Crystallography Open Database

Search results

Result : There are 71 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 19

COD ID: 7227091

Formula: - C47.5 H37.5 Cl4.5 N2 O6 -
Comments: Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Shirasaki, Yoshinao; Ooyama, Yousuke; Ueda, Masashi; Uchiyama, Masanobu; Enomoto, Shuichi; Sawada, Daisuke Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran. Physical chemistry chemical physics : PCCP 19(2) (2017) 1209-1216
Space group: P 1 21 1
Cell volume: 4167
Cell parameters: 9.374; 35.9; 12.405; 90; 93.387; 90;

COD ID: 7227208

Formula: - C10 H F11 N2 -
Comments: Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP 19(2) (2017) 1632-1643
Space group: P 21 21 21
Cell volume: 1156.75
Cell parameters: 5.1207; 9.1029; 24.816; 90; 90; 90;

COD ID: 7227209

Formula: - C9 H F9 N2 -
Comments: Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP 19(2) (2017) 1632-1643
Space group: P 32
Cell volume: 742.81
Cell parameters: 12.4065; 12.4065; 5.5725; 90; 90; 120;

COD ID: 7227210

Formula: - C9 H F9 N2 -
Comments: Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP 19(2) (2017) 1632-1643
Space group: P 32
Cell volume: 740.42
Cell parameters: 12.3863; 12.3863; 5.5727; 90; 90; 120;

COD ID: 7227211

Formula: - C25 H23 N O3 -
Comments: Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. Physical chemistry chemical physics : PCCP 19(2) (2017) 1244-1256
Space group: P 1 21/c 1
Cell volume: 1915.4
Cell parameters: 16.3324; 7.7981; 15.33; 90; 101.178; 90;

COD ID: 7227212

Formula: - C26 H25 N O4 -
Comments: Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. Physical chemistry chemical physics : PCCP 19(2) (2017) 1244-1256
Space group: P 1 21/n 1
Cell volume: 2111.4
Cell parameters: 12.6799; 9.0474; 18.899; 90; 103.126; 90;

COD ID: 7227213

Formula: - C26 H26 N2 O2 -
Comments: Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. Physical chemistry chemical physics : PCCP 19(2) (2017) 1244-1256
Space group: P -1
Cell volume: 2043.7
Cell parameters: 7.466; 13.752; 20.182; 82.47; 84.186; 89.182;

COD ID: 7227251

Formula: - C8 H20 B0.504 F4.992 N P0.496 -
Comments: Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases. Physical chemistry chemical physics : PCCP 19(3) (2017) 2053-2059
Space group: I -4
Cell volume: 620.5
Cell parameters: 9.324; 9.324; 7.1369; 90; 90; 90;

COD ID: 7227252

Formula: - C18 H18 N4 O2 -
Comments: Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP 19(10) (2017) 6981-6988
Space group: P 1 21/c 1
Cell volume: 774.14
Cell parameters: 5.8457; 13.5935; 9.8497; 90; 98.476; 90;

COD ID: 7227253

Formula: - C20 H22 N4 O2 -
Comments: Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP 19(10) (2017) 6981-6988
Space group: P c a b
Cell volume: 1743
Cell parameters: 10.2451; 11.074; 15.3632; 90; 90; 90;

COD ID: 7227254

Formula: - C26 H34 N4 O4 -
Comments: Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP 19(10) (2017) 6981-6988
Space group: P 1 21/a 1
Cell volume: 1297.84
Cell parameters: 8.6751; 11.2503; 13.3424; 90; 94.681; 90;

COD ID: 7227255

Formula: - C22 H26 N4 O2 -
Comments: Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP 19(10) (2017) 6981-6988
Space group: P 1 21/a 1
Cell volume: 989.1
Cell parameters: 8.829; 11.313; 10.403; 90; 107.834; 90;

COD ID: 7227311

Formula: - C26 H18 Co N4 O2 S2 -
Comments: Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers. Physical chemistry chemical physics : PCCP 19(4) (2017) 3232-3243
Space group: P 21 21 21
Cell volume: 2399.56
Cell parameters: 6.7549; 11.0133; 32.2549; 90; 90; 90;

COD ID: 7227312

Formula: - C16 H14 Co N4 S2 -
Comments: Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers. Physical chemistry chemical physics : PCCP 19(4) (2017) 3232-3243
Space group: P -1
Cell volume: 879.62
Cell parameters: 9.105; 10.7073; 11.0049; 115.112; 93.167; 110.952;

