Crystallography Open Database

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Searching year of publication is 2024

COD ID: 1569774
CIF file Formula: - C17 H10 N2 S7 -
Comments: Tomimatsu, Akihiro; Suizu, Rie; Nakazawa, Miyabi; Shirahata, Takashi; Misaki, Yohji; Kinoshita, Naoya; Awaga, Kunio Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules. Faraday discussions 250 (2024) 96-109
Space group: P 1 21/n 1
Cell volume: 1779.09
Cell parameters: 6.504; 23.3098; 11.7604; 90; 93.774; 90;  

COD ID: 1570094
CIF file Formula: - C47.25 H43.5 Cl2.5 F10 Ir N4 O4 -
Comments: Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L. Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution Catalysis Science & Technology 14(1) (2024) 66-75
Space group: P c c n
Cell volume: 10081.4
Cell parameters: 17.915; 22.4618; 25.0531; 90; 90; 90;  

COD ID: 1570095
CIF file Formula: - C53 H52 F10 Ir N5 O4 -
Comments: Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L. Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution Catalysis Science & Technology 14(1) (2024) 66-75
Space group: P b c n
Cell volume: 11574.6
Cell parameters: 25.7551; 19.7204; 22.789; 90; 90; 90;  

COD ID: 1570192
CIF file Formula: - C40 H34 -
Comments: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups. Chemical science 15(2) (2024) 466-476
Space group: P 1 21/n 1
Cell volume: 2798.8
Cell parameters: 12.554; 14.479; 15.943; 90; 105.032; 90;  

COD ID: 1570193
CIF file Formula: - C44 H36 -
Comments: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups. Chemical science 15(2) (2024) 466-476
Space group: C 1 2/c 1
Cell volume: 5994.8
Cell parameters: 29.1349; 13.8389; 14.8881; 90; 92.953; 90;  

COD ID: 1570194
CIF file Formula: - C40 H36 B2 N2 -
Comments: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups. Chemical science 15(2) (2024) 466-476
Space group: C 1 2/c 1
Cell volume: 6024.8
Cell parameters: 29.2871; 13.7319; 15.0245; 90; 94.365; 90;  

COD ID: 1570195
CIF file Formula: - C36 H34 B2 N2 -
Comments: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups. Chemical science 15(2) (2024) 466-476
Space group: P 1 21/n 1
Cell volume: 2848.96
Cell parameters: 17.5703; 8.2181; 20.6544; 90; 107.203; 90;  

COD ID: 1570196
CIF file Formula: - C38.5 H33 B2 Cl N4 -
Comments: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups. Chemical science 15(2) (2024) 466-476
Space group: P -1
Cell volume: 3618.4
Cell parameters: 13.0913; 14.9897; 19.698; 86.55; 86.961; 69.776;  

COD ID: 1570197
CIF file Formula: - C36 H32 B2 Br2 N2 -
Comments: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups. Chemical science 15(2) (2024) 466-476
Space group: P 1 21/n 1
Cell volume: 6105.3
Cell parameters: 21.8649; 12.8104; 22.9768; 90; 108.44; 90;  

COD ID: 1570214
CIF file Formula: - C45 H50 Au Cl2 N3 -
Comments: Au-Yeung, Cathay Chai; Leung, Ming-Yi; Lai, Shiu-Lun; Cheng, Shun-Cheung; Li, Lok-Kwan; Tang, Man-Chung; Kwok, Wing-Kei; Ko, Chi-Chiu; Chan, Mei-Yee; Yam, Vivian Wing-Wah Thermally activated delayed fluorescence tetradentate ligand-containing gold(III) complexes with preferential molecular orientation and their application in organic light-emitting devices. Materials horizons 11(1) (2024) 151-162
Space group: P -1
Cell volume: 3946.5
Cell parameters: 13.6447; 16.79; 18.809; 111.312; 99.798; 90.068;  

COD ID: 1570270
CIF file Formula: - C38 H42 Cl2 Cu2 N6 O15 -
Comments: Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal. Materials horizons 11(2) (2024) 454-459
Space group: P 1 21 1
Cell volume: 2169.58
Cell parameters: 9.4947; 15.7979; 14.4936; 90; 93.65; 90;  

COD ID: 1570271
CIF file Formula: - C38 H42 Cl2 Cu2 N6 O15 -
Comments: Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal. Materials horizons 11(2) (2024) 454-459
Space group: P 1 21 1
Cell volume: 2103.61
Cell parameters: 9.3868; 15.5499; 14.4461; 90; 93.944; 90;  

COD ID: 1570302
CIF file

Original IUCr paper

 Formula: - C27 H33 F N4 O4 -
Comments: Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ 11(Pt 1) (2024) 23-33
Space group: P 1 21/c 1
Cell volume: 2504.5
Cell parameters: 23.295; 10.179; 10.6479; 90; 97.284; 90;  

COD ID: 1570303
CIF file Formula: - C31 H41 F N4 O4 -
Comments: Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ 11(Pt 1) (2024) 23-33
Space group: P 1 21/c 1
Cell volume: 2918
Cell parameters: 26.953; 10.08; 10.753; 90; 92.658; 90;  

COD ID: 1570304
CIF file Formula: - C35 H49 F N4 O4 -
Comments: Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ 11(Pt 1) (2024) 23-33
Space group: P 1 21/c 1
Cell volume: 3297.6
Cell parameters: 31.029; 9.9381; 10.8384; 90; 99.374; 90;  

COD ID: 1570305
CIF file Formula: - C39 H57 F N4 O4 -
Comments: Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ 11(Pt 1) (2024) 23-33
Space group: P 1 21/c 1
Cell volume: 3626.1
Cell parameters: 34.188; 9.828; 10.8068; 90; 92.992; 90;  

COD ID: 1570363
CIF file Formula: - C10 H11 Br2 Co N3 -
Comments: Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions Catalysis Science & Technology 14(1) (2024) 98-109
Space group: P -1
Cell volume: 650.4
Cell parameters: 7.948; 8.256; 10.775; 75.188; 78.772; 73.732;  

COD ID: 1570368
CIF file Formula: - C34 H29 N3 O6 -
Comments: Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach. Chemical science 15(2) (2024) 490-499
Space group: P b c a
Cell volume: 5533
Cell parameters: 36.1; 19.23; 7.97; 90; 90; 90;  

COD ID: 1570373
CIF file Formula: - C136 H90 Cl2 N4 O16 -
Comments: Weh, Manuel; Kroeger, Asja A.; Anhalt, Olga; Karton, Amir; Würthner, Frank Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane. Chemical science 15(2) (2024) 609-617
Space group: P 1
Cell volume: 5394.3
Cell parameters: 13.2705; 21.6957; 22.113; 111.223; 102.466; 104.738;  

COD ID: 1570384
CIF file Formula: - C15 H12 F4 O3 S -
Comments: Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification Catalysis Science & Technology 14(1) (2024) 183-189
Space group: P -1
Cell volume: 724.72
Cell parameters: 6.95; 9.8071; 11.6221; 90.667; 105.074; 107.794;  

COD ID: 1570409
CIF file Formula: - C40 H20 Cl4 O7 S8 -
Comments: Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components. Chemical science 15(5) (2024) 1692-1699
Space group: P 21 21 2
Cell volume: 2039.08
Cell parameters: 17.9065; 15.4002; 7.3943; 90; 90; 90;  

COD ID: 1570410
CIF file Formula: - C24 H4 Cl4 N0.25 O6 -
Comments: Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components. Chemical science 15(5) (2024) 1692-1699
Space group: P 1 21/n 1
Cell volume: 1922
Cell parameters: 13.343; 10.807; 14.322; 90; 111.45; 90;  

COD ID: 1570411
CIF file Formula: - C28 H24 Br2 N2 O4 S2 -
Comments: Zhao, Lingli; Cao, Yanyan; Qin, Hanwen; He, Xi; Zhao, Zhiyuan; Guo, Yunlong; Chen, Huajie Synthesis and charge-transport properties of novel π-conjugated polymers incorporating core-extended naphtho[2,1-b:3,4-b′]dithiophene diimides Polymer Chemistry 15(2) (2024) 59-70
Space group: P 1 21/c 1
Cell volume: 2644.74
Cell parameters: 15.37851; 22.32456; 7.70669; 90; 91.6555; 90;  

COD ID: 1570412
CIF file Formula: - C52 H40 N4 O2 -
Comments: Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs. Chemical science 15(2) (2024) 545-554
Space group: P -1
Cell volume: 1934.6
Cell parameters: 10.0726; 14.3581; 15.3628; 109.639; 95.666; 108.274;  

COD ID: 1570413
CIF file Formula: - C64 H64 N4 O2 -
Comments: Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs. Chemical science 15(2) (2024) 545-554
Space group: P -1
Cell volume: 2603.41
Cell parameters: 5.9658; 17.8685; 25.1599; 76.932; 86.233; 86.248;  

COD ID: 1570414
CIF file Formula: - C33 H22 F7 N3 O2 -
Comments: Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science 15(2) (2024) 618-628
Space group: C 2 2 21
Cell volume: 5746
Cell parameters: 7.1815; 17.3109; 46.2197; 90; 90; 90;  

COD ID: 1570415
CIF file Formula: - C33 H22 F7 N3 O2 -
Comments: Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science 15(2) (2024) 618-628
Space group: P -1
Cell volume: 1356.82
Cell parameters: 8.3043; 8.691; 20.6746; 80.978; 81.965; 67.556;  

COD ID: 1570416
CIF file Formula: - C79 H64 F14 N6 O4 -
Comments: Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science 15(2) (2024) 618-628
Space group: P 1 21 1
Cell volume: 3272.29
Cell parameters: 17.8394; 8.2183; 22.8962; 90; 102.884; 90;  

COD ID: 1570417
CIF file Formula: - C73 H57 Cl3 F14 N6 O4 -
Comments: Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science 15(2) (2024) 618-628
Space group: P 1 2/c 1
Cell volume: 6724.53
Cell parameters: 22.8294; 9.4458; 31.1842; 90; 90.301; 90;  

COD ID: 1570418
CIF file Formula: - C61 H80 O13 -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 1 21 1
Cell volume: 2679.4
Cell parameters: 8.6927; 29.467; 11.3135; 90; 112.393; 90;  

COD ID: 1570419
CIF file Formula: - C30 H34 O4 -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 2483.03
Cell parameters: 8.7346; 9.9202; 28.6562; 90; 90; 90;  

COD ID: 1570420
CIF file Formula: - C30 H38 O4 -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 2553.2
Cell parameters: 8.8971; 15.2326; 18.8392; 90; 90; 90;  

COD ID: 1570421
CIF file Formula: - C30 H40 O5 -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 2636.1
Cell parameters: 8.7065; 13.1797; 22.9727; 90; 90; 90;  

COD ID: 1570422
CIF file Formula: - C30 H40 O4 -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 2584.96
Cell parameters: 8.6842; 15.4286; 19.2929; 90; 90; 90;  

COD ID: 1570423
CIF file Formula: - C30 H34 O4 -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 2483.1
Cell parameters: 8.733; 9.9169; 28.6719; 90; 90; 90;  

COD ID: 1570424
CIF file Formula: - C15 H22 O -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 1278.69
Cell parameters: 8.2056; 9.4771; 16.4429; 90; 90; 90;  

