Crystallography Open Database
Search results
Result: there are 94 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 17
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7220453 | CIF | C77 H67 Cl2 N5 Zn | P 1 21/a 1 | 17.737; 18.295; 19.069 90; 92.168; 90 | 6183.4 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
| 7220454 | CIF | C71 H76 N4 O5 Zn | P 1 21/a 1 | 19.126; 17.2247; 19.215 90; 93.303; 90 | 6319.7 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
| 7220455 | CIF | C53 H21 F12 N5 Zn | P -1 | 16.724; 16.971; 20.045 107.054; 107.58; 105.011 | 4793 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
| 7220526 | CIF | Cu2 Se4 Sn Zn | I -4 2 m | 5.69647; 5.69647; 11.3394 90; 90; 90 | 367.961 | Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe). Physical chemistry chemical physics : PCCP, 2015, 17, 15088-15092 |
| 7220573 | CIF | C12 H13 N3 O7 | P 1 21/c 1 | 10.056; 15.875; 9.709 90; 115.617; 90 | 1398 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
| 7220574 | CIF | C13 H13 N3 O9 | P 21 21 21 | 4.895; 12.127; 27.29 90; 90; 90 | 1620 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
| 7220575 | CIF | C14 H15 N3 O9 | P 21 21 21 | 8.759; 12.834; 30.603 90; 90; 90 | 3440 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
| 7220580 | CIF | C2 Cl2 F N S | P 21 21 21 | 5.9327; 8.3874; 11.5697 90; 90; 90 | 575.707 | Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases. Physical chemistry chemical physics : PCCP, 2015, 17, 15805-15812 |
| 7220643 | CIF | C35 H32 Eu F9 O11 S | P -1 | 11.1497; 13.5201; 14.2594 75.358; 74.28; 83.906 | 2000.3 | Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes. Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144 |
| 7220644 | CIF | C74 H66 Eu2 F18 O22 S4 | C 1 2/c 1 | 22.453; 23.9254; 19.4634 90; 122.737; 90 | 8794.9 | Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes. Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144 |
| 7220700 | CIF | C11 H11 N5 O7 | P -1 | 7.3233; 9.6646; 10.3323 78.588; 80.835; 85.796 | 707.02 | Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding. Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177 |
| 7220701 | CIF | C13 H15 N5 O7 | P -1 | 6.6831; 10.6065; 11.8839 73.513; 87.771; 75.787 | 782.59 | Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding. Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177 |
| 7220735 | CIF | C30 H24 N2 Ni2 O8 | P 1 | 6.9472; 8.1805; 12.1722 91.1412; 103.873; 104.55 | 647.678 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
| 7220736 | CIF | C54 H72 N2 Ni2 O8 | P 1 21/m 1 | 20.446; 16.4661; 9.3532 90; 94.0138; 90 | 3141.18 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
| 7220737 | CIF | C48 H78 N2 Ni2 O8 | P 1 | 9.4778; 11.0657; 12.6936 101.544; 92.0654; 100.59 | 1278.46 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
| 7220849 | CIF | C22 H18 N2 | I 41/a :2 | 18.225; 18.225; 9.896 90; 90; 90 | 3287 | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473 |
| 7220850 | CIF | C22 H18 N2 | P -1 | 8.44; 9.676; 10.316 75.506; 87.977; 79.212 | 801.2 | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473 |
| 7220851 | CIF | Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 | I 41/a :2 | 5.29961; 5.29961; 11.70466 90; 90; 90 | 328.736 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220852 | CIF | Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 | I 41/a :2 | 5.30206; 5.30206; 11.71178 90; 90; 90 | 329.24 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220853 | CIF | Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 | I 41/a :2 | 5.29843; 5.29843; 11.71297 90; 90; 90 | 328.822 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220854 | CIF | Ca La2 Mo4 O16 | I 41/a :2 | 5.33701; 5.33701; 11.82903 90; 90; 90 | 336.93 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220855 | CIF | Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 | I 41/a :2 | 5.303003; 5.303003; 11.71619 90; 90; 90 | 329.481 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220885 | CIF | C17 H23 N3 O2 | P 1 21/n 1 | 6.8038; 17.311; 13.4729 90; 99.299; 90 | 1565.99 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220886 | CIF | C17 H23 N3 O2 | P 1 21/n 1 | 10.896; 7.886; 19.222 90; 94.135; 90 | 1647.4 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220887 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 7.1834; 12.7135; 16.514 90; 97.201; 90 | 1496.26 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220888 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 13.818; 7.428; 15.482 90; 93.055; 90 | 1586.8 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220917 | CIF | C17 H13 N O2 | P 1 21/n 1 | 8.804; 7.685; 21.631 90; 100.287; 90 | 1440 | Karunakaran, Venugopal; Prabhu, Deepak D.; Das, Suresh; Varughese, Sunil Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules. Physical chemistry chemical physics : PCCP, 2015, 17, 18768-18779 |
