Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7061235 | CIF | C83 H82 N12 O2 Pd3 S4 | P -1 | 11.166; 13.242; 14.462 74; 74.57; 81.37 | 1974.6 | Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P. Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)] New Journal of Chemistry, 2022, 46, 2722-2729 |
| 7061236 | CIF | Ba4 Bi3 Na O12 | P -1 | 8.5415; 8.5421; 8.5441 89.996; 89.995; 90.016 | 623.4 | Hossain, Khandaker Monower; Saiduzzaman, Md; Kumada, Nobuhiro; Takei, Takahiro; Yamane, Hisanori Hydrothermal synthesis and crystal structure of a novel double-perovskite-type bismuth oxide with 3 : 1 ordering at the B-site New Journal of Chemistry, 2022, 46, 3595-3601 |
| 7061237 | CIF | C45 H43 Au2 Cl4 N9 P2 Zn | P -1 | 11.5397; 14.4235; 15.6048 70.951; 79.619; 87.626 | 2414.47 | Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands New Journal of Chemistry, 2022, 46, 4062-4071 |
| 7061238 | CIF | C23 H21 Au Cl N4 P | P -1 | 10.6195; 12.3785; 18.7756 108.768; 103.715; 92.291 | 2252.05 | Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands New Journal of Chemistry, 2022, 46, 4062-4071 |
| 7061239 | CIF | C50 H40 Cl2 N4 O2 P2 Ru S | P 1 21/n 1 | 12.1017; 13.8083; 27.2988 90; 101.929; 90 | 4463.2 | Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O. Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones New Journal of Chemistry, 2022, 46, 3146-3155 |
| 7061240 | CIF | C16 H10 Cl2 N5 O3 Ru S | P 1 21/n 1 | 8.7777; 10.4016; 20.9559 90; 97.071; 90 | 1898.8 | Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O. Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones New Journal of Chemistry, 2022, 46, 3146-3155 |
| 7061241 | CIF | C49 H37 Cl N4 O2 P2 Ru S | P 1 21/c 1 | 21.3269; 12.2526; 37.414 90; 97.809; 90 | 9686 | Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O. Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones New Journal of Chemistry, 2022, 46, 3146-3155 |
| 7061242 | CIF | C17 H11 F5 O2 | P 1 21/c 1 | 8.9965; 7.9831; 21.596 90; 94.474; 90 | 1546.3 | Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry, 2022, 46, 3392-3400 |
| 7061243 | CIF | C23 H15 F5 O2 | P -1 | 8.9679; 9.2898; 11.8018 88.321; 83.008; 84.421 | 971.12 | Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry, 2022, 46, 3392-3400 |
| 7061244 | CIF | C18 H13 F5 O2 | P -1 | 7.5715; 10.6727; 11.9855 65.696; 71.888; 76.943 | 833.57 | Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry, 2022, 46, 3392-3400 |
| 7061245 | CIF | C19 H11 F4 N O2 | P 1 21/n 1 | 6.1206; 22.0913; 11.8054 90; 97.582; 90 | 1582.28 | Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry, 2022, 46, 3392-3400 |
| 7061246 | CIF | C21 H19 N O4 S | P -1 | 9.274; 9.9087; 11.313 99.48; 102.576; 112.887 | 898.1 | Rodríguez, M. R.; Espino, G. A.; Piro, O. E.; Echeverría, G. A.; Parajón-Costa, B. S.; González-Baró, A. C. The crystal structure and characterization of a co-product in the synthesis of a Schiff base give evidence of its zwitterionic nature in the solid state New Journal of Chemistry, 2022, 46, 3130-3139 |
| 7061247 | CIF | C35 H25 Cl2 I N2 O | P -1 | 11.086; 11.54; 12.936 113.666; 91.973; 94.252 | 1507.8 | Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones New Journal of Chemistry, 2022, 46, 2952-2961 |
