Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7245201 | CIF | C16 H12 F6 N2 O | P 1 21/c 1 | 11.1618; 12.3056; 11.4093 90; 97.225; 90 | 1554.65 | Storer, Maria Chiara; Hunter, Christopher A. Quantification of secondary electrostatic interactions in H-bonded complexes Physical Chemistry Chemical Physics, 2022 |
| 7245220 | CIF | C20 H29 N3 O5 | P 1 21 1 | 11.7946; 9.3562; 18.9259 90; 105.551; 90 | 2012.1 | Kumar, Satish; Borish, Kshetrimayum; Dey, Sanjit; Nagesh, Jayashree; Das, Aloke Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides Physical Chemistry Chemical Physics, 2022 |
| 7245225 | CIF | C22 H10 N6 | P 1 21/c 1 | 16.5206; 7.649; 14.4843 90; 91.55; 90 | 1829.65 | Wang, Jing; Xu, Shuping; Xue, Xiangxin; zhao, lina; Xu, Weiqing Tunable multiple light emissions of core-shell structures based on rare earth ions doped on the surfaces of organic cocrystals Physical Chemistry Chemical Physics, 2022 |
| 7245226 | CIF | C41 H30 I4 N4 O3 | P -1 | 9.4847; 9.8569; 23.787 91.327; 100.187; 114.405 | 1981.7 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245227 | CIF | C19 H13 I2 N O | P 1 c 1 | 9.7182; 8.0639; 11.5611 90; 107.391; 90 | 864.59 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245228 | CIF | C41.89 H35.78 I4 N4 O2.45 | P -1 | 9.5202; 10.0356; 23.9703 92.092; 100.214; 114.586 | 2033.89 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245229 | CIF | C20 H17 I2 N3 O | P -1 | 9.4579; 9.9193; 23.4761 90.91; 99.539; 114.954 | 1960.13 | Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S. Structure–property investigations in urea tethered iodinated triphenylamines Physical Chemistry Chemical Physics, 2022 |
| 7245377 | CIF | C13 H6 Cl4 O S | P 21 21 21 | 3.9858; 13.451; 25.545 90; 90; 90 | 1369.5 | Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives. Physical Chemistry Chemical Physics, 2022 |
| 7245378 | CIF | C13 H6 Cl4 O S | P 1 21/n 1 | 3.8532; 14.632; 24.278 90; 93.236; 90 | 1366.6 | Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives. Physical Chemistry Chemical Physics, 2022 |
| 7245380 | CIF | C58 H108 Si10 | P n n a | 18.1857; 30.4174; 12.6976 90; 90; 90 | 7023.8 | Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues Physical Chemistry Chemical Physics, 2022 |
| 7245381 | CIF | C58 H108 Ge2 Si8 | P n n a | 18.2272; 30.5096; 12.6275 90; 90; 90 | 7022.2 | Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues Physical Chemistry Chemical Physics, 2022 |
| 7245428 | CIF | C20 H13 N3 O S | P 1 21/n 1 | 15.8363; 5.1256; 20.636 90; 103.118; 90 | 1631.3 | Das, Sangita; Patra, Lakshman; Pratim Das, Partha; Ghoshal, Kakali; Gharami, Saswati; Walton, James W.; Bhattacharyya, Maitree; Mondal, Tapan Kumar A new ratiometric switch “two-way” detects hydrazine and hypochlorite via a “dye-release” mechanism with a PBMC bioimaging study Physical Chemistry Chemical Physics, 2022 |
| 7245605 | CIF | C4 H4 O5 | C 1 m 1 | 8.69237; 6.06857; 5.58397 90; 120.797; 90 | 253.02 | Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids Physical Chemistry Chemical Physics, 2022 |
| 7245674 | CIF | C34 H25 O P | P 1 21/c 1 | 16.0559; 6.2918; 24.2227 90; 92.717; 90 | 2444.24 | Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P. Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation Physical Chemistry Chemical Physics, 2022 |
| 7245675 | CIF | C34 H27 O P | P 1 21/c 1 | 11.6191; 5.9902; 35.856 90; 90.762; 90 | 2495.4 | Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P. Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation Physical Chemistry Chemical Physics, 2022 |
| 7248549 | CIF | C23 H22 I P | P 1 21/c 1 | 10.606; 18.313; 10.75 90; 106.717; 90 | 2000 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen Grayson; 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, 2024 |
