Crystallography Open Database

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Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 118

COD ID: 1513341
CIF file Formula: - C18 H43 Cl2 Ir P2 -
Comments: Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E. Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies. The journal of physical chemistry. A 118(7) (2014) 1203-1212
Space group: P 1 21/c 1
Cell volume: 1174.86
Cell parameters: 8.0646; 8.9616; 16.2738; 90; 92.672; 90;  

COD ID: 1513342
CIF file Formula: - C18 H43 Cl2 P2 Rh -
Comments: Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E. Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies. The journal of physical chemistry. A 118(7) (2014) 1203-1212
Space group: P 1 21/c 1
Cell volume: 1175.89
Cell parameters: 8.0734; 8.9633; 16.266; 90; 92.5754; 90;  

COD ID: 1513343
CIF file Formula: - C28 H21 F6 N S -
Comments: Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer. The journal of physical chemistry. A 118(6) (2014) 1084-1093
Space group: C 1 2 1
Cell volume: 4664.9
Cell parameters: 22.064; 10.5914; 22.751; 90; 118.669; 90;  

COD ID: 1513344
CIF file Formula: - C37 H46 N2 O2 -
Comments: Yamashita, Hiroaki; Abe, Jiro Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative. The journal of physical chemistry. A 118(8) (2014) 1430-1438
Space group: P -1
Cell volume: 1591.32
Cell parameters: 9.4723; 13.8209; 14.2201; 116.052; 97.4525; 101.172;  

COD ID: 1513345
CIF file Formula: - C39 H52 N2 O3 S -
Comments: Yamashita, Hiroaki; Abe, Jiro Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative. The journal of physical chemistry. A 118(8) (2014) 1430-1438
Space group: P -1
Cell volume: 1843.3
Cell parameters: 9.5672; 13.359; 15.03; 93.77; 105.796; 90.872;  

COD ID: 1513346
CIF file Formula: - C47 H32 Cl2 N4 -
Comments: Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers. The journal of physical chemistry. A 118(1) (2013) 134
Space group: P 1 21/n 1
Cell volume: 3574.2
Cell parameters: 9.3295; 21.719; 17.834; 90; 98.47; 90;  

COD ID: 1513347
CIF file Formula: - C48 H33 N5 -
Comments: Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers. The journal of physical chemistry. A 118(1) (2013) 134
Space group: P -1
Cell volume: 1784.1
Cell parameters: 9.512; 11.533; 16.99; 96.062; 94.541; 104.431;  

COD ID: 1513348
CIF file Formula: - C46 H30 N4 -
Comments: Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers. The journal of physical chemistry. A 118(1) (2013) 134
Space group: P 1 21/n 1
Cell volume: 3342
Cell parameters: 10.145; 25.68; 12.867; 90; 94.357; 90;  

COD ID: 1513349
CIF file Formula: - C46 H30 N4 -
Comments: Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers. The journal of physical chemistry. A 118(1) (2013) 134
Space group: P -1
Cell volume: 1648.7
Cell parameters: 9.72; 11.606; 15.241; 82.64; 87.985; 75.216;  

COD ID: 1514122
CIF file Formula: - C48 H38 N6 O5 -
Comments: Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures. The journal of physical chemistry. A 118(12) (2014) 2288-2297
Space group: P b c a
Cell volume: 7522
Cell parameters: 18.444; 15.948; 25.573; 90; 90; 90;  

COD ID: 1514123
CIF file Formula: - C38 H58 Fe P2 -
Comments: Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A 118(12) (2014) 2316-2331
Space group: P 1 21 1
Cell volume: 1729.46
Cell parameters: 13.1315; 9.8741; 13.7239; 90; 103.615; 90;  

COD ID: 1514124
CIF file Formula: - C38 H46 Fe P2 -
Comments: Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A 118(12) (2014) 2316-2331
Space group: P 1 21 1
Cell volume: 1621.64
Cell parameters: 13.2558; 9.2386; 13.4456; 90; 99.992; 90;  

COD ID: 1514125
CIF file Formula: - C39 H48 Cl2 Fe P2 -
Comments: Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A 118(12) (2014) 2316-2331
Space group: P b c a
Cell volume: 14051.3
Cell parameters: 13.4011; 21.5414; 48.6745; 90; 90; 90;  

COD ID: 1514126
CIF file Formula: - C38 H58 Fe P2 -
Comments: Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A 118(12) (2014) 2316-2331
Space group: P -1
Cell volume: 1670.91
Cell parameters: 11.9515; 12.1683; 14.2621; 110.684; 97.566; 114.389;  

COD ID: 1514181
CIF file Formula: - C120 H216 Au36 S24 -
Comments: Das, Anindita; Liu, Chong; Zeng, Chenjie; Li, Gao; Li, Tao; Rosi, Nathaniel L.; Jin, Rongchao Cyclopentanethiolato-Protected Au36(SC5H9)24 Nanocluster: Crystal Structure and Implications for the Steric and Electronic Effects of Ligand. The journal of physical chemistry. A 118(37) (2014) 8264-8269
Space group: P 1 21/n 1
Cell volume: 17678.5
Cell parameters: 18.5437; 29.3874; 32.6577; 90; 96.612; 90;  