COD ID: 1570425
CIF file Formula: - C15 H22 O -
Comments: He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science 15(4) (2024) 1260-1270
Space group: P 21 21 21
Cell volume: 1278.88
Cell parameters: 8.2085; 9.4732; 16.4463; 90; 90; 90;  

COD ID: 1570432
CIF file Formula: - C34 H85.6 F12 Mg N14 O8 S4 -
Comments: Wang, Min; Sun, Wenhao; Zhang, Kun; Zhang, Zhonghua; Du, Aobing; Dong, Shanmu; Zhang, Jinlei; Liu, Jing; Chen, Xi; Zhou, Zhenfang; Li, Fujun; Li, Zhenjiang; Li, Guicun; Cui, Guanglei Synergy between the coordination and trace ionization of co-solvents enables reversible magnesium electroplating/stripping behavior Energy & Environmental Science 17(2) (2024) 630-641
Space group: P -1
Cell volume: 3041.1
Cell parameters: 9.611; 15.13; 21.533; 91.969; 96.72; 101.57;  

COD ID: 1570433
CIF file Formula: - C2 H6 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 248.55
Cell parameters: 5.5541; 6.6179; 6.964; 90; 103.835; 90;  

COD ID: 1570434
CIF file Formula: - C2 H6 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 241.5
Cell parameters: 5.5277; 6.527; 6.8941; 90; 103.869; 90;  

COD ID: 1570435
CIF file Formula: - C2 H6 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 237.59
Cell parameters: 5.5073; 6.493; 6.8431; 90; 103.848; 90;  

COD ID: 1570436
CIF file Formula: - C2 H6 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 467
Cell parameters: 4.3394; 8.414; 12.821; 90.55; 93.89; 90.83;  

COD ID: 1570437
CIF file Formula: - C2 H6 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 454.5
Cell parameters: 4.2888; 8.3045; 12.7912; 90.249; 93.92; 90.14;  

COD ID: 1570438
CIF file Formula: - C2 H6 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 438.3
Cell parameters: 4.25; 8.198; 12.6105; 90.641; 93.97; 90.04;  

COD ID: 1570439
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 431.32
Cell parameters: 6.8268; 8.1428; 7.7731; 90; 93.443; 90;  

COD ID: 1570440
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 424.12
Cell parameters: 6.7948; 8.0952; 7.7259; 90; 93.621; 90;  

COD ID: 1570441
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 418.7
Cell parameters: 6.7759; 8.0552; 7.6873; 90; 93.713; 90;  

COD ID: 1570442
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 415.29
Cell parameters: 6.7612; 8.0271; 7.6687; 90; 93.784; 90;  

COD ID: 1570443
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: I 1 2/a 1
Cell volume: 416.08
Cell parameters: 7.7073; 4.0885; 13.233; 90; 93.793; 90;  

COD ID: 1570444
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 202.56
Cell parameters: 5.1196; 5.6659; 7.2999; 97.275; 102.728; 96.747;  

COD ID: 1570445
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 198.13
Cell parameters: 5.0809; 5.6329; 7.2451; 97.382; 102.749; 97.002;  

COD ID: 1570446
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 196.6
Cell parameters: 5.072; 5.629; 7.215; 97.43; 102.91; 97.15;  

COD ID: 1570447
CIF file Formula: - C4 H10 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P -1
Cell volume: 190.31
Cell parameters: 5.0182; 5.575; 7.136; 97.36; 102.81; 97.72;  

COD ID: 1570448
CIF file Formula: - C6 H14 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 601.7
Cell parameters: 9.416; 4.1817; 15.579; 90; 101.23; 90;  

COD ID: 1570449
CIF file Formula: - C6 H14 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 585.5
Cell parameters: 9.368; 4.1229; 15.434; 90; 100.84; 90;  

COD ID: 1570450
CIF file Formula: - C6 H14 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 564.8
Cell parameters: 9.293; 4.0686; 15.1855; 90; 100.35; 90;  

COD ID: 1570451
CIF file Formula: - C6 H14 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 543.2
Cell parameters: 9.198; 4.0064; 14.9459; 90; 99.54; 90;  

COD ID: 1570452
CIF file Formula: - C6 H14 O -
Comments: Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ 11(Pt 1) (2024) 57-61
Space group: P 1 21/c 1
Cell volume: 520.5
Cell parameters: 9.099; 3.9465; 14.649; 90; 98.32; 90;  

COD ID: 1570453
CIF file Formula: - C54 H74 N2 O8 -
Comments: Zhang, Fan; Wang, Su-Jing; Xiao, Wen; Yu, Ming-Zhu; Sha, Feng; Wu, Ruibo; Xiang, Zheng Harnessing the catalytic plasticity of the ent-kaurene synthase from Bradyrhizobium japonicum to produce the ent-rosane and ent-pimarane scaffolds Catalysis Science & Technology 14(2) (2024) 306-314
Space group: P 1
Cell volume: 1201.43
Cell parameters: 6.10213; 7.30975; 29.70773; 92.3183; 93.944; 114.298;  

COD ID: 1570470
CIF file Formula: - C5 H6 O4 -
Comments: Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one Polymer Chemistry 15(3) (2024) 156-165
Space group: P 1 21/n 1
Cell volume: 547.2
Cell parameters: 9.5342; 6.5619; 9.7191; 90; 115.851; 90;  

COD ID: 1570471
CIF file Formula: - C6 H8 O4 -
Comments: Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one Polymer Chemistry 15(3) (2024) 156-165
Space group: P b c a
Cell volume: 1318.15
Cell parameters: 6.6336; 10.5499; 18.8351; 90; 90; 90;  

COD ID: 1570472
CIF file Formula: - C6 H8 O4 -
Comments: Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one Polymer Chemistry 15(3) (2024) 156-165
Space group: P 21 21 21
Cell volume: 650.66
Cell parameters: 6.6147; 8.8811; 11.0758; 90; 90; 90;  

COD ID: 1570473
CIF file Formula: - C12 H14 O5 -
Comments: Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one Polymer Chemistry 15(3) (2024) 156-165
Space group: P 1 21/c 1
Cell volume: 1108.94
Cell parameters: 11.1805; 9.2464; 11.1482; 90; 105.801; 90;  

COD ID: 1570474
CIF file Formula: - C17 H20 O9 -
Comments: Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one Polymer Chemistry 15(3) (2024) 156-165
Space group: P n a 21
Cell volume: 3394.24
Cell parameters: 11.7418; 34.0977; 8.4778; 90; 90; 90;  

COD ID: 1570475
CIF file Formula: - C47 H44 Cl N2 Pd -
Comments: Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization Polymer Chemistry 15(1) (2024) 40-45
Space group: P 1 21/c 1
Cell volume: 3907.2
Cell parameters: 19.1884; 10.6212; 20.1144; 90; 107.614; 90;  

COD ID: 1570476
CIF file Formula: - C26 H35 Cl N2 Pd -
Comments: Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization Polymer Chemistry 15(1) (2024) 40-45
Space group: P 1 21 1
Cell volume: 5516
Cell parameters: 15.119; 15.12; 24.857; 90; 103.91; 90;  

COD ID: 1570477
CIF file Formula: - C81 H60 B F24 N3 Pd -
Comments: Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization Polymer Chemistry 15(1) (2024) 40-45
Space group: P -1
Cell volume: 3685.4
Cell parameters: 10.034; 19.1514; 20.3631; 100.585; 95.043; 104.58;  

COD ID: 1570480
CIF file Formula: - C72 H144 Fe3 K4 N8 O24 Sn18 -
Comments: Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W. T.; Shu, Cong-Cong; McGrady, John E.; Sun, Zhong-Ming Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe<sub>3</sub> core, [Fe<sub>3</sub>Sn<sub>18</sub>]<sup>4</sup>. Chemical science 15(3) (2024) 1018-1026
Space group: P 1 21/c 1
Cell volume: 6666
Cell parameters: 14.8596; 25.1992; 18.793; 90; 108.689; 90;  

COD ID: 1570481
CIF file Formula: - C32 H33 N O4 -
Comments: Han, Zhengyu; Zhu, Biao; Zang, Yu; Zhang, Chaoshen; Dong, Xiu-Qin; Huang, Hai; Sun, Jianwei Primary activation of <i>para</i>-quinone methides by chiral phosphoric acid for enantioselective construction of tetraarylmethanes. Chemical science 15(2) (2024) 720-725
Space group: P 1 21 1
Cell volume: 1309.82
Cell parameters: 13.02736; 7.6261; 13.31312; 90; 97.9813; 90;  

COD ID: 1570482
CIF file Formula: - C23 H25 Al F6 N2 O6 S2 -
Comments: Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav Lewis acid catalysed polymerisation of cyclopentenone. Chemical science 15(2) (2024) 639-643
Space group: P -1
Cell volume: 1408.04
Cell parameters: 9.406; 11.1167; 15.5637; 75.81; 72.977; 66.135;  

COD ID: 1570483
CIF file Formula: - C19 H17 Al F6 N2 O6 S2 -
Comments: Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav Lewis acid catalysed polymerisation of cyclopentenone. Chemical science 15(2) (2024) 639-643
Space group: C 1 2/c 1
Cell volume: 2472.31
Cell parameters: 20.7709; 10.3593; 13.0575; 90; 118.364; 90;  

COD ID: 1570484
CIF file Formula: - C41 H42 Al2 Cl4 N4 -
Comments: Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav Lewis acid catalysed polymerisation of cyclopentenone. Chemical science 15(2) (2024) 639-643
Space group: P 1 21/n 1
Cell volume: 2042.12
Cell parameters: 6.2994; 22.3513; 14.5043; 90; 90.524; 90;  

COD ID: 1570485
CIF file Formula: - C96 H90 Fe6 In13 N12 O42 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: R -3 :H
Cell volume: 9761.8
Cell parameters: 19.8087; 19.8087; 28.7268; 90; 90; 120;  

COD ID: 1570486
CIF file Formula: - C68 H56 Cl2 Fe4 In13 N8 O38 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: C 1 2/m 1
Cell volume: 5987.4
Cell parameters: 19.6313; 22.929; 13.3713; 90; 95.854; 90;  

COD ID: 1570487
CIF file Formula: - C106 H86 Fe6 In13 O52 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: C 1 2/m 1
Cell volume: 7145.74
Cell parameters: 21.2041; 25.0454; 13.8544; 90; 103.783; 90;  

COD ID: 1570488
CIF file Formula: - C78 H78 Fe6 In13 O48 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: C 1 2/c 1
Cell volume: 13415.8
Cell parameters: 32.0443; 14.9493; 28.0793; 90; 94.153; 90;  

COD ID: 1570489
CIF file Formula: - C95 H66 Cl3 Fe6 In7 O28 P -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: R -3 :H
Cell volume: 14838.2
Cell parameters: 16.1506; 16.1506; 65.6859; 90; 90; 120;  

COD ID: 1570490
CIF file Formula: - C304 H216 Fe24 In28 N8 O116 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: P 42/n :2
Cell volume: 19625.3
Cell parameters: 35.1846; 35.1846; 15.853; 90; 90; 90;  

