Crystallography Open Database
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Searching journal of publication like 'The Journal of Physical Chemistry B' volume of publication is 108
COD ID: 1506805 | |
CIF file | Formula: - C18 H19 N O4 - Comments: Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives The Journal of Physical Chemistry B 108(6) (2004) 1831 Space group: P 1 21/c 1 Cell volume: 1647.1 Cell parameters: 9.0694; 22.47; 8.1591; 90; 97.872; 90; |
COD ID: 1506806 | |
CIF file | Formula: - C19 H21 N O4 - Comments: Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives The Journal of Physical Chemistry B 108(6) (2004) 1831 Space group: P 1 21/c 1 Cell volume: 1702.02 Cell parameters: 8.9277; 23.583; 8.1672; 90; 98.186; 90; |
COD ID: 1506810 | |
CIF file | Formula: - C46 H54 N14 Ni O8 - Comments: Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B 108(7) (2004) 2173 Space group: P -1 Cell volume: 2407.3 Cell parameters: 13.181; 13.563; 14.545; 91.87; 96.19; 110.94; |
COD ID: 1506811 | |
CIF file | Formula: - C48 H58 N14 Ni O8 - Comments: Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B 108(7) (2004) 2173 Space group: P 1 21/n 1 Cell volume: 4873.7 Cell parameters: 14.351; 22.677; 15.373; 90; 103.05; 90; |
COD ID: 1506812 | |
CIF file | Formula: - C43 H50 Cl2 N12 Ni O8 - Comments: Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B 108(7) (2004) 2173 Space group: P -1 Cell volume: 2303.7 Cell parameters: 12.795; 13.686; 15.496; 107.75; 104.22; 106.73; |
COD ID: 1506813 | |
CIF file | Formula: - C54 H52 N14 Ni O8 Se3 - Comments: Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B 108(7) (2004) 2173 Space group: P 1 21/c 1 Cell volume: 5553.6 Cell parameters: 18.917; 23.658; 12.853; 90; 105.1; 90; |
COD ID: 1506815 | |
CIF file | Formula: - C10 H8 N4 S - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: P 1 21/c 1 Cell volume: 2176.8 Cell parameters: 7.252; 22.588; 13.668; 90; 103.53; 90; |
COD ID: 1506816 | |
CIF file | Formula: - C12 H11 N5 S - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: P 1 21/c 1 Cell volume: 1364.1 Cell parameters: 6.631; 28.084; 7.325; 90; 90.12; 90; |
COD ID: 1506817 | |
CIF file | Formula: - C10 H8 N4 S - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: P 1 21 1 Cell volume: 1087.3 Cell parameters: 6.894; 12.355; 13.064; 90; 102.27; 90; |
COD ID: 1506818 | |
CIF file | Formula: - C9 H7 N4 O1.5 - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: F d d 2 Cell volume: 3772.9 Cell parameters: 24.447; 40.453; 3.815; 90; 90; 90; |
COD ID: 1506819 | |
CIF file | Formula: - C13 H9 N5 - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: P n a 21 Cell volume: 1182.7 Cell parameters: 10.208; 22.983; 5.041; 90; 90; 90; |
COD ID: 1506820 | |
CIF file | Formula: - C19 H15 N5 - Comments: Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B 108(25) (2004) 8531 Space group: P 1 21/c 1 Cell volume: 1609.7 Cell parameters: 8.437; 11.525; 16.874; 90; 101.16; 90; |
COD ID: 1506821 | |
CIF file | Formula: - C36 H43 Fe2 N6 O4 S2 - Comments: Bediako-Amoa, Irene; Sutherland, Todd C.; Li, Chen-Zhong; Silerova, Roberta; Kraatz, Heinz-Bernhard Electrochemical and Surface Study of Ferrocenoyl Oligopeptides The Journal of Physical Chemistry B 108(2) (2004) 704 Space group: P 1 21 1 Cell volume: 3776.7 Cell parameters: 11.8218; 17.0636; 18.9362; 90; 98.624; 90; |
