Crystallography Open Database

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7235237 CIFC12 H8 B2 D24 Mg O3C 1 2/c 111.9604; 12.4903; 19.9494
90; 144.456; 90
1732.5Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.
Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.
Physical chemistry chemical physics : PCCP, 2019, 22, 368-378
7235238 CIFC12 H8 B2 D24 Mg O3C 1 2/c 112.1152; 12.6233; 20.199
90; 144.992; 90
1772.2Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.
Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.
Physical chemistry chemical physics : PCCP, 2019, 22, 368-378
7239625 CIFC26 H12 F2 N2 O4P 1 21/c 116.538; 8.3933; 7.205
90; 101.82; 90
978.9Komissarova, Ekaterina A.; Dominskiy, Dmitry I.; Zhulanov, Vladimir E.; Abashev, George G.; Siddiqui, Afzal; Singh, Surya P.; Sosorev, Andrey Yu; Paraschuk, Dmitry Yu
Unraveling the unusual effect of fluorination on crystal packing in an organic semiconductor.
Physical chemistry chemical physics : PCCP, 2020, 22, 1665-1673
7239786 CIFC24 H18 N4 PtP 1 21/c 128.1541; 7.891; 17.6912
90; 106.211; 90
3774.1Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.
On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.
Physical chemistry chemical physics : PCCP, 2020, 22, 3217-3233
7239787 CIFC25 H20 Cl2 N4 PdP 1 21/c 112.6868; 18.9392; 9.8058
90; 108.94; 90
2228.55Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.
On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.
Physical chemistry chemical physics : PCCP, 2020, 22, 3217-3233
7239797 CIFC22 H18 N4 Se2P -15.7832; 7.7601; 12.0835
77.499; 78.664; 73.377
502.02Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.
Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.
Physical chemistry chemical physics : PCCP, 2020, 22, 3817-3824
7239798 CIFC22 H18 N4 Se2C 1 2/c 15.7217; 14.197; 25.666
90; 92.162; 90
2083.4Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.
Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.
Physical chemistry chemical physics : PCCP, 2020, 22, 3817-3824
7239799 CIFC8 H7 N TeP 1 21/c 16.031; 16.042; 8.787
90; 95.82; 90
845.8Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.
Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.
Physical chemistry chemical physics : PCCP, 2020, 22, 3817-3824
7239832 CIFC1.87 H1.35 N0.13P -19.7503; 18.6569; 19.6036
65.086; 76.413; 80.311
3134Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang
Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer.
Physical chemistry chemical physics : PCCP, 2020, 22, 3370-3378
7239842 CIFC19 H19 B F2 N2 OP 1 21/n 114.4922; 14.2458; 15.9319
90; 91.96; 90
3287.26Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin
Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.
Physical chemistry chemical physics : PCCP, 2020, 22, 4072-4079
7239843 CIFC19 H17 B F2 I2 N2 OP 1 21/c 121.8579; 10.5698; 18.2672
90; 112.645; 90
3894.98Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin
Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.
Physical chemistry chemical physics : PCCP, 2020, 22, 4072-4079
7239881 CIFC24 H16 B2 F4 N4P 1 21/n 16.0437; 11.6835; 14.5203
90; 96.343; 90
1019.02Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Physical chemistry chemical physics : PCCP, 2020, 22, 4429-4438
7239882 CIFC24 H16 B2 F4 N4C 1 2/c 119.818; 10.284; 12.947
90; 130.539; 90
2005Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Physical chemistry chemical physics : PCCP, 2020, 22, 4429-4438
7239883 CIFC33.5 H22 B3 Cl F6 N6P 1 21/c 120.5; 20.4; 8.11
90; 95.68; 90
3375Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Physical chemistry chemical physics : PCCP, 2020, 22, 4429-4438
7239997 CIFC96 H108 Ni6 S12P 1 21/n 111.244; 12.415; 32.461
90; 92.071; 90
4528Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun
Correction: A hexagonal Ni<sub>6</sub> cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde.