COD ID: 1570491
CIF file Formula: - C88 H84 Fe6 In7 N6 O28 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: R -3 :H
Cell volume: 16563.2
Cell parameters: 25.3175; 25.3175; 29.8382; 90; 90; 120;  

COD ID: 1570492
CIF file Formula: - C92 H96 Fe6 In13 N6 O46 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: I 1 2/a 1
Cell volume: 13070.1
Cell parameters: 27.37206; 15.00755; 31.8968; 90; 94.0511; 90;  

COD ID: 1570493
CIF file Formula: - C120 H84 Fe12 In12 O60 -
Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735
Space group: P 1 21/n 1
Cell volume: 8032.26
Cell parameters: 15.4037; 20.7536; 25.173; 90; 93.511; 90;  

COD ID: 1570494
CIF file Formula: - C48 H128 Cl11 Cu24 Gd6 N12 O138 -
Comments: Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation. Chemical science 15(2) (2024) 511-515
Space group: P -1
Cell volume: 5524.1
Cell parameters: 18.7431; 18.7639; 19.9485; 65.084; 76.898; 60.275;  

COD ID: 1570495
CIF file Formula: - C73 H156 Cl16 Cu24 Gd6 N36 O151 -
Comments: Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation. Chemical science 15(2) (2024) 511-515
Space group: R -3 :H
Cell volume: 20095.3
Cell parameters: 20.0889; 20.0889; 57.4977; 90; 90; 120;  

COD ID: 1570496
CIF file Formula: - C19 H21 N O4 S2 -
Comments: Lipilin, Dmitry L.; Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Dilman, Alexander D. Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N-O bond cleavage. Chemical science 15(2) (2024) 644-650
Space group: P 21 21 21
Cell volume: 1854.37
Cell parameters: 6.2918; 7.9579; 37.036; 90; 90; 90;  

COD ID: 1570497
CIF file Formula: - C24 H21 Cl2 N3 O3 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 1 21/n 1
Cell volume: 4647.79
Cell parameters: 21.7245; 8.151; 27.6097; 90; 108.074; 90;  

COD ID: 1570498
CIF file Formula: - C22 H15 F2 N3 O2 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 1 21/n 1
Cell volume: 1839
Cell parameters: 12.139; 6.8997; 22.664; 90; 104.348; 90;  

COD ID: 1570499
CIF file Formula: - C24 H17 N3 O2 Pt S -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 1 21/c 1
Cell volume: 2032
Cell parameters: 12.577; 8.202; 20.223; 90; 103.1; 90;  

COD ID: 1570500
CIF file Formula: - C42 H61 Cl N4 O3 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 1 21/n 1
Cell volume: 3997.66
Cell parameters: 8.5147; 16.3288; 28.9929; 90; 97.377; 90;  

COD ID: 1570501
CIF file Formula: - C24 H18 N3 O2.5 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 1 21/c 1
Cell volume: 3804.6
Cell parameters: 29.7626; 5.095; 25.3909; 90; 98.831; 90;  

COD ID: 1570502
CIF file Formula: - C114 H122 Cl7 N13 O12 Pt4 -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: C 1 2/c 1
Cell volume: 10922
Cell parameters: 20.783; 23.203; 22.652; 90; 90.778; 90;  

COD ID: 1570503
CIF file Formula: - C41 H55 Cl3 N4 O2 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P c a 21
Cell volume: 3989.98
Cell parameters: 28.1013; 8.2546; 17.2008; 90; 90; 90;  

COD ID: 1570504
CIF file Formula: - C42 H61 Cl N4 O2 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P c a 21
Cell volume: 4047.7
Cell parameters: 21.437; 8.3346; 22.655; 90; 90; 90;  

COD ID: 1570505
CIF file Formula: - C39.67 H54.34 Cl2.67 F2 N4 O2 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 1 21 1
Cell volume: 8196.2
Cell parameters: 16.8798; 16.7488; 29.324; 90; 98.644; 90;  

COD ID: 1570506
CIF file Formula: - C42 H57 Cl3 N4 O2 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P b c a
Cell volume: 8232
Cell parameters: 17.716; 17.001; 27.332; 90; 90; 90;  

COD ID: 1570507
CIF file Formula: - C96 H70 Au Cl9 N10 O4 Pt2 -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P -1
Cell volume: 4218.34
Cell parameters: 13.5379; 18.5737; 19.8643; 62.469; 72.905; 86.326;  

COD ID: 1570508
CIF file Formula: - C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: C 1 2/c 1
Cell volume: 8469.9
Cell parameters: 47.3103; 8.5434; 21.0894; 90; 96.468; 90;  

COD ID: 1570509
CIF file Formula: - C112 H116 Cl13 N13 O12 Pt4 -
Comments: Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly. Chemical science 15(3) (2024) 964-973
Space group: P 4/n c c :2
Cell volume: 10433.1
Cell parameters: 22.024; 22.024; 21.509; 90; 90; 90;  

COD ID: 1570510
CIF file Formula: - C60 H46 N4 -
Comments: Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement. Chemical science 15(2) (2024) 458-465
Space group: P 1 21/n 1
Cell volume: 2693.1
Cell parameters: 15.447; 5.8857; 29.629; 90; 91.258; 90;  

COD ID: 1570511
CIF file Formula: - C148 H142 I4 N60 O28 -
Comments: Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement. Chemical science 15(2) (2024) 458-465
Space group: P -1
Cell volume: 5460.3
Cell parameters: 13.107; 17.0258; 25.9476; 75.072; 85.004; 77.546;  

COD ID: 1570512
CIF file Formula: - C160 H150 I4 N68 O32 -
Comments: Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement. Chemical science 15(2) (2024) 458-465
Space group: P -4 2 c
Cell volume: 31425.4
Cell parameters: 18.6227; 18.6227; 90.614; 90; 90; 90;  

COD ID: 1570520
CIF file Formula: - C10 H28 Cl6 In N3 O -
Comments: Li, Dong-Yang; Kang, Huai-Yuan; Liu, Yu-Hang; Zhang, Jie; Yue, Cheng-Yang; Yan, Dongpeng; Lei, Xiao-Wu A 0D hybrid lead-free halide with near-unity photoluminescence quantum yield toward multifunctional optoelectronic applications. Chemical science 15(3) (2024) 953-963
Space group: P 21 21 21
Cell volume: 2101.3
Cell parameters: 9.3561; 12.3477; 18.1889; 90; 90; 90;  

COD ID: 1570521
CIF file Formula: - C13 H25 F6 Fe N3 O7 S2 -
Comments: Devi, Tarali; Dutta, Kuheli; Deutscher, Jennifer; Mebs, Stefan; Kuhlmann, Uwe; Haumann, Michael; Cula, Beatrice; Dau, Holger; Hildebrandt, Peter; Ray, Kallol A high-spin alkylperoxo-iron(iii) complex with <i>cis</i>-anionic ligands: implications for the superoxide reductase mechanism. Chemical science 15(2) (2024) 528-533
Space group: P b c n
Cell volume: 4868.4
Cell parameters: 35.662; 8.8757; 15.3809; 90; 90; 90;  

COD ID: 1570522
CIF file Formula: - C76.5 H72.5 N Ni O2 P -
Comments: Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H. Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes Polymer Chemistry 15(4) (2024) 292-302
Space group: P -1
Cell volume: 2995.1
Cell parameters: 10.6428; 16.779; 18.282; 109.298; 101.65; 92.667;  

COD ID: 1570523
CIF file Formula: - C48 H46 N Ni O P -
Comments: Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H. Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes Polymer Chemistry 15(4) (2024) 292-302
Space group: P -1
Cell volume: 1953.8
Cell parameters: 11.4531; 13.695; 14.417; 77.01; 66.853; 71.002;  

COD ID: 1570524
CIF file Formula: - C45 H40 N Ni O P -
Comments: Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H. Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes Polymer Chemistry 15(4) (2024) 292-302
Space group: P -1
Cell volume: 1781.5
Cell parameters: 9.3181; 10.1498; 19.648; 103.844; 97.992; 92.327;  

COD ID: 1570526
CIF file Formula: - C20 H20 O3 -
Comments: Hou, Jingwei; Li, Xiaohong; Yan, Kaiyu; Zhang, Lei; Loh, Teck-Peng; Xie, Peizhong Uracil-Cu(i) catalyst: allylation of cyclopropanols with Morita-Baylis-Hillman alcohols under water-tolerant conditions. Chemical science 15(3) (2024) 1143-1149
Space group: C 1 2/c 1
Cell volume: 3281.1
Cell parameters: 33.9435; 5.7917; 17.1106; 90; 102.733; 90;  

COD ID: 1570527
CIF file Formula: - C30 H31 B F4 Mn N5 O3 -
Comments: Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A. Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation. Chemical science 15(4) (2024) 1409-1417
Space group: I 1 2/a 1
Cell volume: 6287.04
Cell parameters: 23.6994; 8.0465; 33.4683; 90; 99.912; 90;  

COD ID: 1570528
CIF file Formula: - C56 H62 B2 Cl2 Mn N5 O3 -
Comments: Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A. Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation. Chemical science 15(4) (2024) 1409-1417
Space group: P 1 21/c 1
Cell volume: 5253
Cell parameters: 19.766; 15.67; 17.052; 90; 95.937; 90;  

COD ID: 1570529
CIF file Formula: - C19 H16 S3 Si -
Comments: Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua Thia[<i>n</i>]helicenes with long persistent phosphorescence. Chemical science 15(3) (2024) 1077-1087
Space group: P b c a
Cell volume: 3475.29
Cell parameters: 12.8509; 12.404; 21.802; 90; 90; 90;  

COD ID: 1570530
CIF file Formula: - C15 H14 S3 Si -
Comments: Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua Thia[<i>n</i>]helicenes with long persistent phosphorescence. Chemical science 15(3) (2024) 1077-1087
Space group: P -1
Cell volume: 755.5
Cell parameters: 7.373; 8.088; 14.38; 94.58; 99.657; 114.95;  

COD ID: 1570531
CIF file Formula: - C27 H20 S3 Si -
Comments: Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua Thia[<i>n</i>]helicenes with long persistent phosphorescence. Chemical science 15(3) (2024) 1077-1087
Space group: P 1 21/c 1
Cell volume: 2251.23
Cell parameters: 14.2989; 12.2575; 12.9384; 90; 96.91; 90;  

COD ID: 1570532
CIF file Formula: - C23 H18 S3 Si -
Comments: Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua Thia[<i>n</i>]helicenes with long persistent phosphorescence. Chemical science 15(3) (2024) 1077-1087
Space group: P b c a
Cell volume: 3971.1
Cell parameters: 21.1138; 7.7627; 24.2285; 90; 90; 90;  

COD ID: 1570533
CIF file Formula: - C20 H18 N2 O -
Comments: Zhao, Yuanyuan; Li, Xinyue; Homölle, Simon L; Wang, Bin; Ackermann, Lutz Electrochemical assembly of isoxazoles <i>via</i> a four-component domino reaction. Chemical science 15(3) (2024) 1117-1122
Space group: P 1 21/n 1
Cell volume: 1619.58
Cell parameters: 6.00483; 7.13118; 37.8376; 90; 91.6595; 90;  