COD ID: 1506822 | |
CIF file | Formula: - C16 F8 N4 - Comments: Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B. Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile The Journal of Physical Chemistry B 108(11) (2004) 3663 Space group: P b c a Cell volume: 3047.7 Cell parameters: 10.411; 13.338; 21.948; 90; 90; 90; |
COD ID: 1506823 | |
CIF file | Formula: - C8 F4 N2 - Comments: Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B. Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile The Journal of Physical Chemistry B 108(11) (2004) 3663 Space group: P 21 21 21 Cell volume: 743.37 Cell parameters: 5.655; 10.644; 12.35; 90; 90; 90; |
COD ID: 1506824 | |
CIF file | Formula: - C33 H36 N3 O3.5 P0.5 Tb0.5 - Comments: Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes The Journal of Physical Chemistry B 108(30) (2004) 10796 Space group: P -1 Cell volume: 2996.4 Cell parameters: 12.049; 13.986; 18.529; 96.74; 104.78; 90.23; |
COD ID: 1506825 | |
CIF file | Formula: - C61 H66 Cl3 N8 O6 Tb - Comments: Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes The Journal of Physical Chemistry B 108(30) (2004) 10796 Space group: P -1 Cell volume: 2899.9 Cell parameters: 12.8867; 13.9288; 19.09; 69.13; 77.076; 65.411; |
COD ID: 1506826 | |
CIF file | Formula: - C48 H59 N6 O7 Tb - Comments: Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes The Journal of Physical Chemistry B 108(30) (2004) 10796 Space group: P 1 21/c 1 Cell volume: 4877.1 Cell parameters: 15.4491; 23.7237; 15.08; 90; 118.064; 90; |
COD ID: 1506828 | |
CIF file | Formula: - C33 H28 B N O2 - Comments: Yu, Jen-Kan; Cheng, Yi-Ming; Hu, Ya-Hui; Chou, Pi-Tai; Chen, Yao-Lun; Lee, Shin-Wun; Chi, Yun Probing Triplet State Properties of Organic Chromophores via Design and Synthesis of Os(II)-Diketonate Complexes: The Triplet State Intramolecular Charge Transfer The Journal of Physical Chemistry B 108(52) (2004) 19908 Space group: P 1 21/n 1 Cell volume: 2582.8 Cell parameters: 10.4104; 9.5076; 26.2207; 90; 95.623; 90; |
COD ID: 1506829 | |
CIF file | Formula: - C S2 - Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Compression of Intermolecular Interactions in CS2Crystal The Journal of Physical Chemistry B 108(50) (2004) 19089 Space group: C m c a Cell volume: 270.1 Cell parameters: 6.0381; 5.351; 8.359; 90; 90; 90; |
COD ID: 1506830 | |
CIF file | Formula: - C S2 - Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Compression of Intermolecular Interactions in CS2Crystal The Journal of Physical Chemistry B 108(50) (2004) 19089 Space group: C m c a Cell volume: 244 Cell parameters: 5.8154; 5.215; 8.0463; 90; 90; 90; |
COD ID: 1506831 | |
CIF file | Formula: - C18 H22 N5 O3 - Comments: Shiomi, Daisuke; Nozaki, Mikito; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Cytosine-Substituted Nitronylnitroxide Radical: A Key Component for Bio-Inspired Molecule-Based Magnetics The Journal of Physical Chemistry B 108(43) (2004) 16606 Space group: P -1 Cell volume: 1895 Cell parameters: 6.978; 14.5287; 20.0342; 78.023; 75.2; 78; |
COD ID: 1506832 | |
