Crystallography Open Database

Result: there are 1301 entries in the selection

Switch to the old layout of the page

Download 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'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 27 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
7220701 CIFC13 H15 N5 O7P -16.6831; 10.6065; 11.8839
73.513; 87.771; 75.787
782.59Panja, 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 CIFC30 H24 N2 Ni2 O8P 16.9472; 8.1805; 12.1722
91.1412; 103.873; 104.55
647.678Bon, 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 CIFC54 H72 N2 Ni2 O8P 1 21/m 120.446; 16.4661; 9.3532
90; 94.0138; 90
3141.18Bon, 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 CIFC48 H78 N2 Ni2 O8P 19.4778; 11.0657; 12.6936
101.544; 92.0654; 100.59
1278.46Bon, 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 CIFC22 H18 N2I 41/a :218.225; 18.225; 9.896
90; 90; 90
3287Garg, 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 CIFC22 H18 N2P -18.44; 9.676; 10.316
75.506; 87.977; 79.212
801.2Garg, 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 CIFCa Ho0.05 La1.5 Mo4 O16 Yb0.45I 41/a :25.29961; 5.29961; 11.70466
90; 90; 90
328.736Lim, 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 CIFCa Ho0.05 La1.55 Mo4 O16 Yb0.4I 41/a :25.30206; 5.30206; 11.71178
90; 90; 90
329.24Lim, 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 CIFCa Ho0.05 La1.45 Mo4 O16 Yb0.5I 41/a :25.29843; 5.29843; 11.71297
90; 90; 90
328.822Lim, 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 CIFCa La2 Mo4 O16I 41/a :25.33701; 5.33701; 11.82903
90; 90; 90
336.93Lim, 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 CIFCa Ho0.05 La1.6 Mo4 O16 Yb0.35I 41/a :25.303003; 5.303003; 11.71619
90; 90; 90
329.481Lim, 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 CIFC17 H23 N3 O2P 1 21/n 16.8038; 17.311; 13.4729
90; 99.299; 90
1565.99Chatterjee, 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 CIFC17 H23 N3 O2P 1 21/n 110.896; 7.886; 19.222
90; 94.135; 90
1647.4Chatterjee, 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 CIFC16 H20 N2 O3P 1 21/n 17.1834; 12.7135; 16.514
90; 97.201; 90
1496.26Chatterjee, 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 CIFC16 H20 N2 O3P 1 21/n 113.818; 7.428; 15.482
90; 93.055; 90
1586.8Chatterjee, 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 CIFC17 H13 N O2P 1 21/n 18.804; 7.685; 21.631
90; 100.287; 90
1440Karunakaran, 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 CIFC14 H10 Br N3P 1 21/c 17.7832; 9.8765; 16.564
90; 91.056; 90
1273.1Ghosh, 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 CIFAg2 SI m -3 m4.8741; 4.8741; 4.8741
90; 90; 90
115.793Sadovnikov, 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 CIFC23 H29 N OP 1 2/c 112.8075; 9.6355; 15.8732
90; 96.659; 90
1945.64Thériault, 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 CIFC26 H29 N3P 1 21/a 113.2115; 9.4084; 18.0693
90; 107.007; 90
2147.78Thériault, 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 CIFC4 H6 N4 O3 S2P -15.2819; 8.9293; 9.3525
104.658; 99.308; 99.803
410.69Thomas, 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 CIFC26 H23 Cl2 Co N6 O2P -18.924; 10.108; 14.354
91.53; 103.39; 100.48
1235.4Kamyabi, 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 CIFC22 H22 N2 O8P 1 21/c 112.817; 7.3554; 11.1126
90; 98.49; 90
1036.15Silberstein, 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 CIFC19 H18 GeP 1 21/c 118.5689; 9.5521; 18.3723
90; 107.433; 90
3109.05Bernatowicz, 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 CIFC40 H51 N5 O SP -110.387; 10.78; 17.168
90.321; 95.987; 93.823
1907.4Xu, 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 CIFC60 H54 F18 O18 S12 Yb2C 1 2/c 141.711; 11.8124; 16.553
90; 98.582; 90
8064.5Li, 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 CIFC26 H18 F9 O7 S4 YbP 21 21 2110.914; 11.4933; 26.0098