COD ID: 1570534
CIF file Formula: - C18 H14 Br Mn N2 O3 S -
Comments: Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex. Chemical science 15(3) (2024) 1098-1105
Space group: P -1
Cell volume: 1158.45
Cell parameters: 7.6734; 11.85; 13.3321; 104.364; 97.514; 93.655;  

COD ID: 1570535
CIF file Formula: - C19 H16 Br Mn N2 O3 S -
Comments: Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex. Chemical science 15(3) (2024) 1098-1105
Space group: P 1 21/c 1
Cell volume: 1923.47
Cell parameters: 13.2068; 15.5782; 9.4496; 90; 98.364; 90;  

COD ID: 1570536
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 994.76
Cell parameters: 6.0499; 10.3177; 16.6641; 101.437; 92.135; 101.786;  

COD ID: 1570537
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 1000.17
Cell parameters: 6.0419; 10.3191; 16.7479; 101.248; 92.177; 101.546;  

COD ID: 1570538
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 1002.25
Cell parameters: 6.0399; 10.3202; 16.7772; 101.178; 92.181; 101.469;  

COD ID: 1570539
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 1004.1
Cell parameters: 6.0394; 10.3207; 16.801; 101.124; 92.18; 101.408;  

COD ID: 1570540
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 1006.3
Cell parameters: 6.0405; 10.323; 16.826; 101.079; 92.174; 101.364;  

COD ID: 1570541
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 1009.6
Cell parameters: 6.0445; 10.33; 16.853; 101.035; 92.153; 101.338;  

COD ID: 1570542
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 997.93
Cell parameters: 6.0455; 10.3195; 16.7114; 101.333; 92.155; 101.65;  

COD ID: 1570543
CIF file Formula: - C21 H26 N2 O3 -
Comments: Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. Chemical science 15(3) (2024) 1088-1097
Space group: P -1
Cell volume: 1011.5
Cell parameters: 6.0467; 10.3324; 16.871; 101; 92.143; 101.307;  

COD ID: 1570544
CIF file Formula: - C31 H35 N O2 -
Comments: Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids. Chemical science 15(3) (2024) 1068-1076
Space group: P 1 21/n 1
Cell volume: 2478.56
Cell parameters: 9.6712; 10.1319; 25.4616; 90; 96.565; 90;  

COD ID: 1570545
CIF file Formula: - C28 H31 N O2 -
Comments: Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids. Chemical science 15(3) (2024) 1068-1076
Space group: P 1 21/n 1
Cell volume: 2368.72
Cell parameters: 9.0767; 10.2335; 25.6684; 90; 96.542; 90;  

COD ID: 1570546
CIF file Formula: - C32 H33 N3 -
Comments: Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids. Chemical science 15(3) (2024) 1068-1076
Space group: P -1
Cell volume: 2513.4
Cell parameters: 10.3382; 15.2358; 17.3918; 107.109; 95.894; 102.639;  

COD ID: 1570547
CIF file Formula: - C36 H26 Cl Cu N3 O4 S2 -
Comments: Mandal, Mukunda; Buss, Joshua A.; Chen, Si-Jie; Cramer, Christopher J.; Stahl, Shannon S. Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions. Chemical science 15(4) (2024) 1364-1373
Space group: P -1
Cell volume: 1675.3
Cell parameters: 10.232; 10.735; 16.557; 85.248; 72.999; 74.424;  

COD ID: 1570555
CIF file Formula: - C70 H60 N2 O6 P2 Pt -
Comments: Horiuchi, Takashi; Makino, Soya; Sano, Natsuhiro; Sogawa, Hiromitsu; Sanda, Fumio Synthesis of geometry-controlled platinum-containing polymers bearing optically active bidentate phosphine ligands Polymer Chemistry 15(4) (2024) 303-309
Space group: P 41 21 2
Cell volume: 18343.5
Cell parameters: 23.4819; 23.4819; 33.2671; 90; 90; 90;  

COD ID: 1570556
CIF file Formula: - C30 H34 Fe N2 O2 Zn -
Comments: Perez-Jimenez, Marina; Crimmin, Mark R. Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation. Chemical science 15(4) (2024) 1424-1430
Space group: P b c a
Cell volume: 5585.2
Cell parameters: 14.1876; 14.5939; 26.9748; 90; 90; 90;  

COD ID: 1570557
CIF file Formula: - C71 H94 Fe2 N4 O3 Zn2 -
Comments: Perez-Jimenez, Marina; Crimmin, Mark R. Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation. Chemical science 15(4) (2024) 1424-1430
Space group: P -1
Cell volume: 3336.8
Cell parameters: 10.6485; 15.0229; 20.9423; 89.192; 89.647; 84.943;  

COD ID: 1570558
CIF file Formula: - C185 H151 N3 -
Comments: Ruan, Lan; Luo, Wanhua; Zhang, Haifan; Liu, Peng; Shi, Yong; An, Peng Cycl[2,2,4]azine-embedded non-alternant nanographenes containing fused antiaromatic azepine ring. Chemical science 15(4) (2024) 1511-1519
Space group: P -1
Cell volume: 6303
Cell parameters: 11.1406; 16.2422; 35.82; 96.234; 92.497; 101.357;  

COD ID: 1570559
CIF file Formula: - C17 H18 N -
Comments: Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling. Chemical science 15(4) (2024) 1318-1323
Space group: P 21 21 21
Cell volume: 1348.08
Cell parameters: 8.5075; 9.6128; 16.4841; 90; 90; 90;  

COD ID: 1570562
CIF file Formula: - C30 H36 Cl2 N10 Ni O S2 -
Comments: Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical science 15(3) (2024) 974-990
Space group: P -1
Cell volume: 1730.7
Cell parameters: 9.141; 14.09; 14.188; 94.82; 92.36; 107.67;  

COD ID: 1570563
CIF file Formula: - C30 H35 Cl Cu N10 O5 S2 -
Comments: Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical science 15(3) (2024) 974-990
Space group: P -1
Cell volume: 1691.94
Cell parameters: 9.5625; 13.6735; 13.8397; 73.376; 77.366; 86.693;  

COD ID: 1570564
CIF file Formula: - C30 H32 N10 S2 Zn -
Comments: Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical science 15(3) (2024) 974-990
Space group: P -1
Cell volume: 1556.9
Cell parameters: 10.7315; 10.8268; 14.7436; 109.844; 91.411; 103.463;  

COD ID: 1570565
CIF file Formula: - C30 H34 Ga N11 O4 S2 -
Comments: Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical science 15(3) (2024) 974-990
Space group: P -1
Cell volume: 1713.04
Cell parameters: 8.7832; 11.7181; 17.1171; 92.486; 102.138; 94.766;  

COD ID: 1570566
CIF file Formula: - C31 H38 Cl Co N10 O2 S2 -
Comments: Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical science 15(3) (2024) 974-990
Space group: C 1 2/c 1
Cell volume: 7561.3
Cell parameters: 22.7746; 14.2349; 23.3316; 90; 91.509; 90;  

COD ID: 1570567
CIF file Formula: - C15 H16 Cl N5 Pd S -
Comments: Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical science 15(3) (2024) 974-990
Space group: P -1
Cell volume: 1672.06
Cell parameters: 10.0507; 10.5184; 17.5993; 73.219; 81.923; 69.997;  

COD ID: 1570572
CIF file Formula: - C59 H104 K La Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: C 2 2 21
Cell volume: 12205.3
Cell parameters: 18.1753; 22.3961; 29.9843; 90; 90; 90;  

COD ID: 1570573
CIF file Formula: - C55.5 H100 Ce K Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: C 2 2 21
Cell volume: 12205.3
Cell parameters: 18.1753; 22.3961; 29.9843; 90; 90; 90;  

COD ID: 1570574
CIF file Formula: - C52 H96 K Nd Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/n 1
Cell volume: 5517.7
Cell parameters: 14.8785; 17.3956; 21.4878; 90; 97.196; 90;  

COD ID: 1570575
CIF file Formula: - C52 H96 K La Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/n 1
Cell volume: 5591.4
Cell parameters: 14.9492; 17.4712; 21.5754; 90; 97.134; 90;  

COD ID: 1570576
CIF file Formula: - C52 H96 K Pr Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/n 1
Cell volume: 5607.5
Cell parameters: 14.9574; 17.5114; 21.5769; 90; 97.154; 90;  

COD ID: 1570577
CIF file Formula: - C59 H104 Er K Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: F 2 d d
Cell volume: 24196.1
Cell parameters: 16.0025; 32.4257; 46.6302; 90; 90; 90;  

COD ID: 1570578
CIF file Formula: - C54 H101 Ce K O0.5 Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/c 1
Cell volume: 6089.1
Cell parameters: 21.4286; 15.456; 18.8223; 90; 102.374; 90;  

COD ID: 1570579
CIF file Formula: - C52 H96 K Lu Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/n 1
Cell volume: 5499.1
Cell parameters: 14.843; 17.3279; 21.557; 90; 97.33; 90;  

COD ID: 1570580
CIF file Formula: - C52 H95 Er K Si4 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/n 1
Cell volume: 5507.8
Cell parameters: 14.8618; 17.3571; 21.5304; 90; 97.39; 90;  

COD ID: 1570581
CIF file Formula: - C118 H208 K2 Pr2 Si8 -
Comments: Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W. It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers. Chemical science 15(4) (2024) 1338-1347
Space group: P 1 21/n 1
Cell volume: 12080.8
Cell parameters: 13.8875; 33.4663; 26.021; 90; 92.638; 90;  

COD ID: 1570582
CIF file Formula: - C300 H449 Ag54 Br4 S30 -
Comments: Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters. Nanoscale 16(3) (2024) 1254-1259
Space group: P -1
Cell volume: 20379
Cell parameters: 21.8845; 22.1526; 49.1884; 91.508; 101.282; 118.372;  

COD ID: 1570583
CIF file Formula: - C284 H391 Ag52 Br4 S30 -
Comments: Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters. Nanoscale 16(3) (2024) 1254-1259
Space group: P n m a
Cell volume: 40262.2
Cell parameters: 47.2631; 24.0336; 35.4451; 90; 90; 90;  

COD ID: 1570584
CIF file Formula: - C300 H446 Ag58 Br4 N2 O6 S30 -
Comments: Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters. Nanoscale 16(3) (2024) 1254-1259
Space group: C 1 2/c 1
Cell volume: 40330.6
Cell parameters: 38.512; 21.966; 49.9423; 90; 107.332; 90;  

COD ID: 1570585
CIF file Formula: - C26 H21 Cl N2 O3 -
Comments: Formen, Jeffrey S. S. K.; Hassan, Diandra S.; Wolf, Christian Chemometric sensing of stereoisomeric compound mixtures with a redox-responsive optical probe. Chemical science 15(4) (2024) 1498-1504
Space group: P 21 21 21
Cell volume: 2183
Cell parameters: 5.8943; 13.4561; 27.524; 90; 90; 90;  

COD ID: 1570586
CIF file Formula: - C26 H25 N O3 S Se -
Comments: Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams. Chemical science 15(9) (2024) 3182-3191
Space group: P 1 21/n 1
Cell volume: 2355.1
Cell parameters: 14.879; 8.126; 19.752; 90; 99.543; 90;  