| 7061248 | CIF | C43.5 H34 Br Cl N2 O | P 1 21/n 1 | 13.7423; 18.5947; 15.441 90; 108.153; 90 | 3749.3 | Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones New Journal of Chemistry, 2022, 46, 2952-2961 |
| 7061249 | CIF | C40 H34 N4 O P2 Pd S | P 1 21/c 1 | 10.087; 19.325; 18.562 90; 93.06; 90 | 3613.2 | Goudarzi, Atousa; Ghassemzadeh, Mitra; Saeidifar, Maryam; Aghapoor, Kioumars; Mohsenzadeh, Farshid; Neumüller, Bernhard In vitro cytotoxicity and antibacterial activity of [Pd(AMTTO)(PPh3)2]: a novel promising palladium(ii) complex New Journal of Chemistry, 2022 |
| 7061250 | CIF | C18 H21 In N6 Se3 | P b c a | 14.9248; 14.988; 22.0289 90; 90; 90 | 4927.71 | Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Wadawale, A. P.; Kedarnath, G.; Kumar, N. Naveen; Bahadur, Jitendra Synthesis of photo-responsive indium selenides (InSe and In2Se3) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(iii) as a molecular precursor New Journal of Chemistry, 2022, 46, 3871-3881 |
| 7061251 | CIF | C19 H11 Cl F N O S | P 1 21/n 1 | 11.9876; 10.8264; 13.1607 90; 108.645; 90 | 1618.4 | Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles New Journal of Chemistry, 2022, 46, 4134-4141 |
| 7061252 | CIF | C24 H16 Cl F N2 O | C 1 2/c 1 | 27.2572; 10.8688; 13.4118 90; 109.945; 90 | 3735 | Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles New Journal of Chemistry, 2022, 46, 4134-4141 |
| 7061253 | CIF | C19 H12 Cl N O S | P -1 | 7.3208; 9.0728; 12.5495 73.212; 81.338; 73.194 | 761.88 | Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles New Journal of Chemistry, 2022, 46, 4134-4141 |
| 7061254 | CIF | C38 H60 N6 O4 Ru | R -3 :H | 25.887; 25.887; 15.915 90; 90; 120 | 9236 | Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry, 2022, 46, 3978-3984 |
| 7061255 | CIF | C103 H116 F18 Fe2 N6 O P7 Ru | P 1 21/n 1 | 13.0216; 32.214; 27.028 90; 98.184; 90 | 11222 | Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry, 2022, 46, 3978-3984 |
| 7061256 | CIF | C104 H118 Cl8 F12 Fe2 N6 P6 Ru | P 1 21/c 1 | 13.838; 30.951; 25.87 90; 96.1; 90 | 11017 | Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry, 2022, 46, 3978-3984 |
| 7061257 | CIF | C117 H140 F24 Fe2 N10 O3 P8 Ru | P b c a | 28.53; 26.984; 34.406 90; 90; 90 | 26488 | Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry, 2022, 46, 3978-3984 |
| 7061258 | CIF | C22 H27 N O3 S | C 1 2/c 1 | 17.5164; 10.53615; 23.073 90; 111.647; 90 | 3957.93 | Xing, Siyang; Wang, Chenyu; Gao, Tingxuan; Wang, Yuhan; Wang, Hongzheng; Wang, Hanfei; Wang, Kui; Zhu, Bolin Construction of 4-spiroannulated tetrahydroisoquinoline skeletons via a sequential ring opening of aziridines and Pictet–Spengler reaction New Journal of Chemistry, 2022, 46, 2553-2558 |
| 7061259 | CIF | C11 H10 Cl0 N O S0.11 | P 1 21/c 1 | 11.8021; 14.8362; 11.906 90; 95.792; 90 | 2074.08 | Xing, Siyang; Wang, Chenyu; Gao, Tingxuan; Wang, Yuhan; Wang, Hongzheng; Wang, Hanfei; Wang, Kui; Zhu, Bolin Construction of 4-spiroannulated tetrahydroisoquinoline skeletons via a sequential ring opening of aziridines and Pictet–Spengler reaction New Journal of Chemistry, 2022, 46, 2553-2558 |
| 7061260 | CIF | C18 H18 N2 Ni O3 | P 1 21/c 1 | 7.7952; 18.669; 10.9834 90; 94.348; 90 | 1593.8 | Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties New Journal of Chemistry, 2022, 46, 4363-4372 |
