Crystallography Open Database

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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 26

COD ID: 7247651
CIF file Formula: - As2 Eu In2 -
Comments: Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L. Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>. Physical chemistry chemical physics : PCCP 26(11) (2024) 8695-8703
Space group: R -3 m :H
Cell volume: 404.98
Cell parameters: 4.2102; 4.2102; 26.3814; 90; 90; 120;  

COD ID: 7247854
CIF file Formula: - C216 H236 Ag55 Cu8 I12 P S24 -
Comments: Tang, Li; Han, Qikai; Wang, Bin; Yang, Zhonghua; Song, Chunyuan; Feng, Guanyu; Wang, Shuxin Constructing perfect cubic Ag-Cu alloyed nanoclusters through selective elimination of phosphine ligands. Physical chemistry chemical physics : PCCP 26(1) (2023) 62-66
Space group: C 1 2/m 1
Cell volume: 16398
Cell parameters: 37.341; 24.083; 22.341; 90; 125.295; 90;  

COD ID: 7247861
CIF file Formula: - C16 H21 O3 P -
Comments: Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP 26(3) (2024) 2016-2024
Space group: P 21 21 21
Cell volume: 3008.13
Cell parameters: 9.9495; 11.559; 26.1562; 90; 90; 90;  

COD ID: 7247862
CIF file Formula: - C16 H21 O3 P -
Comments: Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP 26(3) (2024) 2016-2024
Space group: P 1 21 1
Cell volume: 753.12
Cell parameters: 10.2826; 6.9016; 11.6832; 90; 114.723; 90;  

COD ID: 7247863
CIF file Formula: - C16 H21 O3 P -
Comments: Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP 26(3) (2024) 2016-2024
Space group: P 1 21 1
Cell volume: 753.65
Cell parameters: 10.2898; 6.902; 11.6872; 90; 114.772; 90;  

COD ID: 7247864
CIF file Formula: - C16 H21 O3 P -
Comments: Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach. Physical chemistry chemical physics : PCCP 26(3) (2024) 2016-2024
Space group: P 21 21 21
Cell volume: 3019.5
Cell parameters: 9.9615; 11.5646; 26.2104; 90; 90; 90;  

COD ID: 7247875
CIF file Formula: - C36 H22 B N S2 -
Comments: Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning. Physical chemistry chemical physics : PCCP 26(3) (2024) 2395-2401
Space group: P 1 21/c 1
Cell volume: 2617.7
Cell parameters: 9.1668; 13.6407; 20.9359; 90; 90.621; 90;  

COD ID: 7247876
CIF file Formula: - C36 H24 B N S2 -
Comments: Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning. Physical chemistry chemical physics : PCCP 26(3) (2024) 2395-2401
Space group: P -1
Cell volume: 2684
Cell parameters: 12.1328; 12.2744; 19.0272; 103.921; 97.005; 98.421;  

COD ID: 7247880
CIF file Formula: - C12 H40 Br8 Cu2 N6 O2 -
Comments: Gao, Yingui; Xu, Zhihuang; Ye, Liwang; Wang, Yuanjie; Zhuang, Xinxin A zero-dimensional hybrid copper(I) bromide single crystal with highly efficient green emission. Physical chemistry chemical physics : PCCP 26(3) (2024) 2472-2477
Space group: P 1 21/c 1
Cell volume: 1467.26
Cell parameters: 8.855; 11.8895; 14.0612; 90; 97.636; 90;  

COD ID: 7247881
CIF file Formula: - C32 H34 N4 O2 -
Comments: Konopkina, Ekaterina A.; Gopin, Alexander V.; Pozdeev, Anton S.; Chernysheva, Maria G.; Kalle, Paulina; Pavlova, Elizaveta A.; Kalmykov, Stepan N.; Petrov, Vladimir G.; Borisova, Nataliya E.; Guda, Alexander A.; Matveev, Petr I. Kinetic features of solvent extraction by N,O-donor ligands of f-elements: a comparative study of diamides based on 1,10-phenanthroline and 2,2'-bipyridine. Physical chemistry chemical physics : PCCP 26(3) (2024) 2548-2559
Space group: P 1 21/n 1
Cell volume: 1392.7
Cell parameters: 9.3987; 11.4649; 13.311; 90; 103.835; 90;  

