Crystallography Open Database

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7224089 CIFC8 H14 Co O12P -15.1742; 7.2742; 9.2053
108.809; 105.003; 92.409
313.79Ruggiero, 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 CIFC8 H14 Fe O12P -15.2115; 7.3307; 9.2529
109.019; 105.339; 92.53
318.98Ruggiero, 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 CIFC8 H14 Mn O12P -15.2823; 7.3398; 9.3651
109.765; 105.152; 92.454
326.37Ruggiero, 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 CIFC36 H50 O6 S2P 1 21/a 114.1458; 7.2193; 17.4712
90; 98.5591; 90
1764.34Bowen, 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 CIFAl Li3 O5 SiP n a 215.331; 15.551; 4.782
90; 90; 90
396.4Chen, 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 CIFC8 H14 Fe2 N O12R -3 c :H14.2909; 14.2909; 41.5072
90; 90; 120
7341.3Sieradzki, 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 CIFC8 H14 Fe2 N O12P -3 1 c8.2603; 8.2603; 13.8466
90; 90; 120
818.21Sieradzki, 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 CIFC8 H14 Fe2 N O12R -3 c :H14.2916; 14.2916; 41.4795
90; 90; 120
7337.1Sieradzki, 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 CIFC8 H14 Fe2 N O12R -3 c :H14.2991; 14.2991; 41.5361
90; 90; 120
7354.8Sieradzki, 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 CIFC8 H14 Fe2 N O12R -3 c :H14.2896; 14.2896; 41.483
90; 90; 120
7335.7Sieradzki, 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 CIFC107.5 H109 Cu F12 N8 O10.5 P2P -120.1608; 22.3481; 25.738
71.678; 67.478; 86.691
10142.9Meyer, 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 CIFC12 H20 F3 N5 O4 SP -16.477; 10.584; 12.778
85.883; 86.565; 75.6
845.45Solel, 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 CIFC10 H18 F3 N5 O4 SP 1 21/n 16.563; 14.3405; 15.7391
90; 94.225; 90
1477.29Solel, 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 CIFC20 H29 F6 O P RuP -110.389; 10.393; 11.05
84.703; 67.159; 82.242
1088.4Higashi, 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 CIFC20 H29 F2 N O5 Ru S2P -17.928; 9.542; 16.403
98.073; 101.571; 103.61
1158.3Higashi, 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 CIFC20 H29 F6 O P RuP -17.24; 18.137; 18.786
114.703; 94.018; 97.896
2197.4Higashi, 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 CIFC10 H15 FF m -3 m9.5522; 9.5522; 9.5522
90; 90; 90
871.59Ben 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 CIFC10 H15 FP -4 21 c6.7776; 6.7776; 8.8235
90; 90; 90
405.32Ben 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 CIFC8 H20 N6 S2C 1 2/c 119.106; 15.504; 18.03
90; 95.648; 90
5315Ji, 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 CIFC8 H20 N6 S2C 1 2/c 19.685; 7.867; 18.241
90; 95.266; 90
1384Ji, 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 CIFC9 H9 F9 Li O9 PP -313.0094; 13.0094; 5.5129
90; 90; 120
808.03Malliakas, 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 CIFC6 H12 O6P 21 21 215.577; 7.5481; 18.06
90; 90; 90
760.2Patyk, 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 CIFC6 H12 O6P 21 21 215.3889; 7.4568; 17.8288
90; 90; 90
716.43Patyk, 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 CIFC6 H12 O6P 21 21 215.375; 7.436; 17.849
90; 90; 90
713Patyk, 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 CIFC6 H12 O6P 21 21 214.609; 8.438; 17.4
90; 90; 90
677Patyk, 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 CIFC6 H12 O6P 21 21 214.62; 8.422; 17.29
90; 90; 90
672.7Patyk, 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 CIFC6 H12 O6P 21 21 214.58; 8.401; 17.2
90; 90; 90
662Patyk, 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 CIFC6 H12 O6P 21 21 214.5744; 8.386; 17.212
90; 90; 90
660.3Patyk, 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 CIFC6 H12 O6P 21 21 215.6684; 7.572; 18.1425
90; 90; 90
778.7Patyk, 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 CIFC6 H12 O6P 21 21 215.6537; 7.5619; 18.1266
90; 90; 90
774.96Patyk, 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 CIFC6 H12 O6P 21 21 215.64474; 7.55135; 18.1054
90; 90; 90
771.75Patyk, 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 CIFC6 H12 O6P 21 21 215.62999; 7.5401; 18.0919
90; 90; 90