Physical chemistry chemical physics : PCCP, 2020, 22, 6010-6010
7240068 CIFC12 H10 N4 O4 PtI b a m9.7525; 20.6661; 6.358
90; 90; 90
1281.43Benjamin, 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
7240069 CIFC12 H10 N4 O4 PtI b a m9.7361; 20.626; 6.3029
90; 90; 90
1265.7Benjamin, 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
7240070 CIFC12 H10 N4 O4 PtI b a m9.6689; 20.509; 6.1816
90; 90; 90
1225.8Benjamin, 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
7240071 CIFC12 H10 N4 O4 PtI b a m9.7551; 20.661; 6.334
90; 90; 90
1276.6Benjamin, 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 CIFC12 H10 N4 O4 PtI b a m9.7115; 20.57; 6.2627
90; 90; 90
1251.1Benjamin, 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 CIFC12 H10 N4 O4 PtI b a m9.6376; 20.354; 6.0986
90; 90; 90
1196.3Benjamin, 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 CIFC12 H10 N4 O4 PtI b a m9.6249; 20.271; 5.9805
90; 90; 90
1166.8Benjamin, 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 CIFC12 H10 N4 O4 PtI b a m9.5805; 20.129; 5.8077
90; 90; 90
1120Benjamin, 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 CIFC12 H10 N4 O4 PtI b a m9.5883; 20.186; 5.8532
90; 90; 90
1132.9Benjamin, 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 CIFC19 H20 N2 O3C 1 2/c 116; 6.7252; 30.665
90; 98.08; 90
3266.9Barboza, 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 CIFC17 H21 N3 OP 1 21/c 18.949; 21.987; 8.156
90; 103.14; 90
1562.8Barboza, 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 CIFC18 H19 N3 OP 1 21/c 114.488; 6.787; 16.457
90; 98.99; 90
1598.3Barboza, 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 CIFC19 H18 N4 OP -14.875; 13.717; 14.116
112.92; 96.63; 92.67
859.3Barboza, 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 CIFC15 H18 N4 OP 1 21/c 17.175; 14.95; 13.418
90; 95.31; 90
1433.1Barboza, 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 CIFC19 H18 N4 OP 1 21/c 18.499; 8.283; 23.92
90; 94.86; 90
1678Barboza, 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 CIFB2 H11 Mg NP n m a11.29376; 7.62235; 6.81817
90; 90; 90
586.942Yan, 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 CIFC15 H21 O6 VP 1 21/n 17.9785; 12.9974; 15.954
90; 90.022; 90
1654.43Andersen, 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 CIFC31 H28 N2 O2P 1 21/n 17.9995; 14.2069; 21.3942
90; 100.552; 90
2390.29Kulszewicz-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 CIFC31 H28 N2 O2P -19.3283; 10.2674; 13.0289
79.338; 87.728; 73.749
1177.23Kulszewicz-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 CIFC31 H28 N2 O2P 1 21/c 112.0942; 14.502; 28.554
90; 90.589; 90
5007.8Kulszewicz-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 CIFC29 H30 Cu F18 N2 O6P 1 21/c 120.337; 10.3082; 19.214
90; 94.041; 90
4018Zhao, 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 CIFC25 H22 Cu F18 N2 O6P b c a10.0639; 19.418; 34.924
90; 90; 90
6824.9Zhao, 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 CIFC29 H30 F18 N2 Ni O6C 1 2/c 1105.18; 14.433; 20.46
90; 101.531; 90
30433Zhao, 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 CIFC29 H30 Co F18 N2 O6C 1 2/c 1107.271; 14.8819; 20.6549
90; 100.871; 90
32382Zhao, 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 CIFC58 H32 Br2 I4 N4 O4 SnP -18.8174; 10.8226; 15.236
99.763; 100.739; 96.909
1390.35Rani, 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 CIFC58 H32 Cl2 I4 N4 O4 SnP -19.753; 10.7232; 15.0866
99.562; 103.457; 93.415
1505.21Rani, 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 CIFC36 H27 BiP 1 21/n 110.0767; 20.4313; 13.8429
90; 109.817; 90