COD ID: 7247882
CIF file Formula: - C10 H3.5 Cl0.5 N6.5 O18 -
Comments: Muromachi, Sanehiro; Takeya, Satoshi Guest size effects on a robust structure of semiclathrate hydrates and their thermophysical properties. Physical chemistry chemical physics : PCCP 26(4) (2024) 3315-3321
Space group: P -4
Cell volume: 6805.62
Cell parameters: 23.43538; 23.43538; 12.3915; 90; 90; 90;  

COD ID: 7247884
CIF file Formula: - C13 H30 Cl3 Cu N O6 -
Comments: Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics. Physical chemistry chemical physics : PCCP 26(9) (2024) 7269-7275
Space group: P -1
Cell volume: 1080.1
Cell parameters: 8.6456; 10.4456; 12.352; 82.605; 79.325; 82.289;  

COD ID: 7247885
CIF file Formula: - C13 H30 Cl3 Cu N O6 -
Comments: Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics. Physical chemistry chemical physics : PCCP 26(9) (2024) 7269-7275
Space group: P -1
Cell volume: 1051.91
Cell parameters: 8.5399; 10.3775; 12.2132; 82.772; 80.178; 82.737;  

COD ID: 7247917
CIF file Formula: - C5 H14 Br3 Cd N -
Comments: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP 26(5) (2024) 3974-3980
Space group: P 1 21/n 1
Cell volume: 1224.93
Cell parameters: 7.6486; 16.7161; 9.7365; 90; 100.265; 90;  

COD ID: 7247918
CIF file Formula: - C5 H14 Br3 Cd N -
Comments: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP 26(5) (2024) 3974-3980
Space group: P 1 21/n 1
Cell volume: 1176.06
Cell parameters: 7.5549; 16.4113; 9.6428; 90; 100.365; 90;  

COD ID: 7247919
CIF file Formula: - C5 H14 Br3 Cd N -
Comments: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP 26(5) (2024) 3974-3980
Space group: P 1 21/n 1
Cell volume: 1193.67
Cell parameters: 7.6022; 16.4869; 9.6894; 90; 100.61; 90;  

COD ID: 7247920
CIF file Formula: - C5 H14 Br3 Cd N -
Comments: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP 26(5) (2024) 3974-3980
Space group: P 1 21/n 1
Cell volume: 1206.82
Cell parameters: 7.624; 16.576; 9.7148; 90; 100.584; 90;  

COD ID: 7247921
CIF file Formula: - C5 H14 Br3 Cd N -
Comments: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP 26(5) (2024) 3974-3980
Space group: P 1 21/n 1
Cell volume: 1184.39
Cell parameters: 7.5782; 16.4426; 9.6674; 90; 100.513; 90;  

COD ID: 7247922
CIF file Formula: - C5 H14 Br3 Cd N -
Comments: Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds. Physical chemistry chemical physics : PCCP 26(5) (2024) 3974-3980
Space group: P 1 21/n 1
Cell volume: 1215.46
Cell parameters: 7.6369; 16.6462; 9.7245; 90; 100.518; 90;  

COD ID: 7247949
CIF file Formula: - C6 H8 Ag2 Br2 N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>. Physical chemistry chemical physics : PCCP 26(6) (2024) 5010-5019
Space group: P b c a
Cell volume: 2082.3
Cell parameters: 14.282; 22.011; 6.624; 90; 90; 90;  

COD ID: 7247950
CIF file Formula: - C6 H8 Ag2 Br2 N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>. Physical chemistry chemical physics : PCCP 26(6) (2024) 5010-5019
Space group: C 1 2/c 1
Cell volume: 2066.1
Cell parameters: 24.605; 6.2851; 14.305; 90; 110.938; 90;  