| 7061261 | CIF | C42 H56 N4 Ni4 O14 | P 1 21/c 1 | 14.9223; 9.1624; 19.522 90; 98.265; 90 | 2641.41 | Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties New Journal of Chemistry, 2022, 46, 4363-4372 |
| 7061262 | CIF | C56.4 H58.81 N10 Ni6 O16 | P 1 21/c 1 | 28.199; 15.467; 17.513 90; 99.674; 90 | 7529.7 | Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties New Journal of Chemistry, 2022, 46, 4363-4372 |
| 7061263 | CIF | C26 H28 N2 O2 S | P n c a | 7.7834; 76.7442; 11.2014 90; 90; 90 | 6690.9 | Miranda-Olvera, Montserrat; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; del Pilar Carreón-Castro, María Design and synthesis of benzothiadiazole-based molecular systems: self-assembly, optical and electronic properties New Journal of Chemistry, 2022, 46, 4992-5001 |
| 7061264 | CIF | C32 H20 B F2 N5 O4 | P 1 21/c 1 | 12.209; 13.821; 17.299 90; 109.65; 90 | 2749 | Zarcone, Samuel R.; Yarbrough, Hana J.; Neal, Martin J.; Kelly, Jordan C.; Kaczynski, Katie L.; Bloomfield, Aaron J.; Bowers, Geoffrey M.; Montgomery, Thomas D.; Chase, Daniel T. Synthesis and photophysical properties of nitrated aza-BODIPYs New Journal of Chemistry, 2022, 46, 4483-4496 |
| 7061265 | CIF | C20 H26 Fe N2 O | P 21 21 21 | 7.543; 8.7848; 27.6566 90; 90; 90 | 1832.63 | Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation New Journal of Chemistry, 2022, 46, 3948-3960 |
| 7061266 | CIF | C28 H36 Fe N2 O3 | P 21 21 21 | 10.2197; 10.3087; 25.1548 90; 90; 90 | 2650.1 | Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation New Journal of Chemistry, 2022, 46, 3948-3960 |
| 7061267 | CIF | Cu H6 O7 S | C 1 c 1 | 5.5708; 12.9751; 7.3754 90; 96.45; 90 | 529.73 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 7061268 | CIF | Cu H2 O5 S | P -1 | 5.0281; 5.1502; 7.5607 108.592; 108.382; 91.359 | 174.41 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 7061269 | CIF | Cu O4 S | P n m a | 8.3958; 6.676; 4.827 90; 90; 90 | 270.56 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 7061270 | CIF | Cu H10 O9 S | P -1 | 5.9676; 6.0957; 10.6366 77.224; 82.387; 72.434 | 358.85 | Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry, 2022, 46, 5479-5488 |
| 7061271 | CIF | C21 H21 Cl2 Fe N5 O5.5 | P -1 | 9.6244; 10.9915; 12.4372 70.037; 71.256; 81.851 | 1170.29 | Sun, Xia-Xing; Du, Juan; Tan, Jie-Jie; Zhan, Shu-Zhong A mono-oxo-bridged binuclear iron(iii) complex with a Fe–O–Fe angle of 180.0° and its catalytic activity for hydrogen evolution New Journal of Chemistry, 2022, 46, 3794-3799 |
| 7061272 | CIF | C28 H22 N4 S2 | P 21 21 21 | 12.8; 13.044; 28.611 90; 90; 90 | 4777 | Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur New Journal of Chemistry, 2022, 46, 4784-4791 |
| 7061273 | CIF | C26 H18 N4 S | P 1 21/n 1 | 11.9878; 13.8358; 12.521 90; 101.924; 90 | 2031.9 | Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur New Journal of Chemistry, 2022, 46, 4784-4791 |
| 7061274 | CIF | C71 H87 Co3 N9 O23 | C 1 2/c 1 | 26.608; 10.5511; 29.4 90; 115.862; 90 | 7427 | Zhou, Tao; Qian, Jianlei; Lu, Xin; Xu, Heng; Chen, Lei; Zhang, Chuanlei Metal–organic framework based on flexible ligands and CoII–CoII–CoII system: selective gas adsorption and magnetic properties New Journal of Chemistry, 2022, 46, 4307-4313 |