2681.2Fritzsche, 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 CIFC25 H21 BiP 1 21 115.1772; 6.7889; 19.209
90; 99.773; 90
1950.51Fritzsche, 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 CIFC24 H19 Bi IP -19.3194; 9.6034; 12.8339
108.743; 99.713; 103.712
1018.57Fritzsche, 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 CIFC24 H18 Bi2 I4P -19.4889; 9.9731; 14.6288
102.42; 93.506; 92.701
1346.9Fritzsche, 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 CIFC12 H9 Bi Br2P 1 21/c 17.5467; 9.2977; 18.6372
90; 94.936; 90
1302.87Fritzsche, 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 CIFC36 H27 SbP 1 21/n 110.0086; 20.2781; 13.7772
90; 109.442; 90
2636.7Fritzsche, 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 CIFC24 H18 Bi BrP 1 21/n 19.9115; 15.7922; 13.3369
90; 107.717; 90
1988.5Fritzsche, 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 CIFC12 H9 Bi Cl2P 21 21 217.6237; 9.0462; 17.654
90; 90; 90
1217.52Fritzsche, 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 CIFC24 H18 Bi ClP -19.9371; 11.3295; 17.9137
78.588; 86.69; 78.695
1938.16Fritzsche, 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 CIFC42 H35 Au N P SP -111.8146; 12.7494; 12.7733
74.285; 63.823; 83.926
1661.94Mihaly, 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 CIFC42 H53 Au N P SP -112.571; 12.7256; 13.7715
104.775; 104.891; 111.277
1829.6Mihaly, 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 CIFC59.61 H67.34 Au N3 SP -114.8591; 15.918; 24.8004
91.478; 98.399; 114.388
5261.1Mihaly, 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 CIFC32 H23 F7 N O5 P S2P b c a18.0015; 18.7263; 18.8837
90; 90; 90
6365.7Rabideau, 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 CIFC32 H24 F6 N O5 P S2P c a 2118.1884; 9.1975; 18.6788
90; 90; 90
3124.7Rabideau, 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 CIFC26 H19 F7 N O4 P S2P -19.5981; 13.6324; 22.2398
102.938; 92.159; 109.211
2658.5Rabideau, 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 CIFC32 H23 F7 N O5 P S2P 1 21/n 118.0534; 19.0695; 20.2712
90; 114.239; 90
6363.5Rabideau, 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 CIFC27 H25 N7 O15 ThP 1 21/c 19.8122; 20.4453; 15.9721
90; 104.283; 90
3105.2Autillo, 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 CIFC27 H25 N7 O15 UP 1 21/c 19.8225; 20.3779; 15.9018
90; 104.149; 90
3086.4Autillo, 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 CIFC27 H25 N7 Np O15P 1 21/c 19.8352; 20.3151; 15.8431
90; 103.807; 90
3074Autillo, 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 CIFC27 H25 N7 O15 PuP 1 21/c 19.8486; 20.3166; 15.8306
90; 103.965; 90
3073.9Autillo, 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 CIFC10 H9 N O2 SP 21 21 215.2044; 14.896; 25.4784
90; 90; 90
1975.21Bai, 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 CIFC44 H53 Au N P SP -110.5754; 14.0285; 14.1291
106.091; 98.004; 106.36
1878.03Mihaly, 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 CIFC44 H35 Au N P SP -18.7524; 13.692; 16.4993
114.397; 90.4473; 103.778
1736.22Mihaly, 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 CIFC53.78 H57.57 Au Cl1.57 N3 SP 21 21 2115.0586; 17.686; 19.2675
90; 90; 90
5131.4Mihaly, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.97809; 8.97809; 6.4585
90; 90; 90
520.59Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.7712; 8.7712; 6.2436
90; 90; 90
480.34Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.9435; 8.9435; 6.4253
90; 90; 90
513.94Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.7949; 8.7949; 6.273
90; 90; 90
485.22Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.7425; 8.7425; 6.2161
90; 90; 90
475.1Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.8591; 8.8591; 6.3339
