 90; 90; 90 | 2593.3 | Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP, 2024, 26, 11611-11617 |
| 7248362 | CIF | C16 H14 B F2 N3 O S | P -1 | 7.9897; 11.3528; 34.408 90; 89.989; 90 | 3121 | Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP, 2024, 26, 11611-11617 |
| 7248363 | CIF | C15 H11 B F2 N2 O2 S | P 1 21/n 1 | 7.157; 15.248; 13.6954 90; 105.109; 90 | 1442.9 | Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP, 2024, 26, 11611-11617 |
| 7248379 | CIF | Br7 Cs Nb3 S | P 1 21/c 1 | 9.8515; 18.7974; 7.0544 90; 98.203; 90 | 1292.99 | Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP, 2024, 26, 11789-11797 |
| 7248380 | CIF | Br7 Nb3 Rb S | P m c 21 | 7.0218; 9.8353; 18.445 90; 90; 90 | 1273.8 | Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP, 2024, 26, 11789-11797 |
| 7248383 | CIF | C33 H15 N9 O3 | R -3 :H | 23.8757; 23.8757; 17.6972 90; 90; 120 | 8736.7 | Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices. Physical chemistry chemical physics : PCCP, 2024, 26, 11922-11932 |
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