| 7061275 | CIF | C14 H28 Al N5 O16 S2 | P -1 | 9.6791; 10.859; 13.678 98.38; 110.301; 98.772 | 1301.6 | Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations New Journal of Chemistry, 2022, 46, 5002-5011 |
| 7061276 | CIF | C28 H30 Fe N10 O18 S4 | C 1 2/m 1 | 26.4924; 6.791; 14.9191 90; 113.212; 90 | 2466.8 | Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations New Journal of Chemistry, 2022, 46, 5002-5011 |
| 7061277 | CIF | C32 H44 Cu3 N14 O18 S4 | P -1 | 6.8652; 17.5151; 20.2578 74.458; 89.112; 85.783 | 2340.4 | Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations New Journal of Chemistry, 2022, 46, 5002-5011 |
| 7061278 | CIF | C20 H30 Cd2 N4 O15 | P b c n | 12.0648; 17.3104; 13.4411 90; 90; 90 | 2807.13 | Zhang, Hongbi; Liu, Xueguang; Shao, Yongliang; Liu, Wei; Liu, Weisheng Study on the synthesis and host–guest luminescence properties of a novel Cd(ii)-picolinate coordination polymer New Journal of Chemistry, 2022, 46, 4257-4261 |
| 7061279 | CIF | C40 H46 P2 Se2 | P -1 | 7.587; 13.5053; 17.4716 96.951; 94.373; 98.603 | 1748.93 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061280 | CIF | C22 H27 O2 P Se | P 1 21/c 1 | 7.4669; 17.7087; 15.2071 90; 90.347; 90 | 2010.78 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061281 | CIF | C51 H64 Cl O7 P2 Rh | P -1 | 12.133; 12.3022; 16.7869 81.197; 87.715; 72.921 | 2366.91 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061282 | CIF | C48 H58 Cl6 O6 P2 Rh2 | P 1 21/c 1 | 14.8441; 16.2144; 21.0762 90; 100.122; 90 | 4993.84 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061283 | CIF | C40 H54 B0.25 P2 Se2 | P 1 21/c 1 | 15.8601; 17.0706; 14.009 90; 91.786; 90 | 3790.97 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061284 | CIF | C43 H50 Cl5 O P2 Rh | P b c a | 17.9319; 17.9552; 26.0142 90; 90; 90 | 8375.81 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061285 | CIF | C10.4 H14 O0.8 P0.4 Se0.4 | P n a 21 | 17.57166; 14.50525; 9.46339 90; 90; 90 | 2412.04 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061286 | CIF | C24 H31 P Se | C 1 2/c 1 | 18.17426; 26.26593; 8.98086 90; 91.2638; 90 | 4286.09 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061287 | CIF | C22 H25 O3 P Se | P 1 21/n 1 | 9.6787; 13.3868; 16.7162 90; 103.355; 90 | 2107.29 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061288 | CIF | C53 H70 Cl O5 P2 Rh | P -1 | 12.087; 14.5363; 15.7989 63.576; 86.782; 84.952 | 2475.77 | Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry, 2022, 46, 4677-4686 |
| 7061289 | CIF | C59 H41 K N4 O12 Zn2 | C 1 2/c 1 | 13.347; 22.155; 25.424 90; 99.205; 90 | 7421 | Jin, J. C.; Liu, X. Y.; Yang, G. P.; Hou, L.; Wang, Y. Y. A microporous anionic metal–organic framework for aqueous encapsulation and highly reversible sensitization of light-emitting Tb3+ ions New Journal of Chemistry, 2022, 46, 5201-5205 |
| 7061290 | CIF | C28 H34 N8 O11 Zn2 | C 1 2/c 1 | 18.0928; 12.8348; 15.5435 90; 112.282; 90 | 3339.95 | Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K. Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies New Journal of Chemistry, 2022, 46, 5296-5311 |