COD ID: 7247986
CIF file Formula: - C20 H10 O4 -
Comments: Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. Physical chemistry chemical physics : PCCP 26(5) (2024) 4474-4479
Space group: I 1 2/a 1
Cell volume: 2734.21
Cell parameters: 13.7163; 11.38; 18.1174; 90; 104.795; 90;  

COD ID: 7247987
CIF file Formula: - C20 H12 O8 S -
Comments: Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. Physical chemistry chemical physics : PCCP 26(5) (2024) 4474-4479
Space group: P -1
Cell volume: 821.05
Cell parameters: 8.175; 8.5487; 13.274; 71.637; 81.162; 68.995;  

COD ID: 7247988
CIF file Formula: - C42 H18 F6 O12 S2 -
Comments: Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. Physical chemistry chemical physics : PCCP 26(5) (2024) 4474-4479
Space group: P -1
Cell volume: 850.14
Cell parameters: 5.7811; 12.0613; 12.5328; 100.454; 90.274; 98.211;  

COD ID: 7248018
CIF file Formula: - C13 H22 Br2 N2 O4 -
Comments: Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP 26(6) (2024) 5195-5206
Space group: P 1 21/c 1
Cell volume: 3245.9
Cell parameters: 15.8307; 7.7891; 26.3237; 90; 90.248; 90;  

COD ID: 7248019
CIF file Formula: - C13 H22 Br2 N2 O7 -
Comments: Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP 26(6) (2024) 5195-5206
Space group: C 1 2/c 1
Cell volume: 1682.6
Cell parameters: 7.1669; 20.9465; 11.2346; 90; 93.934; 90;  

COD ID: 7248020
CIF file Formula: - C13 H22 Cl2 N2 O7 -
Comments: Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP 26(6) (2024) 5195-5206
Space group: C 1 2/c 1
Cell volume: 1651.58
Cell parameters: 7.1348; 20.956; 11.0766; 90; 94.251; 90;  

COD ID: 7248021
CIF file Formula: - C13 H21 I2 N2 O6 -
Comments: Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z. Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines. Physical chemistry chemical physics : PCCP 26(6) (2024) 5195-5206
Space group: P 1 21/c 1
Cell volume: 1748.21
Cell parameters: 13.6546; 8.6106; 15.3908; 90; 104.962; 90;  

COD ID: 7248029
CIF file Formula: - C41 H39 Cu I P3 -
Comments: Lamahewage, Sujeewa N. S.; Atterberry, Benjamin A.; Dorn, Rick W.; Gi, Eunbyeol; Kimball, Maxwell R.; Blümel, Janet; Vela, Javier; Rossini, Aaron J. Accelerated acquisition of wideline solid-state NMR spectra of spin 3/2 nuclei by frequency-stepped indirect detection experiments. Physical chemistry chemical physics : PCCP 26(6) (2024) 5081-5096
Space group: P n a 21
Cell volume: 3590.9
Cell parameters: 20.3125; 10.3043; 17.1562; 90; 90; 90;  

COD ID: 7248039
CIF file Formula: - C24 H34 O -
Comments: Alić, Jasna; Lončarić, Ivor; Etter, Martin; Rubčić, Mirta; Štefanić, Zoran; Šekutor, Marina; Užarević, Krunoslav; Stolar, Tomislav Direct <i>in situ</i> measurement of polymorphic transition temperatures under thermo-mechanochemical conditions. Physical chemistry chemical physics : PCCP 26(6) (2024) 4840-4844
Space group: P -1
Cell volume: 915.86
Cell parameters: 7.7886; 10.8558; 11.3845; 76.757; 84.981; 78.05;  

COD ID: 7248107
CIF file Formula: - C12 H6 Br4 N2 -
Comments: McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism. Physical chemistry chemical physics : PCCP 26(8) (2024) 6834-6843
Space group: C 1 2/c 1
Cell volume: 1457
Cell parameters: 15.64; 12.14; 8.31; 90; 112.61; 90;  