| 7248550 | CIF | C23 H22 F6 P2 | P 1 21/c 1 | 11.1886; 17.4838; 11.8098 90; 107.462; 90 | 2203.8 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen Grayson; 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, 2024 |
| 7248595 | CIF | Cl5 K2 N O Ru | P n m a | 13.126; 10.3284; 6.8375 90; 90; 90 | 926.96 | Mikhailov, Artem A.; Gansmuller, Axel; Konieczny, Krzysztof; Pillet, Sebastien; 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, 2024 |
| 7248734 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6908; 5.7271; 27.006 90; 90.719; 90 | 1189.4 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248735 | CIF | C24 H20 N12 O6 | P 1 21/n 1 | 7.2224; 5.6283; 26.087 90; 94.048; 90 | 1057.8 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248736 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.1952; 5.6211; 26.01 90; 94.452; 90 | 1048.8 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248737 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.2334; 5.6302; 26.082 90; 94.001; 90 | 1059.6 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248738 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.1472; 5.611; 25.939 90; 94.766; 90 | 1036.6 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248739 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6129; 5.7121; 26.809 90; 90.448; 90 | 1165.8 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248740 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.0225; 5.5811; 25.7121 90; 95.797; 90 | 1002.59 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248741 | CIF | C24 H20 N12 O6 | P 1 21/n 1 | 7.6153; 5.7099; 26.8265 90; 90.275; 90 | 1166.5 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248742 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.9306; 5.7908; 27.809 90; 95.349; 90 | 1271.6 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248743 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.3848; 5.6634; 26.3751 90; 92.598; 90 | 1102 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248744 | CIF | C24 H20 N12 O6 | P 1 21/n 1 | 7.2747; 5.6382; 26.176 90; 93.556; 90 | 1071.6 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248745 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.4571; 5.6784; 26.508 90; 91.931; 90 | 1121.8 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248746 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.944; 5.7979; 27.874 90; 95.81; 90 | 1277.24 | Christopher, Imogen; 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 Tuning energetic properties through co-crystallisation – a high-pressure experimental and computational study of nitrotriazolone : 4,4’-bipyridine. Physical Chemistry Chemical Physics, 2024 |
| 7248757 | CIF | Si | P -3 m 1 | 9.93653882; 9.93653882; 15.99433626 90; 90; 120 | 1367.62 | Niu, Lujie; Zhang, Rui; Zhang, Qiang; Wang, Dong; Bi, Yanlei; Wen, Guangwu; Qin, Lu-Chang Carbon-coated silicon/graphite oxide composites as anode for highly stable lithium-ion batteries Physical Chemistry Chemical Physics, 2024 |
| 7248825 | CIF | C19 H7 F4 N O | P 1 21/n 1 | 6.9645; 13.1363; 14.5331 90; 93.668; 90 | 1326.88 | Deree, Yinon; Bogoslavsky, Benny; Schapiro, Igor; Gidron, Ori The Photochemistry and Photophysics of Benzoyl-Carbazole Physical Chemistry Chemical Physics, 2024 |
| 7248904 | CIF | C14 H8 Br N O3 | P 1 21/c 1 | 4.775; 11.0709; 22.9812 90; 95.654; 90 | 1208.96 | Bhakta, Viki; Guchhait, Nikhil Switching of Photoinduced Proton Transfer from One Six Member Hydrogen Bonded Ring to Other: A Molecule of Hydrazine and pH Sensor Physical Chemistry Chemical Physics, 2024 |
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