768.01Patyk, 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 CIFC42 H54 Cl6 N10 PtP 1 21/c 19.3446; 9.4052; 26.2178
90; 92.274; 90
2302.4Serebryanskaya, 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 CIFC40 H50 Cl6 N10 PtP -112.9443; 13.0808; 15.1903
109.653; 113.249; 92.7
2176.92Serebryanskaya, 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 CIFC42 H50 Br12 Cl2 N10 PtP b c a14.2649; 18.1921; 23.1012
90; 90; 90
5995Serebryanskaya, 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 CIFC42 H46 Cl14 D2 N10 PtP b c a13.1946; 17.8886; 23.6588
90; 90; 90
5584.26Serebryanskaya, 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 CIFC48 H65 Co N3 O4P 1 21/c 117.028; 16.746; 17.575
90; 113.781; 90
4586Ghosh, 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 CIFC46 H24 F2 N4 S4P -17.9146; 10.34; 11.03
89.02; 80.45; 82.36
882.2Qin, 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 CIFC46 H24 N6 S5P -17.7712; 11.266; 11.337
74.094; 78.856; 80.05
929Qin, 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 CIFC46 H22 F4 N4 S4P -17.9463; 10.099; 11.251
88.15; 81.09; 82.6
884.5Qin, 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 CIFC6 H8 Mg N2 O6P 1 21/n 112.1246; 12.2087; 12.4991
90; 91.394; 90
1849.64Mączka, 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 CIFC45 H45 OP -19.6555; 10.5975; 18.1996
86.088; 85.13; 68.108
1720.38Sampath, 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 CIFC10 H12 F18 N PP n m a18.972; 11.8654; 7.9166
90; 90; 90
1782.1Han, 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 CIFC22 H36 F18 N PP b c a17.591; 17.971; 18.534
90; 90; 90
5859.1Han, 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 CIFC18 H36 F6 N2 O4 S2P 1 21 113.312; 28.997; 13.523
90; 94.059; 90
5207Han, 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 CIFC4 H8 O2P -15.9523; 6.7864; 12.7209
87.987; 89.585; 84.399
511.08McFarlane, 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 CIFC34 H32 N2 O4 S2C 1 2/c 124.442; 15.052; 8.5086
90; 108.057; 90
2976.1Payne, 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 CIFC34 H32 N2 O4 S2P 1 21/c 15.271; 9.681; 28.26
90; 94.742; 90
1437Payne, 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 CIFC48 H48 N2 O4 S2P -18.87; 9.773; 13.13
94.98; 93.06; 116.609
1008Payne, 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 CIFC34 H32 N2 O4 S2P -17.8929; 13.988; 14.098
100.29; 99.834; 102.275
1460.7Payne, 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
7225336 CIFC86 H82 B10 N2C 1 2/c 120.1102; 26.5248; 21.3634
90; 93.228; 90
11377.6Wang, Zhaojin; Jiang, Peng; Wang, Tianyu; Moxey, Graeme J.; Cifuentes, Marie P.; Zhang, Chi; Humphrey, Mark G.
Blue-shifted emission and enhanced quantum efficiency viaπ-bridge elongation in carbazole-carborane dyads.
Physical chemistry chemical physics : PCCP, 2016, 18, 15719-15726
7225555 CIFC33 H27 B F2 N2P -18.279; 8.3562; 19.2301
100.217; 98.258; 96.502
1282.48Obondi, Christopher O.; Lim, Gary N.; Karr, Paul A.; Nesterov, Vladimir N.; D'Souza, Francis
Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.
Physical chemistry chemical physics : PCCP, 2016, 18, 18187-18200
7225576 CIFLi O4 P PbP n a 218.027; 18.689; 4.965
90; 90; 90
744.8Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie
Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.
Physical chemistry chemical physics : PCCP, 2016, 18, 19123-19129
7225645 CIFC20 H21 Cd N4 O7.5P b c n15.8817; 17.5053; 17.8702
90; 90; 90
4968.2Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin
Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.
Physical chemistry chemical physics : PCCP, 2016, 18, 19001-19010
7225646 CIFC20 H14 Cd N4 O4P n n a13.846; 16.556; 8.239
90; 90; 90
1888.7Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin
Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.
Physical chemistry chemical physics : PCCP, 2016, 18, 19001-19010
7225656 CIFC9 H16 N4 OP 1 21/n 17.3864; 12.0203; 12.5938
90; 103.725; 90
1086.23Zanatta, Marcileia; Girard, Anne-Lise; Marin, Graciane; Ebeling, Gunter; Dos Santos, Francisco P.; Valsecchi, Chiara; Stassen, Hubert; Livotto, Paolo R.; Lewis, William; Dupont, Jairton
Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.