COD ID: 7227313

Formula: - C54 H45 Cr N16 O8 Ru2 S -
Comments: Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D. Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization. Physical chemistry chemical physics : PCCP 19(4) (2017) 2882-2893
Space group: P 1 21 1
Cell volume: 3384.1
Cell parameters: 12.3182; 22.004; 13.2118; 90; 109.093; 90;

COD ID: 7227314

Formula: - C47 H43 Cl F12 N10 O P2 Ru2 -
Comments: Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D. Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization. Physical chemistry chemical physics : PCCP 19(4) (2017) 2882-2893
Space group: P 1 21/c 1
Cell volume: 5590
Cell parameters: 13.779; 18.119; 22.414; 90; 92.599; 90;

COD ID: 7227334

Formula: - C32 H16 F6 -
Comments: Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP 19(4) (2017) 2900-2907
Space group: C 1 2/c 1
Cell volume: 2270.6
Cell parameters: 7.4459; 17.9293; 17.1981; 90; 98.529; 90;

COD ID: 7227335

Formula: - C26 H12 F4 -
Comments: Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP 19(4) (2017) 2900-2907
Space group: P 1 21/n 1
Cell volume: 1729.8
Cell parameters: 7.5783; 20.3575; 11.4292; 90; 101.178; 90;

COD ID: 7227336

Formula: - C26 H16 -
Comments: Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP 19(4) (2017) 2900-2907
Space group: P 21 21 21
Cell volume: 1650.11
Cell parameters: 7.3058; 12.947; 17.4452; 90; 90; 90;

COD ID: 7227337

Formula: - C26 H16 -
Comments: Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP 19(4) (2017) 2900-2907
Space group: P 21 21 21
Cell volume: 1698.43
Cell parameters: 7.3417; 13.1529; 17.5885; 90; 90; 90;

COD ID: 7227338

Formula: - C26 H16 -
Comments: Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP 19(4) (2017) 2900-2907
Space group: P 21 21 21
Cell volume: 1667.38
Cell parameters: 7.328; 13.04; 17.449; 90; 90; 90;

COD ID: 7227352

Formula: - C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 -
Comments: Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP 19(6) (2017) 4530-4540
Space group: P -1
Cell volume: 2227.5
Cell parameters: 10.166; 13.696; 17.241; 104.5; 105.38; 92.03;

COD ID: 7227353

Formula: - C64 H34 N9 Ni O2 -
Comments: Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP 19(6) (2017) 4530-4540
Space group: C 1 2/c 1
Cell volume: 10460
Cell parameters: 24.899; 12.615; 33.689; 90; 98.7; 90;

COD ID: 7227354

Formula: - C233 H141 Cl3 N20 Ni4 O16 -
Comments: Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP 19(6) (2017) 4530-4540
Space group: P -1
Cell volume: 5148
Cell parameters: 13.236; 16.471; 24.435; 90.79; 103.49; 96.01;

COD ID: 7227366

Formula: - C9 H9 Cl2 N3 -
Comments: Kolesnikova, Inna N.; Rykov, Anatolii N.; Shishkov, Igor F.; Tafeenko, Victor A.; Aslanov, Leonid A. Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies. Physical chemistry chemical physics : PCCP 19(6) (2017) 4618-4626
Space group: P 1 21/c 1
Cell volume: 2022.88
Cell parameters: 17.8433; 8.2767; 15.1223; 90; 115.072; 90;

COD ID: 7227367

Formula: - C15 H34 Br P -
Comments: Gamarra, Ana; Urpí, Lourdes; Martínez de Ilarduya, Antxon; Muñoz-Guerra, Sebastián Crystalline structure and thermotropic behavior of alkyltrimethylphosphonium amphiphiles. Physical chemistry chemical physics : PCCP 19(6) (2017) 4370-4382
Space group: P 1 21/c 1
Cell volume: 1843.51
Cell parameters: 18.2906; 7.9655; 12.6721; 90; 93.119; 90;

COD ID: 7227385
CIF file	Formula: - C30 H20 O4 - Comments: Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins. Physical chemistry chemical physics : PCCP 19(6) (2017) 4758-4767 Space group: P 21 21 21 Cell volume: 2165.43 Cell parameters: 9.008; 15.383; 15.627; 90; 90; 90;

COD ID: 7227386
CIF file	Formula: - C20 H20 O2 - Comments: Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins. Physical chemistry chemical physics : PCCP 19(6) (2017) 4758-4767 Space group: P -1 Cell volume: 1576.5 Cell parameters: 11.798; 12.109; 12.211; 95.007; 102.009; 110.256;

COD ID: 7227387

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 590.68
Cell parameters: 15.247; 5.005; 10.4052; 90; 131.936; 90;