COD ID: 7248108
CIF file Formula: - C12 H6 Br4 N2 -
Comments: McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism. Physical chemistry chemical physics : PCCP 26(8) (2024) 6834-6843
Space group: P 1 21/c 1
Cell volume: 1329
Cell parameters: 11.13; 7.52; 16.82; 90; 109.223; 90;  

COD ID: 7248109
CIF file Formula: - C12 H6 Br4 N2 -
Comments: McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism. Physical chemistry chemical physics : PCCP 26(8) (2024) 6834-6843
Space group: P 1 21/c 1
Cell volume: 2788.4
Cell parameters: 23.3728; 8.6091; 14.1715; 90; 102.079; 90;  

COD ID: 7248142
CIF file Formula: - C85 H8 F24 O3 -
Comments: Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A. Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation. Physical chemistry chemical physics : PCCP 26(10) (2024) 8038-8042
Space group: P 1 21/c 1
Cell volume: 5346.8
Cell parameters: 11.2201; 22.3582; 21.7383; 90; 101.343; 90;  

COD ID: 7248143
CIF file Formula: - C84 H8 F24 O2.21 -
Comments: Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A. Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation. Physical chemistry chemical physics : PCCP 26(10) (2024) 8038-8042
Space group: P 1 21/c 1
Cell volume: 5207
Cell parameters: 20.2976; 18.2848; 14.2099; 90; 99.129; 90;  

COD ID: 7248201
CIF file Formula: - C24.5 H67 Si7 Yb -
Comments: Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP 26(11) (2024) 8734-8747
Space group: P 3 1 c
Cell volume: 1942.8
Cell parameters: 16.18; 16.18; 8.5692; 90; 90; 120;  

COD ID: 7248202
CIF file Formula: - C28 H59 O Si4 Yb -
Comments: Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP 26(11) (2024) 8734-8747
Space group: P -1
Cell volume: 3565
Cell parameters: 12.7256; 13.6737; 20.4896; 89.3522; 89.6376; 89.7839;  

COD ID: 7248203
CIF file Formula: - C35 H61 O2 Si2 Yb -
Comments: Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP 26(11) (2024) 8734-8747
Space group: P -1
Cell volume: 3763.59
Cell parameters: 12.6785; 14.3864; 22.0939; 106.806; 102.024; 90.3602;  

COD ID: 7248220
CIF file Formula: - C17.5 H38.5 N2 O5.25 -
Comments: Dobre, Ana; Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Kay, Christopher W. M.; Palumbo, Oriele; Roessler, Maxie M.; Welton, Tom Understanding the effects of targeted modifications on the 1 : 2 Choline And GEranate structure. Physical chemistry chemical physics : PCCP 26(11) (2024) 8858-8872
Space group: P n a 21
Cell volume: 2037.2
Cell parameters: 15.2287; 23.0298; 5.8087; 90; 90; 90;  

COD ID: 7248271
CIF file Formula: - C27 H19 B F2 N4 S -
Comments: Behera, Kanhu Charan; Mohanty, Roshnara; Ravikanth, Mangalampalli An α-benzithiazolyl 3-pyrrolyl BODIPY probe for ratiometric selective sensing of cyanide ions and bioimaging studies. Physical chemistry chemical physics : PCCP 26(7) (2024) 5868-5878
Space group: C 1 2/c 1
Cell volume: 4390.68
Cell parameters: 19.5653; 16.6631; 14.1015; 90; 107.245; 90;  

COD ID: 7248306
CIF file Formula: - C12 H16 O2 -
Comments: Dupont, Jennifer; Hartwig, Beppo; Le Barbu-Debus, Katia; Lepere, Valeria; Guillot, Regis; Suhm, Martin A.; Zehnacker, Anne Homochiral <i>vs.</i> heterochiral preference in chiral self-recognition of cyclic diols. Physical chemistry chemical physics : PCCP 26(14) (2024) 10610-10621
Space group: C 1 2 1
Cell volume: 1989.31
Cell parameters: 19.7972; 5.6454; 19.9238; 90; 116.7; 90;  