| 7061291 | CIF | C16 H14 Mn N4 O6 | P -1 | 8.1469; 9.2011; 12.4602 91.826; 94.303; 104.442 | 900.72 | Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K. Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies New Journal of Chemistry, 2022, 46, 5296-5311 |
| 7061292 | CIF | C102 H85 N11 O20 S4 Zn6 | C 1 2/c 1 | 41.3959; 10.3962; 26.5419 90; 121.695; 90 | 9719 | Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiang-Jun Acetonitrile-induced structure fine-tuning of a trinuclear zinc complex showing multistimuli responsive luminescence New Journal of Chemistry, 2022, 46, 4800-4805 |
| 7061293 | CIF | C48 H38 N4 O10 S2 Zn3 | P 1 2/c 1 | 8.8054; 9.7676; 26.3853 90; 90.928; 90 | 2269.04 | Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiang-Jun Acetonitrile-induced structure fine-tuning of a trinuclear zinc complex showing multistimuli responsive luminescence New Journal of Chemistry, 2022, 46, 4800-4805 |
| 7061294 | CIF | C13 H12 N2 O | P n a 21 | 12.5535; 12.2303; 7.2491 90; 90; 90 | 1112.98 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061295 | CIF | C13 H12 N2 O | P n a 21 | 12.5855; 12.2723; 7.3106 90; 90; 90 | 1129.14 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061296 | CIF | C12.89 H11.67 N2 O0.88 | P n a 21 | 12.447; 12.3034; 7.4227 90; 90; 90 | 1136.72 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061297 | CIF | C12.87 H11.61 N2 O0.88 | P n a 21 | 12.4276; 12.2735; 7.3763 90; 90; 90 | 1125.11 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061298 | CIF | C13 H12 N2 O | P n a 21 | 12.5682; 12.2501; 7.2778 90; 90; 90 | 1120.5 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061299 | CIF | C13 H12 N2 O | P n a 21 | 12.61; 12.3302; 7.3919 90; 90; 90 | 1149.32 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061300 | CIF | C12.86 H11.57 N2 O0.87 | P n a 21 | 12.4062; 12.2515; 7.3365 90; 90; 90 | 1115.11 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061301 | CIF | C12.9 H11.7 N2 O0.88 | P n a 21 | 12.4634; 12.3362; 7.4618 90; 90; 90 | 1147.26 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061302 | CIF | C13 H12 N2 O | P n a 21 | 12.6139; 12.3565; 7.4286 90; 90; 90 | 1157.85 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061303 | CIF | C12.84 H11.53 N2 O0.87 | P n a 21 | 12.3562; 12.219; 7.2704 90; 90; 90 | 1097.69 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061304 | CIF | C12.85 H11.53 N2 O0.87 | P n a 21 | 12.3815; 12.2324; 7.3018 90; 90; 90 | 1105.9 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061305 | CIF | C13 H12 N2 O | P n a 21 | 12.6025; 12.2998; 7.3502 90; 90; 90 | 1139.34 | Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry, 2022, 46, 4057-4061 |
| 7061306 | CIF | C26 H18 Co N4 O3 | P 31 2 1 | 13.3668; 13.3668; 20.7353 90; 90; 120 | 3208.5 | Raj, Manaswini; Padhi, Sumanta Kumar Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte New Journal of Chemistry, 2022, 46, 6027-6038 |
| 7061307 | CIF | C54 H49.5 Co2 N8 O10.75 | P 1 21/n 1 | 12.963; 15.6404; 25.9135 90; 101.41; 90 | 5150 | Raj, Manaswini; Padhi, Sumanta Kumar Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte New Journal of Chemistry, 2022, 46, 6027-6038 |