COD ID: 7227388

Formula: - C4 H2 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 581.3
Cell parameters: 15.075; 4.9857; 10.382; 90; 131.84; 90;

COD ID: 7227389

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 538.3
Cell parameters: 14.342; 4.8946; 10.487; 90; 133.01; 90;

COD ID: 7227390

Formula: - C4 H2 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 572
Cell parameters: 14.84; 4.98; 10.36; 90; 131.64; 90;

COD ID: 7227391

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 520.6
Cell parameters: 14.168; 4.8351; 10.715; 90; 134.825; 90;

COD ID: 7227392

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 513.1
Cell parameters: 14.095; 4.8107; 10.788; 90; 135.458; 90;

COD ID: 7227393

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 557.5
Cell parameters: 14.639; 4.9393; 10.379; 90; 132.027; 90;

COD ID: 7227394

Formula: - C4 H2 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 586.73
Cell parameters: 15.181; 4.9938; 10.405; 90; 131.943; 90;

COD ID: 7227395

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 547.3
Cell parameters: 14.477; 4.9154; 10.425; 90; 132.46; 90;

COD ID: 7227396

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 506.3
Cell parameters: 14.024; 4.789; 10.837; 90; 135.927; 90;

COD ID: 7227397

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 559.2
Cell parameters: 14.67; 4.946; 10.365; 90; 131.97; 90;

COD ID: 7227398

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 526.9
Cell parameters: 14.231; 4.856; 10.642; 90; 134.235; 90;

COD ID: 7227399

Formula: - C4 H4 Li2 O6 -
Comments: Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP 19(5) (2017) 3544-3549
Space group: C 1 2 1
Cell volume: 516.4
Cell parameters: 14.126; 4.8218; 10.753; 90; 135.162; 90;

COD ID: 7227454

Formula: - C13 H15 F6 P Ru -
Comments: Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals. Physical chemistry chemical physics : PCCP 19(6) (2017) 4352-4359
Space group: P 21 21 21
Cell volume: 1421.9
Cell parameters: 8.7719; 12.685; 12.779; 90; 90; 90;

COD ID: 7227455

Formula: - C15 H11 N3 Ru -
Comments: Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals. Physical chemistry chemical physics : PCCP 19(6) (2017) 4352-4359
Space group: P 1 21/n 1
Cell volume: 2584.4
Cell parameters: 7.2375; 17.759; 20.303; 90; 97.97; 90;

COD ID: 7227481

Formula: - C83 H24 O2 -
Comments: Xue, Hong-Tao; Boschetto, Gabriele; Krompiec, Michal; Morse, Graham E.; Tang, Fu-Ling; Skylaris, Chris-Kriton Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates. Physical chemistry chemical physics : PCCP 19(7) (2017) 5617-5628
Space group: P 1 21/c 1
Cell volume: 4426.36
Cell parameters: 18.8302; 13.26542; 18.4305; 90; 105.958; 90;

COD ID: 7227530

Formula: - C49 H22 Co F15 N6 O2 -
Comments: Xu, Liang; Lei, Haitao; Zhang, Zongyao; Yao, Zhen; Li, Jianfeng; Yu, Zhiyong; Cao, Rui The effect of the trans axial ligand of cobalt corroles on water oxidation activity in neutral aqueous solutions. Physical chemistry chemical physics : PCCP 19(15) (2017) 9755-9761
Space group: C 1 2/c 1
Cell volume: 14282
Cell parameters: 30.225; 16.6117; 31.83; 90; 116.663; 90;

COD ID: 7227531
CIF file	Formula: - C34 H27 F2 N O2 Pt Si - Comments: Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook Steric effect on excimer formation in planar Pt(ii) complexes. Physical chemistry chemical physics : PCCP 19(7) (2017) 5486-5494 Space group: P -1 Cell volume: 1452 Cell parameters: 9.181; 9.435; 18.057; 97.901; 104.26; 102.17;

COD ID: 7227532
CIF file	Formula: - C16 H13 F2 N O2 Pt - Comments: Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook Steric effect on excimer formation in planar Pt(ii) complexes. Physical chemistry chemical physics : PCCP 19(7) (2017) 5486-5494 Space group: P 1 21/n 1 Cell volume: 1505.9 Cell parameters: 10.3177; 7.676; 19.0308; 90; 92.402; 90;

COD ID: 7227539

Formula: - C14 H12 B F2 N O2 -
Comments: Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys Two-photon absorption of BF2-carrying compounds: insights from theory and experiment. Physical chemistry chemical physics : PCCP 19(8) (2017) 5705-5708
Space group: P 1 21/c 1
Cell volume: 2474
Cell parameters: 15.2729; 6.9098; 23.4483; 90; 91.266; 90;