Physical chemistry chemical physics : PCCP, 2016, 18, 18297-18304
7225657 CIFC14 H11 F6 N O2P 1 21/n 18.84; 15.0313; 11.9237
90; 111.183; 90
1477.33Mróz, M M; Benedini, S.; Forni, A.; Botta, C.; Pasini, D.; Cariati, E.; Virgili, T.
Long-living optical gain induced by solvent viscosity in a push-pull molecule.
Physical chemistry chemical physics : PCCP, 2016, 18, 18289-18296
7225758 CIFC120 H120 Au8 N4 O8 P8 S2P 1 21/n 114.4715; 20.1344; 20.747
90; 98.1469; 90
5984.1Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki
Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.
Physical chemistry chemical physics : PCCP, 2016, 18, 19433-19439
7225759 CIFC121 H122 Au8 B2 Cl4 F8 N2 O P8 S2C 1 2/c 133.432; 17.913; 24.121
90; 102.277; 90
14115Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki
Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.
Physical chemistry chemical physics : PCCP, 2016, 18, 19433-19439
7225828 CIFC72 H78 Al2 Dy2 N6 O18C 1 2/c 127.6565; 10.6992; 24.5174
90; 94.143; 90
7235.8Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21469-21480
7225829 CIFC72 H78 Dy2 Fe2 N6 O18C 1 2/c 128.4714; 10.5419; 24.4309
90; 94.949; 90
7305.4Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21469-21480
7225830 CIFC25 H17 N5 Ni O3P 1 21/c 111.5545; 19.8056; 9.1539
90; 94.097; 90
2089.46Majee, Karunamay; Patel, Jully; Rai, Surabhi; Das, Babulal; Panda, Binata; Padhi, Sumanta Kumar
Proton reduction by a nickel complex with an internal quinoline moiety for proton relay.
Physical chemistry chemical physics : PCCP, 2016, 18, 21640-21650
7225851 CIFC12 H19 Cl N2 O2 Sn2P 1 21/m 17.5613; 18.8087; 11.8932
90; 104.691; 90
1636.13Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.
Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.
Physical chemistry chemical physics : PCCP, 2016, 18, 17805-17809
7225869 CIFC8 H19 Mg N O10P n a 2117.8204; 9.9753; 15.6487
90; 90; 90
2781.8Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi
A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.
Physical chemistry chemical physics : PCCP, 2016, 18, 20778-20783
7225870 CIFC6 H12 K Mg N O9P 1 21/n 17.1443; 10.058; 16.3322
90; 90.905; 90
1173.44Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi
A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.
Physical chemistry chemical physics : PCCP, 2016, 18, 20778-20783
7226109 CIFC12 H17 N3 O5P 1 21/c 17.5357; 17.1542; 10.8286
90; 102.802; 90
1365Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21600-21609
7226110 CIFC14 H8 N2P 1 21/n 13.8269; 15.7916; 17.2303
90; 91.29; 90
1041.01Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21600-21609
7226111 CIFC17 H18 N2 O5P 1 21/n 19.271; 8.507; 21.337
90; 93.69; 90
1679.3Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21600-21609
7226174 CIFC13 H14 N2 O3P n a 2113.6811; 11.8839; 7.3549
90; 90; 90
1195.8Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.
Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.
Physical chemistry chemical physics : PCCP, 2016, 18, 24332-24342
7226175 CIFC14 H16 N2 O3P 1 21/n 18.3642; 7.8279; 20.8234
90; 90.819; 90
1363.25Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.
Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.
Physical chemistry chemical physics : PCCP, 2016, 18, 24332-24342
7226363 CIFC36 H50 Cu4 I4 N S3P -112.773; 13.042; 13.81
76.503; 78.2; 83.064
2183.3Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.
The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.
Physical chemistry chemical physics : PCCP, 2016, 18, 24845-24849
7226364 CIFC59 H89 Cu4 I4 N S4P 1 21/n 111.9745; 20.6966; 26.9669
90; 98.373; 90
6612Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.
The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.
Physical chemistry chemical physics : PCCP, 2016, 18, 24845-24849
7226478 CIFC Cl2 N O PP 1 21/c 110.8078; 6.1587; 7.7148
90; 104.196; 90
497.83Li, Dingqing; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Willner, Helge; Zeng, Xiaoqing
Dichlorophosphanyl isocyanate - spectroscopy, conformation and molecular structure in the gas phase and the solid state.
Physical chemistry chemical physics : PCCP, 2016, 18, 26245-26253
7226487 CIFC22 H17 N O4P -17.3977; 11.6656; 20.3981
76.247; 83.564; 88.301
1699.07Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.
Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.
Physical chemistry chemical physics : PCCP, 2016, 18, 27671-27683
7226488 CIFC21 H17 N O2P 1 21/c 120.7631; 3.953; 18.9724
90; 99.996; 90
1533.55Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.
Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.
Physical chemistry chemical physics : PCCP, 2016, 18, 27671-27683
7226542 CIFC34 H24 Eu F12 N O8 S4P -110.0179; 12.2989; 17.6698
100.592; 95.431; 102.457
2069.1Yi, Sijing; Yao, Meihuan; Wang, Jiao; Chen, Xiao
Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cation.
Physical chemistry chemical physics : PCCP, 2016, 18, 27603-27612
7226665 CIFC14 H12 Ag F18 N4 PP b c a17.6078; 15.0214; 18.074
90; 90; 90
4780.5Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter
Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.
Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253
7226666 CIFC10 H6 Ag F18 N2 PP 1 21/n 19.6624; 14.99; 12.85
90; 93.695; 90
1857.3Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter
Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.
Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253
7226667 CIFC16 H10 Ag F18 N2 PP 1 21/c 112.8087; 10.5095; 16.822
90; 100.596; 90
2225.8Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter
Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.
Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253
7226671 CIFC17 H79 Eu N19 O24.5 P4P 1 2/n 126.576; 14.451; 27.285
90; 111.21; 90
9769Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna
The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 27808-27817
7226672 CIFC12 H46 Eu K5 N4 O23 P4P 4 c c12.5231; 12.5231; 24.8781
90; 90; 90
3901.6Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna
The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 27808-27817
7226699 CIFC32 H24 N5 OP -110.1252; 10.2626; 13.4382
97.847; 97.577; 113.879
1237.61Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273
7226700 CIFC25 H23 N4 O SiC 1 2/c 119.1687; 16.52; 17.427
90; 123.08; 90
4624.05Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273
7226701 CIFC22 H15 N4 OP 1 21/c 110.513; 18.2406; 10.6648
90; 119.261; 90
1784.2Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273
7226709 CIFC10 H22 Al N2 Na O12P 1 21/n 18.0388; 9.3156; 12.0288
90; 90.792; 90
900.71Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226710 CIFC10 H22 Al N2 Na O12P 1 n 18.0343; 9.231; 11.9465
90; 90.966; 90
885.88Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226711 CIFC10 H22 Cr N2 Na O12P 1 n 18.10474; 9.26392; 12.04593
90; 91.1766; 90
904.238Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226712 CIFC10 H22 Cr N2 Na O12P 1 21/n 18.1066; 9.3455; 12.1283
90; 91.062; 90
918.68Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226772 CIFC15 H13 N3 O4 SP 1 21/c 17.034; 14.9894; 13.8939
90; 96.387; 90
1455.82Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.
A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.
Physical chemistry chemical physics : PCCP, 2016, 18, 28802-28818
7226773 CIFC15 H15 N3 O5 SP -110.3465; 12.7126; 12.8098
102.78; 99.985; 108.728
1500.67Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.
A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.
Physical chemistry chemical physics : PCCP, 2016, 18, 28802-28818
7226779 CIFC54 H47 F6 N2 O Os P6P -114.649; 14.7296; 23.2685
103.447; 96.362; 91.092
4847.8Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej
Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 28982-28996
7226780 CIFC50.5 H42 Cl F6 N2 O Os P3P 42/n28.557; 28.557; 11.9682
90; 90; 90
9760.1Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej
Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 28982-28996
7226781 CIFC26 H34 Co N4 O4P 1 21/n 116.1119; 7.0151; 21.1805
90; 96.396; 90
2379.1Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment.
Physical chemistry chemical physics : PCCP, 2016, 18, 30135-30143
7226872 CIFC25 H19 F3 N2 O5 SP n a 2127.601; 10.773; 7.699
90; 90; 90
2289.3Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias
Cationic CHπ interactions as a function of solvation.
Physical chemistry chemical physics : PCCP, 2016, 18, 30940-30945
7226893 CIFC40 H55 N O11 SP -18.296; 10.559; 22.575
87.07; 89.387; 82.151
1956.4Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226894 CIFC28 H29 N O8 SP -17.1974; 12.5766; 14.1544
78.981; 87.111; 83.558
1249.13Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226895 CIFC44 H38 B N O4P 1 21/c 113.2946; 11.5487; 22.664
90; 101.108; 90
3414.5Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226896 CIFC32 H49 N O10P 1 21/n 111.301; 6.6661; 43.6661
90; 96.49; 90
3268.4Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226897 CIFC32 H44 N O8.5 SC 1 2/c 143.206; 7.075; 22.126
90; 111.687; 90
6285Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226898 CIFC22 H18 F6 N2 O8 S2P -17.9779; 14.2778; 21.8106
86.203; 80.015; 89.901
2441.3Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008

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