Crystallography Open Database
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Searching journal of publication like 'The Journal of Physical Chemistry C'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1511805 | CIF | C3 H8 | P 1 21/n 1 | 3.762; 11.781; 6.281 90; 90.84; 90 | 278.3 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511806 | CIF | C3 H8 | P 1 21/n 1 | 3.722; 11.676; 6.212 90; 90.86; 90 | 269.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511807 | CIF | C3 H8 | P 1 21/n 1 | 3.689; 11.651; 6.151 90; 90.48; 90 | 264.4 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511808 | CIF | C4 H10 | P 1 21/c 1 | 5.416; 4.893; 7.294 90; 104.78; 90 | 186.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511809 | CIF | C4 H10 | P 1 21/c 1 | 5.408; 4.887; 7.275 90; 104.65; 90 | 186 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511810 | CIF | C4 H10 | P 1 21/c 1 | 5.344; 4.833; 7.15 90; 104.63; 90 | 178.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511811 | CIF | C4 H10 | P 1 21/c 1 | 5.267; 4.759; 7.05 90; 103.85; 90 | 171.6 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511812 | CIF | C4 H10 | P 1 21/c 1 | 5.236; 4.735; 6.912 90; 104.11; 90 | 166.2 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
| 1511813 | CIF | C52 H50 O2 | P -1 | 12.28; 15.6586; 23.5675 76.397; 78.217; 74.138 | 4189.2 | Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C, 2013, 117, 7236 |
| 1511814 | CIF | C60 H64 O2 | P 1 21/c 1 | 12.4695; 25.1015; 16.1011 90; 107.8; 90 | 4798.4 | Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C, 2013, 117, 7236 |
| 1511815 | CIF | C5 H6 N2 O S | P 1 21/c 1 | 4.3315; 14.4396; 9.5617 90; 90.8638; 90 | 597.97 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C, 2013, 117, 7764 |
| 1511816 | CIF | C5 H6 N2 O S | P 1 21/c 1 | 4.3135; 14.432; 9.5548 90; 91.17; 90 | 594.69 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C, 2013, 117, 7764 |
| 1511817 | CIF | C28 H34 | P -1 | 6.663; 6.883; 12.477 94.702; 94.348; 103.397 | 552.1 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511818 | CIF | C38 H42 | P 1 21/c 1 | 8.7787; 15.673; 10.689 90; 102.668; 90 | 1434.9 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511819 | CIF | C33 H34 O2 | P 1 21/n 1 | 9.862; 49.707; 10.319 90; 93.959; 90 | 5046 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511820 | CIF | C50 H70 Na2 O14 S2 | P -1 | 12.824; 16.877; 25.494 103.863; 91.782; 108.619 | 5042 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511821 | CIF | C50 H58 | P -1 | 7.617; 10.296; 13.249 72.923; 75.218; 76.43 | 945.9 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511822 | CIF | C52 H54 O2 | P 1 21/c 1 | 15.938; 11.092; 23.495 90; 104.583; 90 | 4019.7 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
| 1511830 | CIF | C8 H8 O3 | P b c a | 9.676; 16.2; 9.8866 90; 90; 90 | 1549.7 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511831 | CIF | C8 H8 O3 | P b c a | 9.66; 16.126; 9.753 90; 90; 90 | 1519.3 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511832 | CIF | C8 H8 O3 | P b c a | 9.676; 16.179; 9.627 90; 90; 90 | 1507.1 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511833 | CIF | C8 H8 O3 | P b c a | 9.634; 16.132; 9.466 90; 90; 90 | 1471.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511834 | CIF | C8 H8 O3 | P b c a | 9.637; 16.135; 9.365 90; 90; 90 | 1456.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511835 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.825; 28.908; 8.224 90; 93.03; 90 | 1382.9 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511836 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.8185; 28.941; 8.173 90; 93.01; 90 | 1374.4 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511837 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.806; 28.807; 8.05 90; 93.12; 90 | 1344.4 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511838 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.786; 28.65; 7.924 90; 93.44; 90 | 1311.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