COD ID: 1570587
CIF file Formula: - C26 H24 Cl N O3 S -
Comments: Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams. Chemical science 15(9) (2024) 3182-3191
Space group: P 21 21 21
Cell volume: 2216.03
Cell parameters: 6.1782; 11.4363; 31.3637; 90; 90; 90;  

COD ID: 1570588
CIF file Formula: - C128 H56 N5 Nd Ni Sc2 -
Comments: Yang, Wei; Rosenkranz, Marco; Velkos, Georgios; Ziegs, Frank; Dubrovin, Vasilii; Schiemenz, Sandra; Spree, Lukas; de Souza Barbosa, Matheus Felipe; Guillemard, Charles; Valvidares, Manuel; Büchner, Bernd; Liu, Fupin; Avdoshenko, Stanislav M.; Popov, Alexey A. Covalency <i>versus</i> magnetic axiality in Nd molecular magnets: Nd-photoluminescence, strong ligand-field, and unprecedented nephelauxetic effect in fullerenes NdM<sub>2</sub>N@C<sub>80</sub> (M = Sc, Lu, Y). Chemical science 15(6) (2024) 2141-2157
Space group: C 1 2/c 1
Cell volume: 14892
Cell parameters: 25.3; 14.98; 39.47; 90; 95.44; 90;  

COD ID: 1570589
CIF file Formula: - Cs3 O11 V -
Comments: Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May Implementing vanadium peroxides as direct air carbon capture materials. Chemical science 15(5) (2024) 1700-1713
Space group: P 1 21/n 1
Cell volume: 1162.57
Cell parameters: 8.4013; 12.0178; 11.5178; 90; 91.359; 90;  

COD ID: 1570590
CIF file Formula: - O13 Rb3 V -
Comments: Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May Implementing vanadium peroxides as direct air carbon capture materials. Chemical science 15(5) (2024) 1700-1713
Space group: P 1 21/n 1
Cell volume: 1153.65
Cell parameters: 6.8447; 23.2894; 7.8276; 90; 112.399; 90;  

COD ID: 1570591
CIF file Formula: - C31 H33 N3 O4 -
Comments: Waly, Sara M. A.; Benniston, Andrew C.; Harriman, Anthony Deducing the conformational space for an octa-proline helix. Chemical science 15(5) (2024) 1657-1671
Space group: P 1 21 1
Cell volume: 1311.55
Cell parameters: 10.3503; 8.7745; 14.9164; 90; 104.498; 90;  

COD ID: 1570592
CIF file Formula: - C17 H14 F2 -
Comments: Chakrabarti, Kaushik; Wade Wolfe, Michael M.; Guo, Shuo; Tucker, Joseph W.; Lee, Jisun; Szymczak, Nathaniel K. A metal-free strategy to construct fluoroalkyl-olefin linkages using fluoroalkanes. Chemical science 15(5) (2024) 1752-1757
Space group: P 21 21 21
Cell volume: 1272.88
Cell parameters: 8.6715; 9.651; 15.2097; 90; 90; 90;  

COD ID: 1570594
CIF file Formula: - Al22.53 Ru7 Si -
Comments: Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin Materials Transactions 65(1) (2024) 18-26
Space group: C c c a :2
Cell volume: 3729.36
Cell parameters: 15.4579; 15.5609; 15.5042; 90; 90; 90;  

COD ID: 1570595
CIF file Formula: - Al22.43 Ru6.88 Si1.79 -
Comments: Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin Materials Transactions 65(1) (2024) 18-26
Space group: P m -3
Cell volume: 466.386
Cell parameters: 7.755; 7.755; 7.755; 90; 90; 90;  

COD ID: 1570596
CIF file Formula: - Al85.85 Ru23 Si11.1 -
Comments: Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin Materials Transactions 65(1) (2024) 18-26
Space group: P 63/m m c
Cell volume: 3687.19
Cell parameters: 12.62636; 12.62636; 26.70599; 90; 90; 120;  

COD ID: 1570597
CIF file Formula: - C52 H64 F3 Fe Mn N7 O7 P3 S -
Comments: Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S. Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites. Chemical science 15(8) (2024) 2817-2826
Space group: P -1
Cell volume: 5443.2
Cell parameters: 14.8784; 17.2401; 21.4396; 90.821; 90.355; 98.1446;  

COD ID: 1570598
CIF file Formula: - C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -
Comments: Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S. Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites. Chemical science 15(8) (2024) 2817-2826
Space group: P -1
Cell volume: 3160.3
Cell parameters: 14.5521; 15.0662; 16.7358; 70.9679; 65.6681; 82.915;  

COD ID: 1570599
CIF file Formula: - C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -
Comments: Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S. Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites. Chemical science 15(8) (2024) 2817-2826
Space group: P 1 21/c 1
Cell volume: 6658.1
Cell parameters: 16.7414; 14.8414; 26.8159; 90; 92.1641; 90;  

COD ID: 1570601
CIF file Formula: - C15 H21 B Cl I O2 -
Comments: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes. Chemical science 15(5) (2024) 1672-1678
Space group: P n a 21
Cell volume: 1765.53
Cell parameters: 14.7648; 11.9997; 9.965; 90; 90; 90;  

COD ID: 1570602
CIF file Formula: - C21 H33 B O2 Si -
Comments: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes. Chemical science 15(5) (2024) 1672-1678
Space group: P -1
Cell volume: 2244.36
Cell parameters: 9.2744; 11.9893; 21.6544; 98.33; 102.067; 103.257;  

COD ID: 1570603
CIF file Formula: - C23 H29 B O4 -
Comments: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes. Chemical science 15(5) (2024) 1672-1678
Space group: P 1 21/n 1
Cell volume: 2126.2
Cell parameters: 6.3808; 12.5531; 26.558; 90; 91.822; 90;  

COD ID: 1570604
CIF file Formula: - C24 H31 B O2 -
Comments: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes. Chemical science 15(5) (2024) 1672-1678
Space group: P 1 21/c 1
Cell volume: 4248.8
Cell parameters: 12.9545; 20.8834; 16.8105; 90; 110.893; 90;  

COD ID: 1570605
CIF file Formula: - C24 H35 B O2 Si -
Comments: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes. Chemical science 15(5) (2024) 1672-1678
Space group: P 1 21/c 1
Cell volume: 2370.71
Cell parameters: 11.8688; 17.6865; 12.6092; 90; 116.407; 90;  

COD ID: 1570606
CIF file Formula: - C27 H35 B Fe O2 -
Comments: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes. Chemical science 15(5) (2024) 1672-1678
Space group: P -1
Cell volume: 1205.26
Cell parameters: 9.8635; 11.6173; 12.5223; 100.723; 106.987; 111.523;  

COD ID: 1570607
CIF file

Original IUCr paper

 Formula: - Na0.23 O2.17 Si1.04 -
Comments: Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials. IUCrJ 11(Pt 1) (2024) 62-72
Space group: F d -3 m :2
Cell volume: 15625
Cell parameters: 25; 25; 25; 90; 90; 90;  

COD ID: 1570608
CIF file Formula: - Na21.6 O201.92 Si96 -
Comments: Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials. IUCrJ 11(Pt 1) (2024) 62-72
Space group: F d -3 m :2
Cell volume: 15625
Cell parameters: 25; 25; 25; 90; 90; 90;  

COD ID: 1570609
CIF file Formula: - Na156 O2880 Si1440 -
Comments: Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials. IUCrJ 11(Pt 1) (2024) 62-72
Space group: I -4 3 m
Cell volume: 81008
Cell parameters: 43.269; 43.269; 43.269; 90; 90; 90;  

COD ID: 1570610
CIF file Formula: - C72 H109 Ag14 Cl O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6826.8
Cell parameters: 16.3155; 16.3155; 29.6131; 90; 90; 120;  

COD ID: 1570611
CIF file Formula: - C72 H109 Ag14 Cl O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6825.3
Cell parameters: 16.3057; 16.3057; 29.6423; 90; 90; 120;  

COD ID: 1570612
CIF file Formula: - C72 H109 Ag14 Cl O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6804.7
Cell parameters: 16.3356; 16.3356; 29.4449; 90; 90; 120;  

COD ID: 1570613
CIF file Formula: - C75 H118 Ag14 Cl O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6642.3
Cell parameters: 16.1523; 16.1523; 29.3979; 90; 90; 120;  

COD ID: 1570614
CIF file Formula: - C72 H108 Ag14 B Cl F4 -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 7067
Cell parameters: 16.541; 16.541; 29.8249; 90; 90; 120;  

COD ID: 1570615
CIF file Formula: - C72 H109 Ag14 Cl O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6997
Cell parameters: 16.438; 16.438; 29.9; 90; 90; 120;  

COD ID: 1570616
CIF file Formula: - C72 H109 Ag14 F O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6431.3
Cell parameters: 21.8992; 21.8992; 15.485; 90; 90; 120;  

COD ID: 1570617
CIF file Formula: - C72 H109 Ag14 Cl O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6471.9
Cell parameters: 21.8873; 21.8873; 15.5998; 90; 90; 120;  

COD ID: 1570618
CIF file Formula: - C72 H109 Ag14 Br O -
Comments: Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters. Nanoscale 16(5) (2024) 2662-2671
Space group: R -3 :H
Cell volume: 6459
Cell parameters: 21.96; 21.96; 15.4656; 90; 90; 120;  

COD ID: 1570619
CIF file Formula: - C3.39 H4.36 Mn0.12 N0.36 O0.24 -
Comments: Mahato, Samyadeb; VandeVen, Warren; MacNeil, Gregory A.; Pulfer, Jason M.; Storr, Tim Untangling ancillary ligand donation <i>versus</i> locus of oxidation effects on metal nitride reactivity. Chemical science 15(6) (2024) 2211-2220
Space group: P 1 21/n 1
Cell volume: 2544.8
Cell parameters: 13.155; 12.7828; 15.378; 90; 100.227; 90;  

COD ID: 1570620
CIF file Formula: - C60.33 H36.33 O64.66 Zr12 -
Comments: Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids. Chemical science 15(4) (2024) 1441-1448
Space group: P -3 1 m
Cell volume: 6218.3
Cell parameters: 26.659; 26.659; 10.103; 90; 90; 120;  

COD ID: 1570621
CIF file Formula: - C29 H18 F3 N -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P 42/n :2
Cell volume: 4305.78
Cell parameters: 22.8051; 22.8051; 8.2792; 90; 90; 90;  

COD ID: 1570622
CIF file Formula: - C38 H39 N -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P -1
Cell volume: 1450.31
Cell parameters: 10.9754; 12.115; 12.3347; 116.431; 95.048; 94.47;  

COD ID: 1570623
CIF file Formula: - C94 H90 N2 -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P 1 21/n 1
Cell volume: 6814.1
Cell parameters: 27.4355; 7.9543; 31.2422; 90; 91.937; 90;  

COD ID: 1570624
CIF file Formula: - C64 H42 N2 -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P 1 21/n 1
Cell volume: 4360.59
Cell parameters: 15.719; 8.3643; 33.8437; 90; 101.487; 90;  

COD ID: 1570625
CIF file Formula: - C18 H19 N0.5 -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P 1 21/c 1
Cell volume: 2840.61
Cell parameters: 15.0249; 11.6534; 16.3566; 90; 97.312; 90;  