COD ID: 1514182
CIF file Formula: - C8 H16 N2 O3 -
Comments: Altheimer, Benjamin D; Mehta, Manish A Effects of structural differences on the NMR chemical shifts in isostructural dipeptides. The journal of physical chemistry. A 118(14) (2014) 2618-2628
Space group: P 61
Cell volume: 1808.89
Cell parameters: 14.4465; 14.4465; 10.0082; 90; 90; 120;  

COD ID: 1514263
CIF file Formula: - C24 H12 N2 S2 -
Comments: Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties. The journal of physical chemistry. A 118(15) (2014) 7844
Space group: P -1
Cell volume: 956.9
Cell parameters: 8.569; 9.647; 13.03; 69.226; 72.615; 79.106;  

COD ID: 1514264
CIF file Formula: - C21 H12 O S2 -
Comments: Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties. The journal of physical chemistry. A 118(15) (2014) 7844
Space group: P 1 21/c 1
Cell volume: 1642.3
Cell parameters: 9.4678; 20.285; 9.5649; 90; 116.62; 90;  

COD ID: 1515993
CIF file Formula: - C29 H20 O -
Comments: Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N. Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones. The journal of physical chemistry. A 118(19) (2014) 3479-3489
Space group: I 1 2/a 1
Cell volume: 4004.78
Cell parameters: 24.2504; 8.1885; 21.5299; 90; 110.491; 90;  

COD ID: 1516624
CIF file Formula: - C55.22 H54.8 Cl3.65 N12 O6.79 -
Comments: Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids. The journal of physical chemistry. A 118(25) (2014) 4415-4424
Space group: P 1 21/c 1
Cell volume: 2988.13
Cell parameters: 12.0326; 13.7368; 18.1386; 90; 94.679; 90;  

COD ID: 1516625
CIF file Formula: - C64 H56 Cl6 N14 O4 -
Comments: Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids. The journal of physical chemistry. A 118(25) (2014) 4415-4424
Space group: P -1
Cell volume: 1553.09
Cell parameters: 8.1267; 12.3186; 15.8366; 93.4245; 100.543; 92.7206;  

COD ID: 1516626
CIF file Formula: - C36 H38 N8 -
Comments: Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids. The journal of physical chemistry. A 118(25) (2014) 4415-4424
Space group: P 1 21/n 1
Cell volume: 1477.41
Cell parameters: 15.3095; 5.0915; 20.1111; 90; 109.532; 90;  

COD ID: 1516702
CIF file Formula: - C16 H17 N O4 -
Comments: Mukhina, Olga A.; Cronk, W. Cole; Kumar, N. N. Bhuvan; Sekhar, M. Chandra; Samanta, Anunay; Kutateladze, Andrei G. Intramolecular cycloadditions of photogenerated azaxylylenes: an experimental and theoretical study. The journal of physical chemistry. A 118(45) (2014) 10487-10496
Space group: C 1 2/c 1
Cell volume: 2785.23
Cell parameters: 10.4651; 12.0555; 22.0874; 90; 91.79; 90;  

COD ID: 1517273
CIF file Formula: - C82.5 H63 Br3 Cl3 N9 Rh2 -
Comments: Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A 118(45) (2014) 10340-10352
Space group: I 4
Cell volume: 3856.3
Cell parameters: 14.7855; 14.7855; 17.6398; 90; 90; 90;  

COD ID: 1517274
CIF file Formula: - C88.5 H66.5 Br2 Cl7.5 N10 Rh2 -
Comments: Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A 118(45) (2014) 10340-10352
Space group: P -1
Cell volume: 4237.9
Cell parameters: 13.6685; 17.3026; 19.4769; 73.857; 74.732; 79.393;  

COD ID: 1517275
CIF file Formula: - C96 H84 Br2 N10 O5 Rh2 -
Comments: Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A 118(45) (2014) 10340-10352
Space group: P -1
Cell volume: 4344
Cell parameters: 13.0797; 14.1503; 25.3837; 88.073; 75.83; 72.655;  

COD ID: 1517276
CIF file Formula: - C96 H80 N12 O4 Rh2 -
Comments: Chartrand, Daniel; Hanan, Garry S. Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. The journal of physical chemistry. A 118(45) (2014) 10340-10352
Space group: F d d d :2
Cell volume: 16382
Cell parameters: 15.689; 30.833; 33.866; 90; 90; 90;  

COD ID: 1517657
CIF file Formula: - C23 H25 N O2 -
Comments: Iyer, Akila; Jockusch, Steffen; Sivaguru, J. Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation. The journal of physical chemistry. A 118(45) (2014) 10596-10602
Space group: P 1 21 1
Cell volume: 941.14
Cell parameters: 9.9249; 8.819; 11.1611; 90; 105.551; 90;  