| 7061308 | CIF | C12 H12 O2 | P 1 21/c 1 | 14.3203; 11.9892; 11.4344 90; 97.938; 90 | 1944.3 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061309 | CIF | C31 H30 O5 | P -1 | 8.0204; 9.7166; 16.0604 83.198; 89.949; 82.176 | 1231.08 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061310 | CIF | C16 H14 O2 | P b c a | 7.7629; 17.002; 17.7065 90; 90; 90 | 2336.99 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061311 | CIF | C10 H10.4 O2 | P -1 | 9.1365; 10.0584; 13.1688 101.064; 106.529; 104.988 | 1073.67 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061312 | CIF | C17 H16 O4 | C 1 2/c 1 | 17.361; 10.1907; 15.3314 90; 100.301; 90 | 2668.7 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061313 | CIF | C25 H24 Br O6 | P -1 | 9.1036; 9.9813; 14.0392 101.354; 107.907; 101.361 | 1143.89 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061314 | CIF | C32 H24 O8 | C 1 2/c 1 | 20.0353; 7.8785; 31.1858 90; 97.267; 90 | 4883.1 | Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry, 2022, 46, 5460-5463 |
| 7061315 | CIF | C21 H15 Cl4 Cu N O3 | I 41 | 15.311; 15.311; 18.692 90; 90; 90 | 4382 | Kumar, Sunil; Choudhary, Mukesh Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease New Journal of Chemistry, 2022, 46, 4911-4926 |
| 7061316 | CIF | C40 H24 Br2 Cl2 Cu N2 O4 | P -1 | 11.182; 12.5407; 12.5464 93.388; 96.567; 93.588 | 1740.5 | Kumar, Sunil; Choudhary, Mukesh Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease New Journal of Chemistry, 2022, 46, 4911-4926 |
| 7061317 | CIF | C38 H26 N6 O2 | P -1 | 11.6727; 11.7539; 13.2143 78.388; 66.796; 69.702 | 1558.5 | Yadav, Priyanka; Verma, Abhineet; Sharma, Vishal Prasad; Singh, Rashmi; Yadav, Tarun; Kumar, Ranjeet; Pal, Shiv; Gupta, Hariom; Saha, Satyen; Tewari, Ashish K. The development of a robust folded scaffold as a fluorescent material using butylidine-linked pyridazinone-based systems via aromatic π⋯π stacking interactions New Journal of Chemistry, 2022, 46, 5830-5838 |
| 7061318 | CIF | C36 H26 N6 O2 | P 1 21/n 1 | 10.312; 13.852; 19.986 90; 91.231; 90 | 2854.2 | Yadav, Priyanka; Verma, Abhineet; Sharma, Vishal Prasad; Singh, Rashmi; Yadav, Tarun; Kumar, Ranjeet; Pal, Shiv; Gupta, Hariom; Saha, Satyen; Tewari, Ashish K. The development of a robust folded scaffold as a fluorescent material using butylidine-linked pyridazinone-based systems via aromatic π⋯π stacking interactions New Journal of Chemistry, 2022, 46, 5830-5838 |
| 7061319 | CIF | C34 H54 Cl F18 Fe2 N8 O4 P3 | P 1 21/c 1 | 16.0603; 16.6212; 17.6984 90; 92.069; 90 | 4721.4 | do Nascimento, Juliana S.; de Sousa, Aurideia P.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Teixeira, Edson H.; do Nascimento Neto, Luiz Gonzaga; Bezerra, Beatriz Pinheiro; Ayala, Alejandro Pedro; Batista, Alzir A.; Vasconcelos, Igor F.; Oliveira, Francisco G. S.; Holanda, Alda K. M. A binuclear Fe(iii)/quinizarin complex as a structural model for anthracycline drugs binding to iron New Journal of Chemistry, 2022, 46, 5515-5525 |
| 7061320 | CIF | C12 H20 O3 | P -1 | 5.9803; 7.9085; 13.5905 88.056; 87.341; 70.216 | 604.06 | Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Robles, Norma Lis; Lezama, José O. G.; Sankaran, Sankaran Venkatachalam; Thamotharan, Subbiah; Villecco, Margarita B.; Loandos, María del H.; Gil, Diego M. Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives New Journal of Chemistry, 2022, 46, 5690-5704 |