COD ID: 1570626
CIF file Formula: - C52 H42 -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P -1
Cell volume: 2166.5
Cell parameters: 12.0253; 14.285; 15.2395; 63.792; 67.462; 77.789;  

COD ID: 1570627
CIF file Formula: - C58 H45 Cl2 N -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P -1
Cell volume: 2138.07
Cell parameters: 10.381; 14.348; 15.6103; 94.929; 102.901; 107.046;  

COD ID: 1570628
CIF file Formula: - C44 H26 Cl6 S -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P 1 21/c 1
Cell volume: 3596.33
Cell parameters: 12.2354; 14.2615; 20.8253; 90; 98.248; 90;  

COD ID: 1570629
CIF file Formula: - C84 H92 S2 -
Comments: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones. Chemical science 15(6) (2024) 2112-2117
Space group: P 1 21/c 1
Cell volume: 6758.6
Cell parameters: 22.0314; 12.4409; 26.6247; 90; 112.159; 90;  

COD ID: 1570630
CIF file Formula: - C16 H17 N O2 -
Comments: Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions Catalysis Science & Technology 14(2) (2024) 478-488
Space group: P 21 21 21
Cell volume: 1341.1
Cell parameters: 5.23281; 11.33461; 22.611; 90; 90; 90;  

COD ID: 1570631
CIF file Formula: - C17 H19 N O2 -
Comments: Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions Catalysis Science & Technology 14(2) (2024) 478-488
Space group: P 1 21 1
Cell volume: 2890.81
Cell parameters: 5.4042; 22.6075; 23.7568; 90; 95.144; 90;  

COD ID: 1570632
CIF file Formula: - C39 H41 Cu Ge N2 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P -1
Cell volume: 1685.35
Cell parameters: 10.65; 11.2963; 15.0976; 111.368; 93.137; 92.33;  

COD ID: 1570633
CIF file Formula: - C40 H43 Cu Ge N2 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P 1 21/n 1
Cell volume: 3481.76
Cell parameters: 8.9616; 19.7494; 20.04; 90; 100.99; 90;  

COD ID: 1570634
CIF file Formula: - C40 H46 Cu N3 O -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P c a 21
Cell volume: 3594.46
Cell parameters: 16.2264; 10.8168; 20.4792; 90; 90; 90;  

COD ID: 1570635
CIF file Formula: - C92 H102 Cu2 Ge2 N4 S4 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P -1
Cell volume: 4233.9
Cell parameters: 13.1905; 18.6418; 20.1369; 66.024; 81.401; 69.363;  

COD ID: 1570636
CIF file Formula: - C50 H60 Cu Ge N3 S -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P 1 21/c 1
Cell volume: 4516.96
Cell parameters: 10.22373; 20.07164; 22.27774; 90; 98.8634; 90;  

COD ID: 1570637
CIF file Formula: - C53 H57 Cu Ge N2 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P 1 21/n 1
Cell volume: 4549.63
Cell parameters: 12.3095; 19.8911; 18.5854; 90; 91.1959; 90;  

COD ID: 1570638
CIF file Formula: - C90 H102 Cu2 Ge2 N4 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P -1
Cell volume: 4051.84
Cell parameters: 11.0264; 19.2655; 20.3965; 86.283; 77.281; 73.472;  

COD ID: 1570639
CIF file Formula: - C53 H57 Cu Ge N2 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P 1 21/n 1
Cell volume: 4581.74
Cell parameters: 14.9501; 19.7103; 16.1176; 90; 105.269; 90;  

COD ID: 1570640
CIF file Formula: - C59 H57 Cu Ge N4 O2 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P 1 21/n 1
Cell volume: 4965.4
Cell parameters: 11.48162; 30.4535; 14.25277; 90; 94.8925; 90;  

COD ID: 1570641
CIF file Formula: - C46 H55 Cu Ge N2 -
Comments: Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J. The structures and reactivity of NHC-supported copper(i) triphenylgermyls Chemical Science 15(2) (2024) 584-593
Space group: P 21 21 21
Cell volume: 4076.26
Cell parameters: 12.0126; 17.1438; 19.7933; 90; 90; 90;  

COD ID: 1570642
CIF file Formula: - C20 H26 O12 Ti2 -
Comments: Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion. Chemical science 15(7) (2024) 2655-2664
Space group: P 1 21/c 1
Cell volume: 1145
Cell parameters: 9.0139; 14.186; 8.9545; 90; 90.487; 90;  

COD ID: 1570643
CIF file Formula: - C134 H100 O58 Ti16 -
Comments: Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion. Chemical science 15(7) (2024) 2655-2664
Space group: P -1
Cell volume: 3417.2
Cell parameters: 15.114; 16.444; 17.284; 63.041; 64.513; 71.596;  

COD ID: 1570644
CIF file Formula: - C154 H136 O56 Ti16 -
Comments: Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion. Chemical science 15(7) (2024) 2655-2664
Space group: P -1
Cell volume: 3814.6
Cell parameters: 16.79; 16.977; 17.003; 113.206; 113.379; 98.474;  

COD ID: 1570645
CIF file Formula: - C72 H79 O29 Ti8 -
Comments: Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion. Chemical science 15(7) (2024) 2655-2664
Space group: P -1
Cell volume: 4189.1
Cell parameters: 13.7327; 14.2235; 23.4194; 87.685; 89.986; 66.441;  

COD ID: 1570646
CIF file Formula: - C59 H13 F25 N4 O S2 -
Comments: Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands. Chemical science 15(6) (2024) 2047-2054
Space group: P -1
Cell volume: 2697
Cell parameters: 9.774; 14.769; 18.881; 95.08; 95.96; 92.17;  

COD ID: 1570647
CIF file Formula: - C77 H27 Cl F25 N4 O P Pd S2 -
Comments: Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands. Chemical science 15(6) (2024) 2047-2054
Space group: P -1
Cell volume: 4738.3
Cell parameters: 16.9156; 17.3251; 19.0029; 70.416; 65.162; 76.985;  

COD ID: 1570648
CIF file Formula: - C59 H11 F25 N4 O Pd S2 -
Comments: Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands. Chemical science 15(6) (2024) 2047-2054
Space group: P -1
Cell volume: 3292.5
Cell parameters: 12.633; 16.87; 18.51; 113.418; 96.893; 108.505;  

COD ID: 1570649
CIF file Formula: - C52 H12 F20 N4 O Pd S2 -
Comments: Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands. Chemical science 15(6) (2024) 2047-2054
Space group: P -1
Cell volume: 5067.6
Cell parameters: 17.633; 18.145; 19.027; 104.695; 103.672; 112.112;  

COD ID: 1570650
CIF file Formula: - C87 H36 F25 N6 O P Pd2 S2 -
Comments: Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands. Chemical science 15(6) (2024) 2047-2054
Space group: P -1
Cell volume: 3866
Cell parameters: 14.977; 16.782; 16.991; 106.814; 90.699; 107.905;  

COD ID: 1570693
CIF file Formula: - C22 H23 B F N O2 -
Comments: Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>. Chemical science 15(6) (2024) 2236-2242
Space group: P 1 21/n 1
Cell volume: 1936.1
Cell parameters: 9.8733; 11.5417; 17.0581; 90; 95.13; 90;  

COD ID: 1570694
CIF file Formula: - C23 H26 B N O2 -
Comments: Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>. Chemical science 15(6) (2024) 2236-2242
Space group: P -1
Cell volume: 1014.75
Cell parameters: 7.0732; 12.8154; 12.8838; 109.101; 103.862; 102.475;  

COD ID: 1570695
CIF file Formula: - C20 H28 B N O2 -
Comments: Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>. Chemical science 15(6) (2024) 2236-2242
Space group: P 1 21/c 1
Cell volume: 1926.03
Cell parameters: 14.9832; 9.6904; 13.4858; 90; 100.376; 90;  

COD ID: 1570696
CIF file Formula: - C22 H24 B N O2 -
Comments: Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>. Chemical science 15(6) (2024) 2236-2242
Space group: P -1
Cell volume: 1123.73
Cell parameters: 10.1597; 10.2937; 11.2498; 79.933; 89.723; 76.12;  

COD ID: 1570697
CIF file Formula: - C22 H24 B N O2 -
Comments: Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>. Chemical science 15(6) (2024) 2236-2242
Space group: P -1
Cell volume: 949.7
Cell parameters: 9.6547; 10.2621; 10.6861; 102.169; 105.217; 103.684;  

COD ID: 1570698
CIF file Formula: - C32 H27 F2 N3 O -
Comments: Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling. Chemical science 15(6) (2024) 2205-2210
Space group: C 1 c 1
Cell volume: 2567.6
Cell parameters: 14.9152; 9.8681; 18.7455; 90; 111.468; 90;  

COD ID: 1570699
CIF file Formula: - C33 H31 F2 N3 O2 -
Comments: Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling. Chemical science 15(6) (2024) 2205-2210
Space group: P 1 21/n 1
Cell volume: 2761.2
Cell parameters: 10.1447; 26.4984; 10.7233; 90; 106.691; 90;  

COD ID: 1570700
CIF file Formula: - C19 H26 N Ni O -
Comments: Tian, Wanlu; Li, Chao; Tan, Chen; Chen, Min Lewis acid-induced homo- and heterogeneous nickel catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry 15(7) (2024) 631-638
Space group: I 41/a :2
Cell volume: 18634
Cell parameters: 32.828; 32.828; 17.2912; 90; 90; 90;  

COD ID: 1570701
CIF file Formula: - C34 H19 B -
Comments: Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission. Chemical science 15(8) (2024) 2984-2989
Space group: P 1 2/c 1
Cell volume: 2070.5
Cell parameters: 20.652; 4.902; 21.645; 90; 109.11; 90;  

COD ID: 1570702
CIF file Formula: - C34 H19 B -
Comments: Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission. Chemical science 15(8) (2024) 2984-2989
Space group: R 3 :H
Cell volume: 4988.2
Cell parameters: 34.63; 34.63; 4.803; 90; 90; 120;  

COD ID: 1570703
CIF file Formula: - C88 H64 B N3 O4 -
Comments: Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission. Chemical science 15(8) (2024) 2984-2989
Space group: P 1 21/c 1
Cell volume: 6264
Cell parameters: 26.86; 14.399; 16.935; 90; 106.99; 90;  

COD ID: 1570704
CIF file

Original IUCr paper

 Formula: - C9 H10 O Te -
Comments: Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas 5,6-Dimethylbenzo[d][1,3]oxatellurole IUCrData 9(1) (2024)
Space group: P 21 21 2
Cell volume: 1680.4
Cell parameters: 13.6947; 23.467; 5.2287; 90; 90; 90;  

COD ID: 1570705
CIF file

Original IUCr paper

 Formula: - C5 H10 O3 -
Comments: Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard rac-Hydroxyisovaleric acid IUCrData 9(1) (2024)
Space group: P b c a
Cell volume: 1300.86
Cell parameters: 10.9589; 9.328; 12.7255; 90; 90; 90;  

COD ID: 1570723
CIF file Formula: - As2 Ca5 Fe2.38 O11 Sc1.62 Ti2.4 -
Comments: Simura, R.; Yatsu, Y.; Sakai, N.; Yamane, H.; Ogino, H. Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11 Journal of the Ceramic Society of Japan 132 (2024) 34-37
Space group: I 4/m m m
Cell volume: 626.85
Cell parameters: 3.8964; 3.8964; 41.289; 90; 90; 90;  