COD ID: 1517658
CIF file Formula: - C23 H25 N O2 -
Comments: Iyer, Akila; Jockusch, Steffen; Sivaguru, J. Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation. The journal of physical chemistry. A 118(45) (2014) 10596-10602
Space group: P 1 21 1
Cell volume: 940.49
Cell parameters: 9.9205; 8.8195; 11.1609; 90; 105.611; 90;  

COD ID: 1517659
CIF file Formula: - C19 H17 N O2 -
Comments: Iyer, Akila; Jockusch, Steffen; Sivaguru, J. Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation. The journal of physical chemistry. A 118(45) (2014) 10596-10602
Space group: P 21 21 21
Cell volume: 1446.27
Cell parameters: 5.6485; 11.8378; 21.6295; 90; 90; 90;  

COD ID: 1517792
CIF file Formula: - C14 H16 F N O4 -
Comments: Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs. The journal of physical chemistry. A 118(40) (2014) 9540-9551
Space group: P -1
Cell volume: 680.15
Cell parameters: 8.7649; 8.7954; 9.0065; 90.566; 95.61; 100.043;  

COD ID: 1517793
CIF file Formula: - C12 H12 F N O2 -
Comments: Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs. The journal of physical chemistry. A 118(40) (2014) 9540-9551
Space group: P -1
Cell volume: 550.9
Cell parameters: 6.1162; 9.6371; 10.2412; 108.298; 98.083; 100.432;  

COD ID: 1517794
CIF file Formula: - C12 H12 F N O4 -
Comments: Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs. The journal of physical chemistry. A 118(40) (2014) 9540-9551
Space group: P -1
Cell volume: 575.01
Cell parameters: 7.1117; 7.1194; 12.015; 74.345; 85.823; 79.083;  

COD ID: 1517806
CIF file Formula: - C34 H46 Cl2 N10 O2 Pt -
Comments: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A 118(40) (2014) 9529-9539
Space group: P b c a
Cell volume: 3791
Cell parameters: 10.5253; 17.2681; 20.8581; 90; 90; 90;  

COD ID: 1517807
CIF file Formula: - C36 H50 Cl2 N10 O2 Pt -
Comments: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A 118(40) (2014) 9529-9539
Space group: P b c a
Cell volume: 3948.66
Cell parameters: 10.4214; 17.7041; 21.4018; 90; 90; 90;  

COD ID: 1517808
CIF file Formula: - C38 H54 Cl2 N10 O2 Pt -
Comments: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A 118(40) (2014) 9529-9539
Space group: P -1
Cell volume: 1015.21
Cell parameters: 10.03; 10.1874; 10.6219; 91.285; 106.122; 102.222;  

COD ID: 1517809
CIF file Formula: - C38 H50 Cl2 N10 O4 Pt -
Comments: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A 118(40) (2014) 9529-9539
Space group: P 1 21/c 1
Cell volume: 1983.6
Cell parameters: 8.8123; 21.8035; 10.7171; 90; 105.572; 90;  

COD ID: 1517810
CIF file Formula: - C40 H54 Cl2 N10 O4 Pt -
Comments: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A 118(40) (2014) 9529-9539
Space group: P b c a
Cell volume: 4267.01
Cell parameters: 10.7643; 17.784; 22.2899; 90; 90; 90;  

COD ID: 1517811
CIF file Formula: - C40 H54 Br2 N10 O2 Pt -
Comments: Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu Anionic halide···alcohol clusters in the solid state. The journal of physical chemistry. A 118(40) (2014) 9529-9539
Space group: P -1
Cell volume: 1028.84
Cell parameters: 8.947; 10.8626; 11.7344; 94.084; 109.329; 104.174;  

COD ID: 1517954
CIF file Formula: - C16 H31 Cs O14 U2 -
Comments: Vologzhanina, Anna V.; Savchenkov, Anton V.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Bushmarinov, Ivan S.; Pushkin, Denis V.; Serezhkina, Larisa B. Electronic Structure of Cesium Butyratouranylate(VI) as Derived from DFT-assisted Powder X-ray Diffraction Data. The journal of physical chemistry. A 118(41) (2014) 9745-9752
Space group: P 1 21/c 1
Cell volume: 2818.8
Cell parameters: 15.2874; 21.91635; 8.41473; 90; 88.9643; 90;  

COD ID: 1556096
CIF file Formula: - C17 H32 N2 O5 -
Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N. Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy. The journal of physical chemistry. A 118(40) (2014) 9568-9574
Space group: P 2 21 21
Cell volume: 2164.95
Cell parameters: 10.1695; 17.5711; 12.1157; 90; 90; 90;  

COD ID: 1556097
CIF file Formula: - C17 H32 N2 O5 -
Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N. Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy. The journal of physical chemistry. A 118(40) (2014) 9568-9574
Space group: P 1 21 1
Cell volume: 2070.8
Cell parameters: 9.8681; 17.5; 12.2922; 90; 102.706; 90;  


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