| 1511979 | CIF | C19 H18 N2 O | P n a 21 | 15.399; 10.82; 9.613 90; 90; 90 | 1601.7 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511980 | CIF | C19 H18 N2 O | P n a 21 | 15.393; 10.798; 9.5855 90; 90; 90 | 1593.2 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511981 | CIF | C19 H18 N2 O | P n a 21 | 15.3711; 10.7478; 9.5826 90; 90; 90 | 1583.1 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511983 | CIF | C3 H4 N2 | P n a 21 | 7.054; 12.84; 8.232 90; 90; 90 | 745.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511984 | CIF | C3 H4 N2 | P n a 21 | 6.971; 12.783; 8.247 90; 90; 90 | 734.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral–Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511985 | CIF | C3 H4 N2 | P n a 21 | 6.8805; 12.6682; 8.209 90; 90; 90 | 715.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral–Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511986 | CIF | C3 H4 N2 | P n a b | 6.749; 12.599; 8.191 90; 90; 90 | 696.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511987 | CIF | C3 H4 N2 | P n a b | 6.6851; 12.492; 8.146 90; 90; 90 | 680.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511988 | CIF | C3 H4 N2 | P n a b | 6.612; 12.385; 8.099 90; 90; 90 | 663.2 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511989 | CIF | C3 H4 N2 | P n a b | 6.45; 12.224; 8.0651 90; 90; 90 | 635.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511990 | CIF | C3 H4 N2 | P n a b | 6.392; 12.04; 8.052 90; 90; 90 | 619.7 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511991 | CIF | C3 H4 N2 | P n a b | 6.3573; 12.03; 7.984 90; 90; 90 | 610.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511992 | CIF | C3 H4 N2 | P n a b | 6.147; 11.648; 7.876 90; 90; 90 | 563.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511993 | CIF | C3 H4 N2 | P n a b | 6.0669; 11.554; 7.814 90; 90; 90 | 547.7 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511994 | CIF | C3 H4 N2 | P n a 21 | 6.8012; 12.5689; 8.2278 90; 90; 90 | 703.34 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511995 | CIF | C3 H4 N2 | P n a 21 | 6.8045; 12.5768; 8.2278 90; 90; 90 | 704.13 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511996 | CIF | C3 H4 N2 | P n a 21 | 6.8163; 12.5868; 8.2275 90; 90; 90 | 705.88 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511997 | CIF | C3 H4 N2 | P n a 21 | 6.8245; 12.5972; 8.2273 90; 90; 90 | 707.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511998 | CIF | C3 H4 N2 | P n a 21 | 6.8306; 12.6103; 8.2284 90; 90; 90 | 708.76 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511999 | CIF | C3 H4 N2 | P n a 21 | 6.8442; 12.6228; 8.2283 90; 90; 90 | 710.87 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512000 | CIF | C3 H4 N2 | P n a 21 | 6.8508; 12.6373; 8.2299 90; 90; 90 | 712.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512001 | CIF | C3 H4 N2 | P n a 21 | 6.8614; 12.65; 8.2274 90; 90; 90 | 714.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512002 | CIF | C3 H4 N2 | P n a 21 | 6.8794; 12.6652; 8.2302 90; 90; 90 | 717.09 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512003 | CIF | C3 H4 N2 | P n a 21 | 6.8902; 12.6822; 8.2327 90; 90; 90 | 719.4 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512004 | CIF | C3 H4 N2 | P n a 21 | 6.903; 12.6968; 8.2321 90; 90; 90 | 721.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512005 | CIF | C3 H4 N2 | P n a 21 | 6.9155; 12.7076; 8.2322 90; 90; 90 | 723.44 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512006 | CIF | C3 H4 N2 | P n a 21 | 6.9234; 12.7234; 8.2337 90; 90; 90 | 725.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512007 | CIF | C3 H4 N2 | P n a 21 | 6.9397; 12.7371; 8.2303 90; 90; 90 | 727.49 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512008 | CIF | C3 H4 N2 | P n a 21 | 6.9533; 12.7634; 8.2281 90; 90; 90 | 730.23 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512009 | CIF | C3 H4 N2 | P n a 21 | 6.9692; 12.7818; 8.2245 90; 90; 90 | 732.63 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512010 | CIF | C3 H4 N2 | P n a 21 | 6.9782; 12.798; 8.2237 90; 90; 90 | 734.43 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512011 | CIF | C3 H4 N2 | P n a 21 | 6.9934; 12.8124; 8.2255 90; 90; 90 | 737.02 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512012 | CIF | C3 H4 N2 | P n a 21 | 7.01; 12.831; 8.2285 90; 90; 90 | 740.