COD ID: 7248313
CIF file Formula: - C48 H96 O16 S4 -
Comments: Soto-Suárez, Fátima M; Rojo-Portillo, Tania; Huerta, Eduardo H.; Aguilera-Cruz, Alejandro; Tapia-Bárcenas, Alberto; Contreras-Cruz, David Atahualpa; Toscano, Rubén A; Quiróz-García, Beatriz; Rojas-Aguilar, Aaron; Cortés-Guzmán, Fernando; Bacsa, John; Ramírez-Gualito, Karla; Barquera-Lozada, José Enrique; Cuevas, Gabriel Stereoelectronic interactions are too weak to explain the molecular conformation in solid state of <i>cis</i>-2-<i>tert</i>-butyl-5-(<i>tert</i>-butylsulfonyl)-1,3-dioxane. Physical chemistry chemical physics : PCCP 26(13) (2024) 10021-10028
Space group: C 1 c 1
Cell volume: 1402.07
Cell parameters: 22.8417; 5.94667; 10.39189; 90; 96.6449; 90;  

COD ID: 7248361
CIF file Formula: - C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 -
Comments: Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP 26(15) (2024) 11611-11617
Space group: P 21 21 21
Cell volume: 2593.3
Cell parameters: 8.8226; 11.5942; 25.3522; 90; 90; 90;  

COD ID: 7248362
CIF file Formula: - C16 H14 B F2 N3 O S -
Comments: Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP 26(15) (2024) 11611-11617
Space group: P -1
Cell volume: 3121
Cell parameters: 7.9897; 11.3528; 34.408; 90; 89.989; 90;  

COD ID: 7248363
CIF file Formula: - C15 H11 B F2 N2 O2 S -
Comments: Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP 26(15) (2024) 11611-11617
Space group: P 1 21/n 1
Cell volume: 1442.9
Cell parameters: 7.157; 15.248; 13.6954; 90; 105.109; 90;  

COD ID: 7248379
CIF file Formula: - Br7 Cs Nb3 S -
Comments: Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP 26(15) (2024) 11789-11797
Space group: P 1 21/c 1
Cell volume: 1292.99
Cell parameters: 9.8515; 18.7974; 7.0544; 90; 98.203; 90;  

COD ID: 7248380
CIF file Formula: - Br7 Nb3 Rb S -
Comments: Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP 26(15) (2024) 11789-11797
Space group: P m c 21
Cell volume: 1273.8
Cell parameters: 7.0218; 9.8353; 18.445; 90; 90; 90;  

COD ID: 7248383
CIF file Formula: - C33 H15 N9 O3 -
Comments: Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices. Physical chemistry chemical physics : PCCP 26(15) (2024) 11922-11932
Space group: R -3 :H
Cell volume: 8736.7
Cell parameters: 23.8757; 23.8757; 17.6972; 90; 90; 120;  

COD ID: 7248421
CIF file Formula: - C12 H8 O4 -
Comments: Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP 26(17) (2024) 13489-13496
Space group: P b c a
Cell volume: 1915.17
Cell parameters: 10.9104; 11.1907; 15.6859; 90; 90; 90;  

COD ID: 7248422
CIF file Formula: - C20 H12 O4 -
Comments: Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP 26(17) (2024) 13489-13496
Space group: P 1 21/c 1
Cell volume: 1428.12
Cell parameters: 8.1365; 20.6845; 8.5612; 90; 97.619; 90;  

COD ID: 7248549
CIF file Formula: - C23 H22 I P -
Comments: Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach. Physical chemistry chemical physics : PCCP 26(19) (2024) 14448-14455
Space group: P 1 21/c 1
Cell volume: 2000
Cell parameters: 10.606; 18.313; 10.75; 90; 106.717; 90;  

COD ID: 7248550
CIF file Formula: - C23 H22 F6 P2 -
Comments: Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach. Physical chemistry chemical physics : PCCP 26(19) (2024) 14448-14455
Space group: P 1 21/c 1
Cell volume: 2203.8
Cell parameters: 11.1886; 17.4838; 11.8098; 90; 107.462; 90;  

