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 |
|---|---|---|---|---|---|---|
| 7224089 | CIF | C8 H14 Co O12 | P -1 | 5.1742; 7.2742; 9.2053 108.809; 105.003; 92.409 | 313.79 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224090 | CIF | C8 H14 Fe O12 | P -1 | 5.2115; 7.3307; 9.2529 109.019; 105.339; 92.53 | 318.98 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224091 | CIF | C8 H14 Mn O12 | P -1 | 5.2823; 7.3398; 9.3651 109.765; 105.152; 92.454 | 326.37 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224132 | CIF | C36 H50 O6 S2 | P 1 21/a 1 | 14.1458; 7.2193; 17.4712 90; 98.5591; 90 | 1764.34 | Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R. Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres. Physical chemistry chemical physics : PCCP, 2016, 18, 5981-5994 |
| 7224138 | CIF | Al Li3 O5 Si | P n a 21 | 5.331; 15.551; 4.782 90; 90; 90 | 396.4 | Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure. Physical chemistry chemical physics : PCCP, 2016, 18, 4362-4369 |
| 7224310 | CIF | C8 H14 Fe2 N O12 | R -3 c :H | 14.2909; 14.2909; 41.5072 90; 90; 120 | 7341.3 | Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M. Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals. Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467 |
| 7224311 | CIF | C8 H14 Fe2 N O12 | P -3 1 c | 8.2603; 8.2603; 13.8466 90; 90; 120 | 818.21 | Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M. Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals. Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467 |
| 7224312 | CIF | C8 H14 Fe2 N O12 | R -3 c :H | 14.2916; 14.2916; 41.4795 90; 90; 120 | 7337.1 | Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M. Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals. Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467 |
| 7224313 | CIF | C8 H14 Fe2 N O12 | R -3 c :H | 14.2991; 14.2991; 41.5361 90; 90; 120 | 7354.8 | Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M. Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals. Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467 |
| 7224314 | CIF | C8 H14 Fe2 N O12 | R -3 c :H | 14.2896; 14.2896; 41.483 90; 90; 120 | 7335.7 | Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M. Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals. Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467 |
| 7224460 | CIF | C107.5 H109 Cu F12 N8 O10.5 P2 | P -1 | 20.1608; 22.3481; 25.738 71.678; 67.478; 86.691 | 10142.9 | Meyer, Andreas; Abdullin, Dinar; Schnakenburg, Gregor; Schiemann, Olav Single and double nitroxide labeled bis(terpyridine)-copper(ii): influence of orientation selectivity and multispin effects on PELDOR and RIDME. Physical chemistry chemical physics : PCCP, 2016, 18, 9262-9271 |
| 7224567 | CIF | C12 H20 F3 N5 O4 S | P -1 | 6.477; 10.584; 12.778 85.883; 86.565; 75.6 | 845.45 | Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud Enhanced anion binding by heteroatom replacement in bambusurils. Physical chemistry chemical physics : PCCP, 2016, 18, 13180-13185 |
| 7224568 | CIF | C10 H18 F3 N5 O4 S | P 1 21/n 1 | 6.563; 14.3405; 15.7391 90; 94.225; 90 | 1477.29 | Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud Enhanced anion binding by heteroatom replacement in bambusurils. Physical chemistry chemical physics : PCCP, 2016, 18, 13180-13185 |
| 7224569 | CIF | C20 H29 F6 O P Ru | P -1 | 10.389; 10.393; 11.05 84.703; 67.159; 82.242 | 1088.4 | Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes. Physical chemistry chemical physics : PCCP, 2016, 18, 10041-10048 |
| 7224570 | CIF | C20 H29 F2 N O5 Ru S2 | P -1 | 7.928; 9.542; 16.403 98.073; 101.571; 103.61 | 1158.3 | Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes. Physical chemistry chemical physics : PCCP, 2016, 18, 10041-10048 |