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512013 | CIF | C3 H4 N2 | P n a 21 | 7.0252; 12.8396; 8.2185 90; 90; 90 | 741.31 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512014 | CIF | C3 H4 N2 | P n a 21 | 7.0396; 12.8637; 8.22 90; 90; 90 | 744.36 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512015 | CIF | C3 H4 N2 | P n a 21 | 7.0814; 12.8818; 8.2503 90; 90; 90 | 752.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512130 | CIF | C16 H15 N O4 | P b c a | 7.707; 13.875; 23.418 90; 90; 90 | 2504.2 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1512131 | CIF | C22 H27 N O4 | C 1 2/c 1 | 25.115; 11.99; 15.721 90; 126.342; 90 | 3813 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1512132 | CIF | C12 H13 N O2 | P 1 21/c 1 | 13.786; 5.596; 15.675 90; 122.93; 90 | 1015 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1512133 | CIF | C17 H18 F3 N O2 | P 1 21/m 1 | 12.365; 7.358; 16.939 90; 95.378; 90 | 1534.4 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1512134 | CIF | Br6.06 Cl8.31 H92 O46 | P m -3 n | 11.9619; 11.9619; 11.9619 90; 90; 90 | 1711.59 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
| 1512135 | CIF | C12 H4 N2 S2 | P 21 21 21 | 3.8226; 8.471; 31.554 90; 90; 90 | 1021.8 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1512136 | CIF | C12 H4 N2 S2 | P 21 21 21 | 3.8268; 14.7465; 17.3489 90; 90; 90 | 979.03 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1512137 | CIF | C15 H20 O S2 Si2 | P b c a | 6.9752; 21.458; 24.8 90; 90; 90 | 3711.9 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1512140 | CIF | C40 H34 Cl4 N8 O10 | P -1 | 5.6982; 13.6181; 14.318 79.003; 88.852; 84.498 | 1085.63 | Wang, Liang; Chen, Yanli; Bian, Yongzhong; Jiang, Jianzhuang Porphyrin Nanocrystal Synthesized via Chemical Reaction Route: pH-Sensitive Reversible Transformation between Nanocrystals and Bulk Single Crystal The Journal of Physical Chemistry C, 2013, 117, 17352 |
| 1512147 | CIF | Br38.27 H344 O172 | P 42/m n m | 23.0436; 23.0436; 12.0745 90; 90; 90 | 6411.7 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
| 1512149 | CIF | Cl13.3 H92 O46 | P m -3 n | 11.971; 11.971; 11.971 90; 90; 90 | 1715.5 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
| 1512251 | CIF | C18 H10 N2 O4 | C 1 2/c 1 | 29.36; 3.8228; 24.968 90; 93.109; 90 | 2798.2 | Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S. Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State The Journal of Physical Chemistry C, 2013, 117, 18154 |
| 1512252 | CIF | C4 H12 Al Li | P 1 21/n 1 | 6.2978; 11.6066; 9.6537 90; 95.748; 90 | 702.1 | Pourpoint, Frédérique; Morin, Yohann; Gauvin, Régis M.; Trébosc, Julien; Capet, Frédéric; Lafon, Olivier; Amoureux, Jean-Paul Advances in Structural Studies on Alkylaluminum Species in the Solid State via Challenging27Al‒13C NMR Spectroscopy and X-ray Diffraction The Journal of Physical Chemistry C, 2013, 117, 18091 |
| 1512558 | CIF | Eu0.08 Na3.92 O24 Sc4 Si8 | C 1 2/c 1 | 9.83355; 9.07414; 5.34456 90; 107.021; 90 | 456.01 | Xia, Zhiguo; Zhang, Yuanyuan; Molokeev, Maxim S.; Atuchin, Victor V. Structural and Luminescence Properties of Yellow-Emitting NaScSi2O6:Eu2+Phosphors: Eu2+Site Preference Analysis and Generation of Red Emission by Codoping Mn2+for White-Light-Emitting Diode Applications The Journal of Physical Chemistry C, 2013, 117, 20847 |
| 1513083 | CIF | C23 H18 F6 S8 | P -1 | 8.7188; 11.3511; 14.6792 78.45; 74.701; 89.477 | 1371.4 | Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C, 2013, 117, 23529 |
| 1513084 | CIF | C24 H17 F6 N S5 | P 1 21/c 1 | 12.4181; 10.4442; 19.0213 90; 90.457; 90 | 2466.93 | Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C, 2013, 117, 23529 |
| 1513085 | CIF | C34 H40 N4 | C 1 2/c 1 | 21.767; 5.973; 23.372 90; 96.26; 90 | 3021 | Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene The Journal of Physical Chemistry C, 2013, 117, 24997 |