COD ID: 7248575
CIF file Formula: - C18 H16 Br N O2 -
Comments: Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP 26(19) (2024) 14228-14243
Space group: P 1 21/c 1
Cell volume: 1556.92
Cell parameters: 17.6763; 11.7042; 7.5524; 90; 94.84; 90;  

COD ID: 7248576
CIF file Formula: - C19 H17 Br N2 O4 -
Comments: Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP 26(19) (2024) 14228-14243
Space group: P 1 21/c 1
Cell volume: 1783.1
Cell parameters: 12.445; 12.529; 11.461; 90; 93.804; 90;  

COD ID: 7248577
CIF file Formula: - C27 H29 Br N2 O4 -
Comments: Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP 26(19) (2024) 14228-14243
Space group: P 1 21/c 1
Cell volume: 2467.75
Cell parameters: 14.7636; 11.7049; 15.5223; 90; 113.075; 90;  

COD ID: 7248595
CIF file Formula: - Cl5 K2 N O Ru -
Comments: Mikhailov, Artem A.; Gansmüller, Axel; Konieczny, Krzysztof A.; Pillet, Sébastien; Kostin, Gennadiy; Klüfers, Peter; Woike, Theo; Schaniel, Dominik Local force constants and charges of the nitrosyl ligand in photoinduced NO linkage isomers in a prototypical ruthenium nitrosyl complex. Physical chemistry chemical physics : PCCP 26(21) (2024) 15255-15267
Space group: P n m a
Cell volume: 926.96
Cell parameters: 13.126; 10.3284; 6.8375; 90; 90; 90;  

COD ID: 7248667
CIF file Formula: - C156 H168 F9 N12 O15 S3 Yb -
Comments: Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes. Physical chemistry chemical physics : PCCP 26(21) (2024) 15776-15783
Space group: P 21 21 21
Cell volume: 18738
Cell parameters: 22.181; 26.777; 31.548; 90; 90; 90;  

COD ID: 7248668
CIF file Formula: - C156 H168 F9 N12 O15 S3 Yb -
Comments: Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes. Physical chemistry chemical physics : PCCP 26(21) (2024) 15776-15783
Space group: P 21 21 21
Cell volume: 18758
Cell parameters: 22.207; 26.8; 31.519; 90; 90; 90;  

COD ID: 7248733
CIF file Formula: - C37 H45 N6 O8.5 S3 -
Comments: Oka, Yoshimi; Inoue, Katsuya Time-resolved EPR observation of blue-light-induced radical ion pairs in a flavin-Trp dyad. Physical chemistry chemical physics : PCCP 26(23) (2024) 16444-16448
Space group: P 1
Cell volume: 1988.62
Cell parameters: 11.5061; 13.0272; 14.0938; 72.4941; 84.3059; 81.3692;  

COD ID: 7248734
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1189.4
Cell parameters: 7.6908; 5.7271; 27.006; 90; 90.719; 90;  

COD ID: 7248735
CIF file Formula: - C24 H20 N12 O6 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1057.8
Cell parameters: 7.2224; 5.6283; 26.087; 90; 94.048; 90;  

COD ID: 7248736
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1048.8
Cell parameters: 7.1952; 5.6211; 26.01; 90; 94.452; 90;  

COD ID: 7248737
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1059.6
Cell parameters: 7.2334; 5.6302; 26.082; 90; 94.001; 90;  

COD ID: 7248738
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1036.6
Cell parameters: 7.1472; 5.611; 25.939; 90; 94.766; 90;  

COD ID: 7248739
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1165.8
Cell parameters: 7.6129; 5.7121; 26.809; 90; 90.448; 90;  

COD ID: 7248740
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1002.59
Cell parameters: 7.0225; 5.5811; 25.7121; 90; 95.797; 90;  