| 7224571 | CIF | C20 H29 F6 O P Ru | P -1 | 7.24; 18.137; 18.786 114.703; 94.018; 97.896 | 2197.4 | Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes. Physical chemistry chemical physics : PCCP, 2016, 18, 10041-10048 |
| 7224637 | CIF | C10 H15 F | F m -3 m | 9.5522; 9.5522; 9.5522 90; 90; 90 | 871.59 | Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll Structure and reorientational dynamics of 1-F-adamantane. Physical chemistry chemical physics : PCCP, 2016, 18, 10924-10930 |
| 7224638 | CIF | C10 H15 F | P -4 21 c | 6.7776; 6.7776; 8.8235 90; 90; 90 | 405.32 | Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll Structure and reorientational dynamics of 1-F-adamantane. Physical chemistry chemical physics : PCCP, 2016, 18, 10924-10930 |
| 7224706 | CIF | C8 H20 N6 S2 | C 1 2/c 1 | 19.106; 15.504; 18.03 90; 95.648; 90 | 5315 | Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal. Physical chemistry chemical physics : PCCP, 2016, 18, 10868-10872 |
| 7224707 | CIF | C8 H20 N6 S2 | C 1 2/c 1 | 9.685; 7.867; 18.241 90; 95.266; 90 | 1384 | Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal. Physical chemistry chemical physics : PCCP, 2016, 18, 10868-10872 |
| 7224778 | CIF | C9 H9 F9 Li O9 P | P -3 | 13.0094; 13.0094; 5.5129 90; 90; 120 | 808.03 | Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P. Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries. Physical chemistry chemical physics : PCCP, 2016, 18, 10846-10849 |
| 7224879 | CIF | C6 H12 O6 | P 21 21 21 | 5.577; 7.5481; 18.06 90; 90; 90 | 760.2 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224880 | CIF | C6 H12 O6 | P 21 21 21 | 5.3889; 7.4568; 17.8288 90; 90; 90 | 716.43 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224881 | CIF | C6 H12 O6 | P 21 21 21 | 5.375; 7.436; 17.849 90; 90; 90 | 713 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224882 | CIF | C6 H12 O6 | P 21 21 21 | 4.609; 8.438; 17.4 90; 90; 90 | 677 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224883 | CIF | C6 H12 O6 | P 21 21 21 | 4.62; 8.422; 17.29 90; 90; 90 | 672.7 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224884 | CIF | C6 H12 O6 | P 21 21 21 | 4.58; 8.401; 17.2 90; 90; 90 | 662 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224885 | CIF | C6 H12 O6 | P 21 21 21 | 4.5744; 8.386; 17.212 90; 90; 90 | 660.3 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224886 | CIF | C6 H12 O6 | P 21 21 21 | 5.6684; 7.572; 18.1425 90; 90; 90 | 778.7 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224887 | CIF | C6 H12 O6 | P 21 21 21 | 5.6537; 7.5619; 18.1266 90; 90; 90 | 774.96 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224888 | CIF | C6 H12 O6 | P 21 21 21 | 5.64474; 7.55135; 18.1054 90; 90; 90 | 771.75 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7224889 | CIF | C6 H12 O6 | P 21 21 21 | 5.62999; 7.5401; 18.0919 90; 90; 90 | 768.01 | Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej Giant strain geared to transformable H-bonded network in compressed β-d-mannose. Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479 |
| 7225011 | CIF | C42 H54 Cl6 N10 Pt | P 1 21/c 1 | 9.3446; 9.4052; 26.2178 90; 92.274; 90 | 2302.4 | Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study. Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112 |
| 7225012 | CIF | C40 H50 Cl6 N10 Pt | P -1 | 12.9443; 13.0808; 15.1903 109.653; 113.249; 92.7 | 2176.92 | Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study. Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112 |
| 7225013 | CIF | C42 H50 Br12 Cl2 N10 Pt | P b c a | 14.2649; 18.1921; 23.1012 90; 90; 90 | 5995 | Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study. Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112 |