90; 90; 90
3262.6Li, 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 CIFC14 H15 N O3C m c 216.6923; 7.5956; 22.7742
90; 90; 90
1157.66Kanosue, 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 CIFC14 H15 N O4P -15.0909; 5.2071; 23.0054
93.826; 94.857; 98.102
599.68Kanosue, 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 CIFC22 H18 B0.5 N2.5P b c n20.669; 13.906; 12.406
90; 90; 90
3565.8Kumar, 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 CIFC35 H34 B N3P -18.2822; 11.668; 16.026
97.984; 94.609; 101.2
1495.3Kumar, 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 CIFC24 H22 N OC 1 2/c 117.6732; 7.1183; 29.6076
90; 100.828; 90
3658.4Teki, 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 CIFC24 H22 N OP 1 21/c 18.7919; 26.2294; 8.1257
90; 103.413; 90
1822.7Teki, 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
7223319 CIFC46 H68 N2 S2P -15.5193; 8.7116; 23.1468
84.894; 88.701; 72.509
1057.26Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo
Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 1507-1515
7223426 CIFC16 H21 Br O SiP 1 21 17.0513; 7.6501; 15.5178
90; 101.367; 90
820.66Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L.
Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction.
Physical chemistry chemical physics : PCCP, 2016, 18, 1720-1726
7223530 CIFC47 H39 NP n m a15.6323; 14.7468; 14.4198
90; 90; 90
3324.1Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737
7223531 CIFC42 H25 Cl3P -18.51239; 12.4653; 14.2625
91.3139; 93.6817; 101.235
1480.35Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737
7223532 CIFC45 H29P 1 21/c 18.42; 14.384; 24.107
90; 91.53; 90
2918.64Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737
7223553 CIFC84 H72 N8 O19 S24P 1 21/m 110.8302; 33.4895; 13.8319
90; 99.191; 90
4952.4Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie
An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.
Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948
7223554 CIFC64 H52 N8 O21 S8C 1 2/c 123.6681; 22.0587; 13.2272
90; 111.589; 90
6421.3Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie
An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.
Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948
7223851 CIFC30 H21 F6 Mn O6R -3 :H18.583; 18.583; 14.503
90; 90; 120
4337.3Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956
7223852 CIFC28 H40 Cl Mn N2 O8C 1 2/c 116.325; 17.663; 12.491
90; 115.434; 90
3252.7Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956
7223853 CIFC38 H40 F4 Mn N2 O4C 1 2/c 118.2229; 19.0407; 11.7031
90; 115.785; 90
3656.4Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956
7223984 CIFC60 H24 N8 O8 Zn3I 4/m m m16.679; 16.679; 17.674
90; 90; 90
4916.7Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku
Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination.
Physical chemistry chemical physics : PCCP, 2016, 18, 5453-5463
7223985 CIFC10 F8P 1 21/c 113.3203; 4.8791; 19.8516
90; 100.245; 90
1269.61Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7223986 CIFC10 Cl8P 1 21/n 19.7244; 7.1739; 18.2816
90; 98.317; 90
1261.9Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7223987 CIFC10 Br8P b c n11.3832; 7.8114; 16.5506
90; 90; 90
1471.66Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7223988 CIFC14 Cl10P -17.1558; 9.5084; 12.4684
75.854; 82.701; 87.954
815.95Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7224087 CIFC8 H14 O12 ZnP -15.1749; 7.2736; 9.1901
108.304; 105.213; 92.434
313.95Ruggiero, 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
7224088 CIFC8 H14 Ni O12P -15.142; 7.2793; 9.1121
108.025; 105.191; 92.14
310.38Ruggiero, 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

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 27 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!