| 7220981 | CIF | C14 H10 Br N3 | P 1 21/c 1 | 7.7832; 9.8765; 16.564 90; 91.056; 90 | 1273.1 | Ghosh, Pritam; Roy, Biswajit Gopal; Jana, Saibal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata Colorimetric and fluorimetric response of Schiff base molecules towards fluoride anion, solution test kit fabrication, logical interpretations and DFT-D3 study. Physical chemistry chemical physics : PCCP, 2015, 17, 20288-20295 |
| 7221650 | CIF | Ag2 S | I m -3 m | 4.8741; 4.8741; 4.8741 90; 90; 90 | 115.793 | Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A. An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder. Physical chemistry chemical physics : PCCP, 2015, 17, 20495-20501 |
| 7221662 | CIF | C23 H29 N O | P 1 2/c 1 | 12.8075; 9.6355; 15.8732 90; 96.659; 90 | 1945.64 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
| 7221663 | CIF | C26 H29 N3 | P 1 21/a 1 | 13.2115; 9.4084; 18.0693 90; 107.007; 90 | 2147.78 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
| 7221877 | CIF | C4 H6 N4 O3 S2 | P -1 | 5.2819; 8.9293; 9.3525 104.658; 99.308; 99.803 | 410.69 | Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N. SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide. Physical chemistry chemical physics : PCCP, 2015, 17, 25411-25420 |
| 7222036 | CIF | C26 H23 Cl2 Co N6 O2 | P -1 | 8.924; 10.108; 14.354 91.53; 103.39; 100.48 | 1235.4 | Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface. Physical chemistry chemical physics : PCCP, 2015, 17, 32161-32172 |
| 7222256 | CIF | C22 H22 N2 O8 | P 1 21/c 1 | 12.817; 7.3554; 11.1126 90; 98.49; 90 | 1036.15 | Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction. Physical chemistry chemical physics : PCCP, 2015, 17, 27665-27671 |
| 7222399 | CIF | C19 H18 Ge | P 1 21/c 1 | 18.5689; 9.5521; 18.3723 90; 107.433; 90 | 3109.05 | Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids. Physical chemistry chemical physics : PCCP, 2015, 17, 28866-28878 |
| 7222453 | CIF | C40 H51 N5 O S | P -1 | 10.387; 10.78; 17.168 90.321; 95.987; 93.823 | 1907.4 | Xu, Huajun; Yang, Dan; Liu, Fenggang; Fu, Mingkai; Bo, Shuhui; Liu, Xinhou; Cao, Yuan Nonlinear optical chromophores based on Dewar's rules: enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge. Physical chemistry chemical physics : PCCP, 2015, 17, 29679-29688 |
| 7223005 | CIF | C60 H54 F18 O18 S12 Yb2 | C 1 2/c 1 | 41.711; 11.8124; 16.553 90; 98.582; 90 | 8064.5 | Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates. Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517 |
| 7223006 | CIF | C26 H18 F9 O7 S4 Yb | P 21 21 21 | 10.914; 11.4933; 26.0098 90; 90; 90 | 3262.6 | Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates. Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517 |
| 7223024 | CIF | C14 H15 N O3 | C m c 21 | 6.6923; 7.5956; 22.7742 90; 90; 90 | 1157.66 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
| 7223025 | CIF | C14 H15 N O4 | P -1 | 5.0909; 5.2071; 23.0054 93.826; 94.857; 98.102 | 599.68 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
| 7223075 | CIF | C22 H18 B0.5 N2.5 | P b c n | 20.669; 13.906; 12.406 90; 90; 90 | 3565.8 | Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination. Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432 |
| 7223076 | CIF | C35 H34 B N3 | P -1 | 8.2822; 11.668; 16.026 97.984; 94.609; 101.2 | 1495.3 | Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination. Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432 |
| 7223106 | CIF | C24 H22 N O | C 1 2/c 1 | 17.6732; 7.1183; 29.6076 90; 100.828; 90 | 3658.4 | Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals. Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652 |
| 7223107 | CIF | C24 H22 N O | P 1 21/c 1 | 8.7919; 26.2294; 8.1257 90; 103.413; 90 | 1822.7 | Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals. Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!