COD ID: 7227540

Formula: - C15 H15 B F2 N2 O -
Comments: Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys Two-photon absorption of BF2-carrying compounds: insights from theory and experiment. Physical chemistry chemical physics : PCCP 19(8) (2017) 5705-5708
Space group: P c a 21
Cell volume: 2743.1
Cell parameters: 31.155; 7.7105; 11.419; 90; 90; 90;

COD ID: 7227676

Formula: - C15 H13 Co N2 -
Comments: Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application. Physical chemistry chemical physics : PCCP 19(9) (2017) 6768-6776
Space group: P b c a
Cell volume: 9289.2
Cell parameters: 8.0533; 25.607; 45.045; 90; 90; 90;

COD ID: 7227709

Formula: - C18 H10 N4 -
Comments: Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials. Physical chemistry chemical physics : PCCP 19(9) (2017) 6721-6730
Space group: P 1 21/c 1
Cell volume: 1369.57
Cell parameters: 8.0644; 25.5256; 7.0058; 90; 108.253; 90;

COD ID: 7227710

Formula: - C19 H12 N4 O -
Comments: Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials. Physical chemistry chemical physics : PCCP 19(9) (2017) 6721-6730
Space group: P 1 21/n 1
Cell volume: 1540.9
Cell parameters: 6.8946; 16.799; 13.329; 90; 93.493; 90;

COD ID: 7227776

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30802.3
Cell parameters: 31.3469; 31.3469; 31.3469; 90; 90; 90;

COD ID: 7227777

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30673.4
Cell parameters: 31.3031; 31.3031; 31.3031; 90; 90; 90;

COD ID: 7227778

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30575
Cell parameters: 31.2695; 31.2695; 31.2695; 90; 90; 90;

COD ID: 7227779

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30482
Cell parameters: 31.238; 31.238; 31.238; 90; 90; 90;

COD ID: 7227780

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30439
Cell parameters: 31.223; 31.223; 31.223; 90; 90; 90;

COD ID: 7227781

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30310
Cell parameters: 31.179; 31.179; 31.179; 90; 90; 90;

COD ID: 7227782

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 29756
Cell parameters: 30.988; 30.988; 30.988; 90; 90; 90;

COD ID: 7227783

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 29699
Cell parameters: 30.968; 30.968; 30.968; 90; 90; 90;

COD ID: 7227784

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 29498
Cell parameters: 30.898; 30.898; 30.898; 90; 90; 90;

COD ID: 7227785

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: R 3 2
Cell volume: 46565
Cell parameters: 43.6764; 43.6764; 28.1864; 90; 90; 120;

COD ID: 7227786

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: R 3 2 :H
Cell volume: 45751
Cell parameters: 43.367; 43.367; 28.09; 90; 90; 120;

COD ID: 7227787

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: R 3 2 :H
Cell volume: 46284
Cell parameters: 43.643; 43.643; 28.059; 90; 90; 120;

COD ID: 7227788

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: R 3 2 :H
Cell volume: 45548
Cell parameters: 43.26; 43.26; 28.104; 90; 90; 120;

COD ID: 7227789

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30398
Cell parameters: 31.2093; 31.2093; 31.2093; 90; 90; 90;

COD ID: 7227790

Formula: - C48 H82 K2 O42 -
Comments: Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP 19(13) (2017) 9086-9091
Space group: I 4 3 2
Cell volume: 30398.5
Cell parameters: 31.2093; 31.2093; 31.2093; 90; 90; 90;

COD ID: 7227791

Formula: - C8 H7 N O S -
Comments: Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP 19(13) (2017) 8896-8901
Space group: P b c a
Cell volume: 1524.27
Cell parameters: 10.0478; 10.3511; 14.6556; 90; 90; 90;

COD ID: 7227792

Formula: - C8 H6 Br N S2 -
Comments: Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP 19(13) (2017) 8896-8901
Space group: P -1
Cell volume: 457.11
Cell parameters: 6.9208; 7.5423; 8.8756; 85.0711; 82.0272; 89.0243;

COD ID: 7227793

Formula: - C8 H7 N S2 -
Comments: Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP 19(13) (2017) 8896-8901
Space group: P 1 21/c 1
Cell volume: 802.61
Cell parameters: 7.025; 8.6002; 13.5237; 90; 100.788; 90;

COD ID: 7227794

Formula: - C8 H6 I N S2 -
Comments: Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP 19(13) (2017) 8896-8901
Space group: P 1 21/n 1
Cell volume: 953.48
Cell parameters: 7.3765; 18.9914; 7.7127; 90; 118.059; 90;

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