90; 90; 90
497.11Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.8963; 8.8963; 6.3753
90; 90; 90
504.57Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.722; 8.722; 6.1933
90; 90; 90
471.14Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.6076; 8.6076; 6.0602
90; 90; 90
449Richardson, 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 CIFCl4 H12 N4 Pt2P 4/m n c8.6538; 8.6538; 6.122
90; 90; 90
458.47Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.3266; 10.3266; 6.4805
90; 90; 90
691.07Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.3078; 10.3078; 6.4712
90; 90; 90
687.57Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.35151; 10.35151; 6.4977
90; 90; 90
696.25Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.1452; 10.1452; 6.3581
90; 90; 90
654.41Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.0908; 10.0908; 6.3306
90; 90; 90
644.6Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.056; 10.056; 6.32
90; 90; 90
639.1Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.1964; 10.1964; 6.3876
90; 90; 90
664.1Richardson, 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 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.2482; 10.2482; 6.4309
90; 90; 90
675.41Richardson, 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 CIFC23 H15 N3P 1 21/c 18.4001; 27.6987; 7.49
90; 99.621; 90
1718.2Liu, 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 CIFC34 H24 O2P 1 21/n 16.0757; 16.4664; 11.9301
90; 98.44; 90
1180.62Courté, 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 CIFC34 H24 O2P -110.3715; 10.426; 12.2917
92.1911; 108.336; 108.655
1181.03Courté, 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 CIFC41 H32 O2C 1 2/c 131.5547; 6.137; 17.2488
90; 119.126; 90
2917.9Courté, 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 CIFC34 H24 O2P 1 21 16.0678; 16.401; 11.9151
90; 98.556; 90
1172.6Courté, 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 CIFC40 H29 Cl O2C 1 2/c 131.3116; 6.1363; 17.3304
90; 118.835; 90
2917Courté, 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 CIFC24 H28 Cl4 N4 O4P 1 21/c 19.8228; 15.994; 18.5143
90; 104.008; 90
2822.2Barbero, 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 CIFC24 H26 O6P -19.6496; 12.0424; 19.8345
81.278; 82.463; 70.074
2134Barbero, 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 CIFC19 H21 B O3P 1 21/n 16.3536; 11.4414; 23.5584
90; 92.688; 90
1710.67Che, 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 CIFC19 H21 B O3P 1 21/n 16.27903; 10.62604; 25.7596
90; 91.8497; 90
1717.82Che, 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 CIFC19 H21 B O3P 1 21/c 112.4558; 12.11252; 12.7411
90; 113.325; 90
1765.16Che, 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 CIFC19 H21 B O3P 1 21/c 18.73519; 9.35255; 21.1327
90; 101.428; 90
1692.23Che, 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 CIFC11 H13 N5 O5 S2C 1 2/c 128.8618; 7.5904; 14.3121
90; 104.306; 90
3038.2Manin, 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 CIFC20 H11 F3 N3 OP 1 21/n 17.5809; 19.0996; 11.1263
90; 104.022; 90
1563Hande, 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 CIFC42 H20 B F24 S8P 1 21/c 110.1692; 22.6293; 20.9402
90; 91.6312; 90
4816.8Brown, 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 CIFC7 H10 B11 Br6 S4P 1 21/m 18.1423; 13.7726; 10.2776
90; 92.209; 90
1151.68Brown, 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 CIFC85 H50 B2 Cl2 F48 Se8P -113.8745; 14.2009; 26.1484
93.003; 99.251; 106.843
4840.1Brown, 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

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