| 7225014 | CIF | C42 H46 Cl14 D2 N10 Pt | P b c a | 13.1946; 17.8886; 23.6588 90; 90; 90 | 5584.26 | Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study. Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112 |
| 7225015 | CIF | C48 H65 Co N3 O4 | P 1 21/c 1 | 17.028; 16.746; 17.575 90; 113.781; 90 | 4586 | Ghosh, Pritam; Banerjee, Priyabrata How paramagnetic and diamagnetic LMOCs detect picric acid from surface water and the intracellular environment: a combined experimental and DFT-D3 study. Physical chemistry chemical physics : PCCP, 2016, 18, 22805-22815 |
| 7225016 | CIF | C46 H24 F2 N4 S4 | P -1 | 7.9146; 10.34; 11.03 89.02; 80.45; 82.36 | 882.2 | Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory. Physical chemistry chemical physics : PCCP, 2016, 18, 14094-14103 |
| 7225017 | CIF | C46 H24 N6 S5 | P -1 | 7.7712; 11.266; 11.337 74.094; 78.856; 80.05 | 929 | Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory. Physical chemistry chemical physics : PCCP, 2016, 18, 14094-14103 |
| 7225018 | CIF | C46 H22 F4 N4 S4 | P -1 | 7.9463; 10.099; 11.251 88.15; 81.09; 82.6 | 884.5 | Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory. Physical chemistry chemical physics : PCCP, 2016, 18, 14094-14103 |
| 7225019 | CIF | C6 H8 Mg N2 O6 | P 1 21/n 1 | 12.1246; 12.2087; 12.4991 90; 91.394; 90 | 1849.64 | Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate. Physical chemistry chemical physics : PCCP, 2016, 18, 13993-14000 |
| 7225169 | CIF | C45 H45 O | P -1 | 9.6555; 10.5975; 18.1996 86.088; 85.13; 68.108 | 1720.38 | Sampath, Srinivasan; Boopathi, A. A.; Mandal, A. B. "Bottom-up" self-assembly and "cold crystallization" of butterfly shaped tetrabenzofluorene molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 21251-21258 |
| 7225209 | CIF | C10 H12 F18 N P | P n m a | 18.972; 11.8654; 7.9166 90; 90; 90 | 1782.1 | Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W. Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane. Physical chemistry chemical physics : PCCP, 2016, 18, 14359-14369 |
| 7225210 | CIF | C22 H36 F18 N P | P b c a | 17.591; 17.971; 18.534 90; 90; 90 | 5859.1 | Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W. Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane. Physical chemistry chemical physics : PCCP, 2016, 18, 14359-14369 |
| 7225211 | CIF | C18 H36 F6 N2 O4 S2 | P 1 21 1 | 13.312; 28.997; 13.523 90; 94.059; 90 | 5207 | Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W. Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane. Physical chemistry chemical physics : PCCP, 2016, 18, 14359-14369 |
| 7225252 | CIF | C4 H8 O2 | P -1 | 5.9523; 6.7864; 12.7209 87.987; 89.585; 84.399 | 511.08 | McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.; Cooper, Richard I.; Watkin, David J.; Parker, Stewart F.; Winfield, John M.; Lennon, David The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica. Physical chemistry chemical physics : PCCP, 2016, 18, 17210-17216 |
| 7225267 | CIF | C34 H32 N2 O4 S2 | C 1 2/c 1 | 24.442; 15.052; 8.5086 90; 108.057; 90 | 2976.1 | Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C. Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719 |
| 7225268 | CIF | C34 H32 N2 O4 S2 | P 1 21/c 1 | 5.271; 9.681; 28.26 90; 94.742; 90 | 1437 | Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C. Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719 |
| 7225269 | CIF | C48 H48 N2 O4 S2 | P -1 | 8.87; 9.773; 13.13 94.98; 93.06; 116.609 | 1008 | Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C. Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719 |
| 7225270 | CIF | C34 H32 N2 O4 S2 | P -1 | 7.8929; 13.988; 14.098 100.29; 99.834; 102.275 | 1460.7 | Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C. Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719 |
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