COD ID: 1570724
CIF file Formula: - C22 H23 Br N2 O2 S -
Comments: Bulger, Ana S.; Nasrallah, Daniel J.; Tena Meza, Arismel; Garg, Neil K. Enantioselective nickel-catalyzed Mizoroki-Heck cyclizations of amide electrophiles. Chemical science 15(7) (2024) 2593-2600
Space group: P 1 21 1
Cell volume: 2115.65
Cell parameters: 9.5459; 19.1854; 11.5679; 90; 93.009; 90;  

COD ID: 1570745
CIF file Formula: - C55 H63 Ge N2 P Si -
Comments: Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides. Chemical science 15(7) (2024) 2391-2397
Space group: P 1 21/n 1
Cell volume: 4761.1
Cell parameters: 17.1513; 13.5641; 20.7152; 90; 98.907; 90;  

COD ID: 1570746
CIF file Formula: - C63 H79 N2 O2 P Si Sn -
Comments: Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides. Chemical science 15(7) (2024) 2391-2397
Space group: P 1 21 1
Cell volume: 2831
Cell parameters: 12.462; 15.316; 14.954; 90; 97.32; 90;  

COD ID: 1570747
CIF file Formula: - C66 H79 Ge N2 O2 P Si -
Comments: Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides. Chemical science 15(7) (2024) 2391-2397
Space group: P 1 21/n 1
Cell volume: 6112
Cell parameters: 10.922; 20.846; 26.946; 90; 94.951; 90;  

COD ID: 1570748
CIF file Formula: - C59 H73 Ge N2 O P5 Si -
Comments: Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides. Chemical science 15(7) (2024) 2391-2397
Space group: P -1
Cell volume: 2831.2
Cell parameters: 13.13; 13.51; 17.559; 91.771; 105.725; 107.874;  

COD ID: 1570749
CIF file Formula: - C243 H359 B2 Cl21 Cu58 F8 P8 S24 -
Comments: Das, Anish Kumar; Biswas, Sourav; Pal, Amit; Manna, Surya Sekhar; Sardar, Avirup; Mondal, Pradip Kumar; Sahoo, Basudev; Pathak, Biswarup; Mandal, Sukhendu A thiolated copper-hydride nanocluster with chloride bridging as a catalyst for carbonylative C-N coupling of aryl amines under mild conditions: a combined experimental and theoretical study. Nanoscale 16(7) (2024) 3583-3590
Space group: P -1
Cell volume: 18149
Cell parameters: 24.596; 28.305; 29.247; 64.888; 81.085; 81.878;  

COD ID: 1570750
CIF file Formula: - C13 H21 N3 S -
Comments: Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide IUCrData 9(1) (2024)
Space group: P -1
Cell volume: 1385.51
Cell parameters: 7.9583; 11.2703; 16.008; 83.0428; 86.9392; 76.5236;  

COD ID: 1570759
CIF file Formula: - C120 H104 Cu4 N12 O38 -
Comments: Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A. Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method. Chemical science 15(8) (2024) 2857-2866
Space group: P 1 21/n 1
Cell volume: 8238.82
Cell parameters: 19.7309; 16.8006; 24.9013; 90; 93.538; 90;  

COD ID: 1570760
CIF file Formula: - C148.66 H167.11 Cu4 N18.66 O46.56 -
Comments: Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A. Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method. Chemical science 15(8) (2024) 2857-2866
Space group: P 1 21/n 1
Cell volume: 8320.43
Cell parameters: 19.9031; 16.7668; 24.9964; 90; 94.081; 90;  

COD ID: 1570761
CIF file Formula: - C151.32 H173.29 Cu4 N18.66 O46.56 -
Comments: Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A. Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method. Chemical science 15(8) (2024) 2857-2866
Space group: P 1 21/n 1
Cell volume: 8389.74
Cell parameters: 19.9329; 16.7488; 25.2197; 90; 94.831; 90;  

COD ID: 1570762
CIF file Formula: - C138.88 H142.27 Cu4 N15.16 O44.67 -
Comments: Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A. Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method. Chemical science 15(8) (2024) 2857-2866
Space group: P 1 21/n 1
Cell volume: 8486.15
Cell parameters: 19.834; 16.8359; 25.5694; 90; 96.331; 90;  

COD ID: 1570763
CIF file Formula: - C22 H15 N O3 S -
Comments: Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science 15(8) (2024) 2827-2832
Space group: P 1 21/n 1
Cell volume: 1774.1
Cell parameters: 10.854; 10.173; 16.146; 90; 95.651; 90;  

COD ID: 1570764
CIF file Formula: - C22 H15 N O3 S -
Comments: Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science 15(8) (2024) 2827-2832
Space group: P -1
Cell volume: 869.6
Cell parameters: 8.9567; 10.129; 11.0747; 115.736; 95.407; 101.18;  

COD ID: 1570765
CIF file Formula: - C22 H15 N O3 S -
Comments: Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science 15(8) (2024) 2827-2832
Space group: C 1 2/c 1
Cell volume: 3491.1
Cell parameters: 13.7479; 17.9258; 14.2154; 90; 94.773; 90;  

COD ID: 1570766
CIF file Formula: - C22 H15 N O3 S -
Comments: Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science 15(8) (2024) 2827-2832
Space group: P -1
Cell volume: 859.28
Cell parameters: 8.9045; 10.4068; 11.071; 63.033; 71.405; 75.259;  

COD ID: 1570767
CIF file Formula: - C21 H13 N O4 S -
Comments: Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides. Chemical science 15(8) (2024) 2827-2832
Space group: P 1 21/n 1
Cell volume: 1716.8
Cell parameters: 8.086; 5.5939; 38.073; 90; 94.504; 90;  

COD ID: 1570768
CIF file Formula: - C44 H50 O2 S4 -
Comments: Mohanan, Manikandan; Zhang, Xinran; Gavvalapalli, Nagarjuna π-Face strapped monomers enable self-stabilized hyperbranched π-conjugated polymer particles Polymer Chemistry 15(5) (2024) 422-430
Space group: P -1
Cell volume: 2947.43
Cell parameters: 9.6958; 17.1453; 18.5627; 85.106; 77.072; 78.794;  

COD ID: 1570769
CIF file Formula: - C130 H148 Cl4 Cu4 N16 -
Comments: Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G. Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy. Chemical science 15(7) (2024) 2380-2390
Space group: I 41
Cell volume: 5631.4
Cell parameters: 10.8836; 10.8836; 47.541; 90; 90; 90;  

COD ID: 1570770
CIF file Formula: - C21 H26 N2 O4 Si -
Comments: Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science 15(7) (2024) 2648-2654
Space group: P 21 21 21
Cell volume: 2122.52
Cell parameters: 9.9467; 10.7574; 19.8365; 90; 90; 90;  

COD ID: 1570771
CIF file Formula: - C19 H26 N2 O3 Si -
Comments: Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science 15(7) (2024) 2648-2654
Space group: C 1 c 1
Cell volume: 4088.3
Cell parameters: 15.3631; 11.8472; 22.4626; 90; 90.492; 90;  

COD ID: 1570772
CIF file Formula: - C32 H13 B F15 N O -
Comments: Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science 15(7) (2024) 2648-2654
Space group: P 1 21/c 1
Cell volume: 2840.9
Cell parameters: 13.0639; 11.4369; 19.0593; 90; 93.949; 90;  

COD ID: 1570773
CIF file Formula: - C32 H13 B F15 N O -
Comments: Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science 15(7) (2024) 2648-2654
Space group: P 1 21/c 1
Cell volume: 2851.55
Cell parameters: 18.4252; 8.0582; 20.1712; 90; 107.799; 90;  

COD ID: 1570774
CIF file Formula: - C31 H11 B F15 N O -
Comments: Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>. Chemical science 15(7) (2024) 2648-2654
Space group: P -1
Cell volume: 1381.1
Cell parameters: 9.0442; 9.8687; 16.26; 83.784; 80.686; 75.18;  

COD ID: 1570778
CIF file

Original IUCr paper

 Formula: - C14 H12 Cl2 N2 O2 Zn -
Comments: Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A. Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II) IUCrData 9(1) (2024)
Space group: C 1 2/c 1
Cell volume: 1392.36
Cell parameters: 14.7877; 9.9287; 9.523; 90; 95.233; 90;  

COD ID: 1570779
CIF file

Original IUCr paper

 Formula: - C18 H26 Cl2 N2 Pd -
Comments: Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II) IUCrData 9(1) (2024)
Space group: P 21 21 21
Cell volume: 2078.98
Cell parameters: 6.5385; 16.7263; 19.0096; 90; 90; 90;  

COD ID: 1570780
CIF file Formula: - Ba2 F31 K3 Zr6 -
Comments: Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters. Chemical science 15(8) (2024) 2883-2888
Space group: P 63 c m
Cell volume: 1183.87
Cell parameters: 9.4435; 9.4435; 15.3288; 90; 90; 120;  

COD ID: 1570781
CIF file Formula: - C78 H65 Cl F6 P5 Pd3 Sb -
Comments: Jeddi, Neda; Scott, Neil W. J.; Tanner, Theo; Beaumont, Simon K.; Fairlamb, Ian J. S. Evidence for Suzuki-Miyaura cross-couplings catalyzed by ligated Pd<sub>3</sub>-clusters: from cradle to grave. Chemical science 15(8) (2024) 2763-2777
Space group: P 1 21/c 1
Cell volume: 6950.78
Cell parameters: 15.28922; 16.70934; 27.2586; 90; 93.5087; 90;  

COD ID: 1570782
CIF file Formula: - C17 H10 Br N O3 -
Comments: He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao Nitrogen atom insertion into arenols to access benzazepines. Chemical science 15(7) (2024) 2612-2617
Space group: P 1 21/c 1
Cell volume: 1471.45
Cell parameters: 5.4496; 20.6183; 13.2918; 90; 99.854; 90;  

COD ID: 1570783
CIF file Formula: - C21 H15 N O3 -
Comments: He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao Nitrogen atom insertion into arenols to access benzazepines. Chemical science 15(7) (2024) 2612-2617
Space group: P 1 21/n 1
Cell volume: 1594.73
Cell parameters: 7.762; 12.9308; 15.9453; 90; 94.829; 90;  

COD ID: 1570784
CIF file Formula: - C15 H12 N2 O3 -
Comments: He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao Nitrogen atom insertion into arenols to access benzazepines. Chemical science 15(7) (2024) 2612-2617
Space group: P 1 21/n 1
Cell volume: 1252.78
Cell parameters: 7.7369; 9.7927; 16.8291; 90; 100.727; 90;  

COD ID: 1570785
CIF file Formula: - C22 H27 Cu F15 P -
Comments: Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes. Chemical science 15(8) (2024) 2990-2995
Space group: P 1 21/n 1
Cell volume: 2638.06
Cell parameters: 9.2818; 14.7927; 19.3153; 90; 95.886; 90;  

COD ID: 1570786
CIF file Formula: - C22 H27 Ag F15 P -
Comments: Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes. Chemical science 15(8) (2024) 2990-2995
Space group: P -1
Cell volume: 1343.2
Cell parameters: 9.4791; 10.7301; 14.7059; 90.169; 90.23; 116.097;  