CIF file | Formula: - C6 H16 N12 O7 P2 - Comments: Brodski, Vladimir; Peschar, René; Schenk, Henk; Brinkmann, Andreas; van Eck, Ernst R. H.; Kentgens, Arno P. M.; Coussens, Betty; Braam, Ad Structure of Melaminium Dihydrogenpyrophosphate and Its Formation from Melaminium Dihydrogenphosphate Studied with Powder Diffraction Data, Solid-State NMR, and Theoretical Calculations The Journal of Physical Chemistry B 108(39) (2004) 15069 Space group: P -1 Cell volume: 789.501 Cell parameters: 10.8932; 11.2079; 6.8424; 104.969; 101.473; 83.805; |
COD ID: 1506839 | |
CIF file | Formula: - C22 H24 F9 N O S - Comments: Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B. SF5-Terminated Fluorinated Schiff Base Liquid Crystals The Journal of Physical Chemistry B 108(52) (2004) 19940 Space group: P 1 21/a 1 Cell volume: 2345.2 Cell parameters: 18.849; 5.5418; 22.618; 90; 96.956; 90; |
COD ID: 1506840 | |
CIF file | Formula: - C12 H52 Al2 N8 O21 P4 - Comments: Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16) The Journal of Physical Chemistry B 108(52) (2004) 20020 Space group: P b c a Cell volume: 6969.2 Cell parameters: 17.6569; 15.4289; 25.5819; 90; 90; 90; |
COD ID: 1506841 | |
CIF file | Formula: - C24 H116 Al7 Li3 N16 O64 P12 - Comments: Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga) The Journal of Physical Chemistry B 108(52) (2004) 20011 Space group: I -4 3 m Cell volume: 4624.66 Cell parameters: 16.6607; 16.6607; 16.6607; 90; 90; 90; |
COD ID: 1506842 | |
CIF file | Formula: - C24 H116 Ga7 Li3 N16 O64 P12 - Comments: Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga) The Journal of Physical Chemistry B 108(52) (2004) 20011 Space group: I -4 3 m Cell volume: 4775.16 Cell parameters: 16.8395; 16.8395; 16.8395; 90; 90; 90; |
COD ID: 1506843 | |
CIF file | Formula: - C24 H116 Al7 N16 Na3 O64 P12 - Comments: Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga) The Journal of Physical Chemistry B 108(52) (2004) 20011 Space group: I -4 3 m Cell volume: 4694.71 Cell parameters: 16.7444; 16.7444; 16.7444; 90; 90; 90; |
COD ID: 1506844 | |
CIF file | Formula: - C30 H26 O4 - Comments: Zhang, Haiquan; Yang, Bing; Zheng, Yan; Yang, Guangdi; Ye, Ling; Ma, Yuguang; Chen, Xinfang; Cheng, Gang; Liu, Shiyong New Biphenyl Derivative with Planar Phenyl−Phenyl Conformation in Crystal at Room Temperature Exhibits Highly Efficient UV Light-Emitting The Journal of Physical Chemistry B 108(28) (2004) 9571 Space group: P 1 21/c 1 Cell volume: 1201.8 Cell parameters: 13.2938; 7.32; 12.7067; 90; 103.61; 90; |
COD ID: 1506845 | |
CIF file | Formula: - C22 H24 N2 - Comments: Nishiumi, Toyohiko; Nomura, Yasuhiro; Chimoto, Yuya; Higuchi, Masayoshi; Yamamoto, Kimihisa The Class II/III Transition Electron Transfer on an Infrared Vibrational Time Scale forN,N‘-Diphenyl-1,4-phenylenediamine Structures The Journal of Physical Chemistry B 108(23) (2004) 7992 Space group: P 1 21/n 1 Cell volume: 894.5 Cell parameters: 8.062; 14.302; 7.977; 90; 103.46; 90; |
COD ID: 1506846 | |
CIF file | Formula: - C56 H76 P2 Pt - Comments: Haskins-Glusac, Ksenija; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S. Photophysics and Photochemistry of Stilbene-Containing Platinum Acetylides The Journal of Physical Chemistry B 108(16) (2004) 4969 Space group: P -1 Cell volume: 1245.28 Cell parameters: 10.0075; 10.7197; 12.8122; 101.67; 109.882; 95.533; |
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