| 1513086 | CIF | C34 H40 N4 | P 1 21/c 1 | 11.81; 11.257; 23.291 90; 108.84; 90 | 2930.5 | Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene The Journal of Physical Chemistry C, 2013, 117, 24997 |
| 1513087 | CIF | Fe2 O4 Zn | F d -3 m :1 | 8.4313; 8.4313; 8.4313 90; 90; 90 | 599.35 | Teh, Pei Fen; Pramana, Stevin S.; Kim, Chunjoong; Chen, Chieh-Ming; Chuang, Cheng-Hao; Sharma, Yogesh; Cabana, Jordi; Madhavi, Srinivasan Electrochemical Reactivity with Lithium of Spinel-type ZnFe2‒yCryO4(0 ≤y≤ 2) The Journal of Physical Chemistry C, 2013, 117, 24213 |
| 1513088 | CIF | C10 H4 N4 S4 | P 1 21/c 1 | 5.8139; 5.8101; 17.366 90; 101.604; 90 | 574.6 | Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji Temperature-Dependent Current–Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles The Journal of Physical Chemistry C, 2013, 117, 25325 |
| 1513089 | CIF | C17 H33 Er O10 | P 1 21/n 1 | 10.4187; 19.6076; 10.9402 90; 91.235; 90 | 2234.4 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
| 1513090 | CIF | C72 Er F60 N3 O6 P6 | P 1 2/n 1 | 12.3554; 13.8738; 23.392 90; 90.974; 90 | 4009.2 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
| 1513091 | CIF | C72 H60 Er N3 O6 P6 | P -1 | 14.329; 14.8267; 17.7919 89.86; 76.118; 62.792 | 3238.21 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
| 1513377 | CIF | C28 H20 O4 | P 63/m | 14.766; 14.766; 17.858 90; 90; 120 | 3372 | Surov, Oleg V.; Voronova, Marina I.; Barannikov, Vladimir P.; Shaposhnikov, Gennady P. Structural Features and Thermal Stability of 25,26,27,28-Tetrahydroxycalix[4]arene Molecular Complexes with Solvents The Journal of Physical Chemistry C, 2014, 118, 338 |
| 1513378 | CIF | C32 H28 N2 O6 S4 | P 1 21/c 1 | 11.1947; 5.6858; 23.9486 90; 101.642; 90 | 1492.99 | Salammal, Shabi Thankaraj; Balandier, Jean-Yves; Arlin, Jean-Baptiste; Olivier, Yoann; Lemaur, Vincent; Wang, Linjun; Beljonne, David; Cornil, Jérôme; Kennedy, Alan Robert; Geerts, Yves Henri; Chattopadhyay, Basab Polymorphism in Bulk and Thin Films: The Curious Case of Dithiophene-DPP(Boc)-Dithiophene The Journal of Physical Chemistry C, 2014, 118, 657 |
| 1513379 | CIF | C43 H34 Cl N6 O29 Tb4 | C 1 2/c 1 | 34.5079; 19.159; 23.9838 90; 128.019; 90 | 12491.9 | Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2014, 118, 416 |
| 1513380 | CIF | C43 H34 Cl Gd4 N6 O29 | C 1 2/c 1 | 34.5583; 19.0573; 23.688 90; 128.188; 90 | 12261.9 | Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2014, 118, 416 |
| 1513806 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.4443; 12.4443; 13.0384 90; 90; 120 | 1748.62 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
| 1513807 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.3948; 12.3948; 12.8871 90; 90; 120 | 1714.61 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
| 1513808 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.4109; 12.4109; 12.99059 90; 90; 120 | 1732.87 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
| 1513809 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.3959; 12.3959; 12.9208 90; 90; 120 | 1719.4 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
| 1513810 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.5077; 12.5077; 13.0995 90; 90; 120 | 1774.76 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
| 1514183 | CIF | C6 Al K O5 Si2 | P 1 21/a 1 | 10.1307; 9.1486; 10.6002 90; 106.526; 90 | 941.86 | Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit The Journal of Physical Chemistry C, 2014, 118, 7458 |
| 1514184 | CIF | C6 Al K0.883 O7.255 Si2 | P 1 21/a 1 | 10.831; 10.4782; 10.6059 90; 109.924; 90 | 1131.61 | Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit The Journal of Physical Chemistry C, 2014, 118, 7458 |
| 1514242 | CIF | C4 H N5 | P 1 21/c 1 | 6.0001; 11.0822; 7.5504 90; 94.0457; 90 | 500.81 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
| 1514243 | CIF | C16 H20 Li2 N10 O4 | P -1 | 7.3027; 12.0514; 13.4782 78.9079; 84.1793; 73.2896 | 1113.53 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
| 1514244 | CIF | C20 H28 Li2 N10 O6 | P -1 | 9.1877; 9.2708; 9.6723 104.991; 111.404; 103.684 | 688.94 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
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