COD ID: 7248741
CIF file Formula: - C24 H20 N12 O6 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1166.5
Cell parameters: 7.6153; 5.7099; 26.8265; 90; 90.275; 90;  

COD ID: 7248742
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1271.6
Cell parameters: 7.9306; 5.7908; 27.809; 90; 95.349; 90;  

COD ID: 7248743
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1102
Cell parameters: 7.3848; 5.6634; 26.3751; 90; 92.598; 90;  

COD ID: 7248744
CIF file Formula: - C24 H20 N12 O6 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1071.6
Cell parameters: 7.2747; 5.6382; 26.176; 90; 93.556; 90;  

COD ID: 7248745
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1121.8
Cell parameters: 7.4571; 5.6784; 26.508; 90; 91.931; 90;  

COD ID: 7248746
CIF file Formula: - C12 H10 N6 O3 -
Comments: Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP 26(23) (2024) 16859-16870
Space group: P 1 21/n 1
Cell volume: 1277.24
Cell parameters: 7.944; 5.7979; 27.874; 90; 95.81; 90;  

COD ID: 7248757
CIF file Formula: - Si -
Comments: Niu, Lujie; Zhang, Rui; Zhang, Qiang; Wang, Dong; Bi, Yanlei; Wen, Guangwu; Qin, Lu-Chang Carbon-coated silicon/graphite oxide composites as anode materials for highly stable lithium-ion batteries. Physical chemistry chemical physics : PCCP 26(24) (2024) 17292-17302
Space group: P -3 m 1
Cell volume: 1367.62
Cell parameters: 9.93653882; 9.93653882; 15.99433626; 90; 90; 120;  

COD ID: 7248825
CIF file Formula: - C19 H7 F4 N O -
Comments: Deree, Yinon; Bogoslavsky, Benny; Schapiro, Igor; Gidron, Ori The photochemistry and photophysics of benzoyl-carbazole. Physical chemistry chemical physics : PCCP 26(26) (2024) 18048-18053
Space group: P 1 21/n 1
Cell volume: 1326.88
Cell parameters: 6.9645; 13.1363; 14.5331; 90; 93.668; 90;  

COD ID: 7248904
CIF file Formula: - C14 H8 Br N O3 -
Comments: Bhakta, Viki; Guchhait, Nikhil Switching of photoinduced proton transfer from one six-membered hydrogen-bonded ring to other: a molecule of hydrazine and pH sensor. Physical chemistry chemical physics : PCCP 26(28) (2024) 19290-19301
Space group: P 1 21/c 1
Cell volume: 1208.96
Cell parameters: 4.775; 11.0709; 22.9812; 90; 95.654; 90;  

COD ID: 7248990
CIF file Formula: - C20 H20 Cu2 I2 N2 O2 -
Comments: Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E. A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd). Physical chemistry chemical physics : PCCP 26(30) (2024) 20576-20584
Space group: I 1 2 1
Cell volume: 2123.88
Cell parameters: 8.6998; 13.2495; 18.6513; 90; 98.923; 90;  

COD ID: 7248991
CIF file Formula: - C6 Au3 Cd K N6 -
Comments: Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E. A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd). Physical chemistry chemical physics : PCCP 26(30) (2024) 20576-20584
Space group: P 3 1 2
Cell volume: 335.19
Cell parameters: 6.8645; 6.8645; 8.2138; 90; 90; 120;  

COD ID: 7249042
CIF file Formula: - C56 H54 N4 O2 S -
Comments: Polesiak, Emilia; Makowska-Janusik, Malgorzata; Drapala, Jakub; Zagorska, Malgorzata; Banasiewicz, Marzena; Kozankiewicz, Boleslaw; Kulszewicz-Bajer, Irena; Pron, Adam Photophysical and redox properties of new donor-acceptor-donor (DAD) compounds containing benzothiadiazole (A) and dimethyldihydroacridine (D) units: a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP 26(30) (2024) 20690-20700
Space group: P -1
Cell volume: 2192.03
Cell parameters: 12.2872; 12.8272; 15.3688; 96.23; 91.199; 114.121;  


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