| 7061321 | CIF | C14 H22 O5 | P 1 21/n 1 | 7.6744; 19.7633; 10.3173 90; 109.582; 90 | 1474.33 | Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Robles, Norma Lis; Lezama, José O. G.; Sankaran, Sankaran Venkatachalam; Thamotharan, Subbiah; Villecco, Margarita B.; Loandos, María del H.; Gil, Diego M. Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives New Journal of Chemistry, 2022, 46, 5690-5704 |
| 7061322 | CIF | C12 H10 N2 O4 S | P -1 | 5.4648; 10.4074; 10.6121 82.244; 81.501; 78.883 | 582.19 | Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry, 2022, 46, 6060-6067 |
| 7061323 | CIF | C8 H9 Fe N O6 | P -1 | 7.394; 8.345; 8.843 62.78; 71.92; 80.61 | 461.1 | Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry, 2022, 46, 6060-6067 |
| 7061324 | CIF | C12 H8 Mn N2 O4 S | P 1 21/c 1 | 8.761; 10.3491; 14.86 90; 91.067; 90 | 1347.1 | Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry, 2022, 46, 6060-6067 |
| 7061325 | CIF | C81 H105 N7 O30 Zn4 | C 1 2/m 1 | 22.248; 25.89; 17.197 90; 97.589; 90 | 9819 | Wu, Ya-Meng; Zhao, Pei-Chen; Jia, Bin; Li, Zhe; Yuan, Shuai; Li, Cheng-Hui A silver-functionalized metal–organic framework with effective antibacterial activity New Journal of Chemistry, 2022, 46, 5922-5926 |
| 7061326 | CIF | C43 H32 Cu I N2 P2 | P 21 21 21 | 10.656; 17.374; 20.131 90; 90; 90 | 3727 | Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions New Journal of Chemistry, 2022, 46, 6185-6192 |
| 7061327 | CIF | C43 H32 Br Cu N2 P2 | P 21 21 21 | 10.6373; 17.157; 19.959 90; 90; 90 | 3642.6 | Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions New Journal of Chemistry, 2022, 46, 6185-6192 |
| 7061328 | CIF | C44.5 H34.25 Cl Cu N2.75 P2 | P 1 21/c 1 | 18.975; 11.948; 17.49 90; 113.44; 90 | 3638 | Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions New Journal of Chemistry, 2022, 46, 6185-6192 |
| 7061329 | CIF | C31 H27 N O3 | P -1 | 10.3312; 11.7235; 11.9422 99.9553; 105.458; 97.7123 | 1348.12 | Thombal, Raju S.; Aslam, Mohammad; Mohandoss, Sonaimuthu; Lee, Yong Rok Rhodium-catalyzed cascade C–H activation/annulation/1,6-acyl migration: direct construction of free N–H indoles under mild conditions New Journal of Chemistry, 2022, 46, 6126-6133 |
| 7061330 | CIF | C16 H36 As2 N4 Pb | P n m a | 18.684; 11.9988; 10.0984 90; 90; 90 | 2263.9 | Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry, 2022, 46, 6899-6920 |
| 7061331 | CIF | C23 H21 Cu N3 O5 | P 1 21/n 1 | 10.271; 7.6001; 13.5989 90; 108.617; 90 | 1005.99 | Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry, 2022, 46, 6899-6920 |
| 7061332 | CIF | C24 H26 Cu N4 O6 | P 1 21/n 1 | 9.8103; 5.9728; 19.254 90; 98.697; 90 | 1115.22 | Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry, 2022, 46, 6899-6920 |
| 7061333 | CIF | C32 H45 Cu N5 O7 | P -1 | 11.3901; 12.802; 13.0487 66.301; 70.763; 87.575 | 1636.01 | Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry, 2022, 46, 6899-6920 |
| 7061334 | CIF | C28 H34 Cu N4 O6 | P -1 | 6.063; 10.1393; 10.9316 87.176; 84.072; 88.091 | 667.34 | Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry, 2022, 46, 6899-6920 |
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