COD ID: 1570787
CIF file Formula: - C22 H27 Au F15 P -
Comments: Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes. Chemical science 15(8) (2024) 2990-2995
Space group: P -1
Cell volume: 2679.07
Cell parameters: 10.7338; 17.1617; 17.323; 112.222; 102.595; 104.552;  

COD ID: 1570788
CIF file Formula: - C39 H63 Nd -
Comments: Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy. Chemical science 15(8) (2024) 3003-3010
Space group: P 1 21/n 1
Cell volume: 3630.28
Cell parameters: 10.7938; 19.4422; 17.8596; 90; 104.394; 90;  

COD ID: 1570789
CIF file Formula: - C39 H63 La -
Comments: Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy. Chemical science 15(8) (2024) 3003-3010
Space group: P -1
Cell volume: 3662.9
Cell parameters: 10.7001; 18.4935; 19.7113; 83.299; 77.365; 74.64;  

COD ID: 1570790
CIF file Formula: - C136 H198 Mn4 N8 O9 P8 -
Comments: Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis. Chemical science 15(7) (2024) 2571-2577
Space group: P 1 21/c 1
Cell volume: 3354.94
Cell parameters: 10.4236; 17.9728; 17.9093; 90; 90.648; 90;  

COD ID: 1570791
CIF file Formula: - C34 H49 Mn N2 O2 P2 -
Comments: Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis. Chemical science 15(7) (2024) 2571-2577
Space group: P 1 21 1
Cell volume: 3380
Cell parameters: 9.5026; 16.911; 21.3649; 90; 100.11; 90;  

COD ID: 1570792
CIF file Formula: - Lu Na O6 Se2 -
Comments: Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation. Materials horizons 11(7) (2024) 1704-1709
Space group: P n a 21
Cell volume: 574.18
Cell parameters: 12.718; 8.3994; 5.375; 90; 90; 90;  

COD ID: 1570793
CIF file Formula: - C85 H94 B N5 -
Comments: Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring. Chemical science 15(9) (2024) 3148-3154
Space group: P -1
Cell volume: 3812.69
Cell parameters: 13.9175; 14.8192; 19.2412; 89.702; 77.628; 79.792;  

COD ID: 1570794
CIF file Formula: - C36 H49 Ag N2 O -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: P 1 21/c 1
Cell volume: 3358.75
Cell parameters: 10.681; 13.7656; 22.8895; 90; 93.616; 90;  

COD ID: 1570795
CIF file Formula: - C33.5 H39 Ag N2 -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: P -1
Cell volume: 1498.5
Cell parameters: 10.1212; 11.216; 14.9017; 109.269; 90.061; 109.016;  

COD ID: 1570796
CIF file Formula: - C30 H37 Ag N2 -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: P b c a
Cell volume: 5259.2
Cell parameters: 15.7456; 16.8545; 19.8172; 90; 90; 90;  

COD ID: 1570797
CIF file Formula: - C22 H29 Ag N2 -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: P 1 21/n 1
Cell volume: 4135.5
Cell parameters: 17.3928; 14.3855; 17.9551; 90; 112.995; 90;  

COD ID: 1570798
CIF file Formula: - C33 H53 Ag N2 O4 Si -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: P 1 21/n 1
Cell volume: 3439.2
Cell parameters: 11.1099; 16.5691; 19.2966; 90; 104.487; 90;  

COD ID: 1570799
CIF file Formula: - C33 H51 Ag N2 O4 Si -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: P 1 21/n 1
Cell volume: 3434.31
Cell parameters: 11.1581; 16.6129; 19.1762; 90; 104.952; 90;  

COD ID: 1570800
CIF file Formula: - C27 H44 Ag N3 Si2 -
Comments: Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe <sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials. Chemical science 15(8) (2024) 3028-3032
Space group: F d d 2
Cell volume: 12656
Cell parameters: 20.852; 44.031; 13.785; 90; 90; 90;  

COD ID: 1570801
CIF file Formula: - C26 H38 O6 -
Comments: Yan, Dexiu; Matsuda, Yudai Global genome mining-driven discovery of an unusual biosynthetic logic for fungal polyketide-terpenoid hybrids. Chemical science 15(8) (2024) 3011-3017
Space group: P 1
Cell volume: 1202
Cell parameters: 9.061; 11.978; 12.657; 107.62; 110.74; 93.69;  

COD ID: 1570802
CIF file Formula: - C18 H11 N O -
Comments: Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y. Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells. Chemical science 15(8) (2024) 2778-2785
Space group: C 1 2/c 1
Cell volume: 2423.6
Cell parameters: 21.6821; 5.327; 22.9919; 90; 114.126; 90;  

COD ID: 1570803
CIF file Formula: - C18 H11 N S -
Comments: Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y. Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells. Chemical science 15(8) (2024) 2778-2785
Space group: P n a 21
Cell volume: 2580.46
Cell parameters: 15.7172; 5.2891; 31.0413; 90; 90; 90;  

COD ID: 1570804
CIF file Formula: - C17 H11 N3 O3 -
Comments: Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science 15(9) (2024) 3290-3299
Space group: P 1 21 1
Cell volume: 671.12
Cell parameters: 3.9819; 14.7672; 11.4435; 90; 94.161; 90;  

COD ID: 1570805
CIF file Formula: - C18 H15 N3 O6 S -
Comments: Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science 15(9) (2024) 3290-3299
Space group: P -1
Cell volume: 852.44
Cell parameters: 9.1825; 9.2868; 10.5049; 91.395; 104.674; 99.577;  

COD ID: 1570806
CIF file Formula: - C34 H24 N6 O8 Zn -
Comments: Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science 15(9) (2024) 3290-3299
Space group: P -1
Cell volume: 1461.12
Cell parameters: 7.4257; 13.6826; 15.0095; 80.434; 78.161; 81.361;  

COD ID: 1570807
CIF file Formula: - C34 H22 Co N6 O7 -
Comments: Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science 15(9) (2024) 3290-3299
Space group: P -1
Cell volume: 1432.66
Cell parameters: 10.3354; 10.6777; 13.1615; 97.249; 95.452; 92.065;  

COD ID: 1570808
CIF file Formula: - C16 H11 N3 O2 -
Comments: Lv, Youming; Ye, Hebo; You, Lei Multiple control of azoquinoline based molecular photoswitches. Chemical science 15(9) (2024) 3290-3299
Space group: P 1 21/n 1
Cell volume: 1262.24
Cell parameters: 6.963; 12.2129; 15.0009; 90; 98.316; 90;  

COD ID: 1570809
CIF file

Original IUCr paper

 Formula: - C28 H30 Mn N8 O20 -
Comments: Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M. Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate IUCrData 9(1) (2024)
Space group: P 1 21/n 1
Cell volume: 1695.12
Cell parameters: 7.0419; 19.2513; 12.7175; 90; 100.513; 90;  

COD ID: 1570811
CIF file

Original IUCr paper

 Formula: - C Ni2 Ti4 -
Comments: Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng Crystal structure of Ti4Ni2C IUCrData 9(1) (2024)
Space group: F d -3 m :2
Cell volume: 1451.92
Cell parameters: 11.3235; 11.3235; 11.3235; 90; 90; 90;  

COD ID: 1570812
CIF file Formula: - C4 H12 Br5 F26 N -
Comments: Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian [Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules. Chemical science 15(9) (2024) 3273-3278
Space group: P 21 3
Cell volume: 2400.2
Cell parameters: 13.389; 13.389; 13.389; 90; 90; 90;  

COD ID: 1570813
CIF file Formula: - C50 H51 B F15 K N O4 -
Comments: Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science 15(9) (2024) 3165-3173
Space group: I 1 2/a 1
Cell volume: 10606.9
Cell parameters: 23.8532; 21.0638; 21.3167; 90; 97.97; 90;  

COD ID: 1570814
CIF file Formula: - C42 H32 B F15 N2 O2 -
Comments: Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science 15(9) (2024) 3165-3173
Space group: C 1 c 1
Cell volume: 3712.85
Cell parameters: 11.4874; 20.6397; 15.6705; 90; 92.13; 90;  

COD ID: 1570815
CIF file Formula: - C46 H36 B F15 N2 O2 -
Comments: Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science 15(9) (2024) 3165-3173
Space group: P 1 21/n 1
Cell volume: 4223.62
Cell parameters: 12.0583; 16.6138; 21.2222; 90; 96.569; 90;  

COD ID: 1570816
CIF file Formula: - C43 H37 B Cl2 F15 N O2 -
Comments: Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science 15(9) (2024) 3165-3173
Space group: C 1 2/c 1
Cell volume: 8207
Cell parameters: 32.364; 11.022; 23.039; 90; 93.043; 90;  

COD ID: 1570817
CIF file Formula: - C12 H36 Ga3 Ho -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: I 41/a :2
Cell volume: 8201.7
Cell parameters: 17.6111; 17.6111; 26.4443; 90; 90; 90;  

COD ID: 1570818
CIF file Formula: - C12 H36 Dy Ga3 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: C 1 2/c 1
Cell volume: 2084.8
Cell parameters: 10.8711; 15.7025; 12.4891; 90; 102.07; 90;  

COD ID: 1570819
CIF file Formula: - C35 H58 Al B Ho N7 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: P -1
Cell volume: 2040.7
Cell parameters: 11.8446; 12.0811; 15.8693; 81.388; 80.802; 66.125;  

COD ID: 1570820
CIF file Formula: - C55 H91 B N9 O3 Y -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: P 1 21 1
Cell volume: 2825.6
Cell parameters: 11.4785; 17.511; 14.619; 90; 105.928; 90;  

COD ID: 1570821
CIF file Formula: - C44 H69 B Ho N7 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: P -1
Cell volume: 2252.1
Cell parameters: 10.767; 12.621; 17.188; 77.029; 81.681; 88.061;  

COD ID: 1570822
CIF file Formula: - C38.5 H62 Al0.86 B Dy Ga0.14 N7 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: P 1 21/n 1
Cell volume: 4024.7
Cell parameters: 9.564; 23.328; 18.369; 90; 100.874; 90;  

COD ID: 1570823
CIF file Formula: - C46.5 H71 B Dy N9 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: C 1 2/c 1
Cell volume: 9452.8
Cell parameters: 41.94; 11.5627; 19.9969; 90; 102.894; 90;  

COD ID: 1570824
CIF file Formula: - C43 H68 Al B Ho N7 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: C 1 c 1
Cell volume: 4430.4
Cell parameters: 21.5531; 11.2886; 19.1515; 90; 108.049; 90;  

COD ID: 1570825
CIF file Formula: - C49.5 H76 B Dy N8 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: P 1 21/n 1
Cell volume: 5033.5
Cell parameters: 12.1758; 17.8931; 23.26; 90; 96.643; 90;  

COD ID: 1570826
CIF file Formula: - C46.5 H71 B Ho N9 -
Comments: Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner Terminal dysprosium and holmium organoimides. Chemical science 15(10) (2024) 3562-3570
Space group: C 1 2/c 1
Cell volume: 9453.4
Cell parameters: 41.814; 11.5565; 20.0524; 90; 102.683; 90;  


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