Crystallography Open Database

Search results

Result : There are 631 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

We are displaying first 300 results.

Searching journal of publication like 'Chemical science' volume of publication is 12

COD ID: 1559358
CIF file	Formula: - C55 H40 Cl2 O2 - Comments: Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues. Chemical science 12(2) (2020) 552-558 Space group: P 1 21/c 1 Cell volume: 4129.1 Cell parameters: 14.5132; 21.9543; 12.9943; 90; 94.23; 90;

COD ID: 1559359
CIF file	Formula: - C65 H58 Cl2 Si2 - Comments: Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues. Chemical science 12(2) (2020) 552-558 Space group: P -1 Cell volume: 2571.41 Cell parameters: 11.6467; 13.896; 16.8565; 92.613; 102.408; 104.007;

COD ID: 1559386

CIF file

Formula: - C32 H24 B F4 N -
Comments: Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science 12(2) (2020) 709-717
Space group: P 1 21/c 1
Cell volume: 2551.7
Cell parameters: 12.586; 15.1416; 13.4977; 90; 97.253; 90;

COD ID: 1559387

CIF file

Formula: - C33 H22 B Cl6 F4 N -
Comments: Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science 12(2) (2020) 709-717
Space group: P 1 21/c 1
Cell volume: 3231.15
Cell parameters: 11.07767; 21.641; 13.7711; 90; 101.839; 90;

COD ID: 1559388

CIF file

Formula: - C31 H22 F6 N P -
Comments: Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science 12(2) (2020) 709-717
Space group: P -1
Cell volume: 1278.84
Cell parameters: 8.5484; 11.4387; 13.608; 103.553; 90.551; 98.266;

COD ID: 1559389

CIF file

Formula: - C31 H22 B F4 N -
Comments: Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science 12(2) (2020) 709-717
Space group: P -1
Cell volume: 1191.32
Cell parameters: 8.4537; 11.0248; 13.8145; 108.087; 95.552; 99.64;

COD ID: 1559390

CIF file

Formula: - C32 H22 B F4 N -
Comments: Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science 12(2) (2020) 709-717
Space group: P b c a
Cell volume: 4822.69
Cell parameters: 15.62776; 16.52398; 18.67576; 90; 90; 90;

COD ID: 1559577
CIF file	Formula: - C41 H50 Au B N2 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P -1 Cell volume: 3638.8 Cell parameters: 10.5714; 18.1828; 20.589; 72.838; 89.216; 74.717;

COD ID: 1559578
CIF file	Formula: - C60 H70 Au B N4 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P -1 Cell volume: 2658.95 Cell parameters: 11.951; 12.9306; 18.7852; 96.941; 104.913; 104.703;

COD ID: 1559579
CIF file	Formula: - C48 H60 Au B N4 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: C 1 c 1 Cell volume: 4379.22 Cell parameters: 14.021; 17.7771; 17.7051; 90; 97.0981; 90;

COD ID: 1559580
CIF file	Formula: - C50 H59 Au B N3 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P -1 Cell volume: 4375.21 Cell parameters: 12.3065; 17.99; 20.3257; 83.34; 79.742; 83.084;

COD ID: 1559581
CIF file	Formula: - C59 H68 Au B N4 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P -1 Cell volume: 2553.22 Cell parameters: 11.5634; 12.8016; 18.2287; 86.266; 72.324; 83.521;

COD ID: 1559582
CIF file	Formula: - C102 H122 Au2 B2 Cl2 F2 N4 O2 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P 1 21/n 1 Cell volume: 4621.34 Cell parameters: 10.7485; 22.6769; 19.5737; 90; 104.387; 90;

COD ID: 1559583
CIF file	Formula: - C54 H72 Au B N4 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: C 1 2/c 1 Cell volume: 5126.7 Cell parameters: 12.3058; 26.0004; 16.284; 90; 100.267; 90;

COD ID: 1559584
CIF file	Formula: - C46 H55 Au B N3 - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P -1 Cell volume: 2105.21 Cell parameters: 10.7603; 11.6039; 19.3138; 72.527; 85.454; 66.378;

COD ID: 1559585
CIF file	Formula: - C54 H62 Au B N2 O - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P -1 Cell volume: 2363.27 Cell parameters: 11.8822; 12.58; 17.5818; 99.538; 106.748; 103.924;

COD ID: 1559586
CIF file	Formula: - C63 H78 Au B N4 O - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P 1 21/n 1 Cell volume: 5665.85 Cell parameters: 13.6039; 23.0648; 18.7378; 90; 105.489; 90;

COD ID: 1559587
CIF file	Formula: - C54 H60 Au B N2 O - Comments: Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science 12(3) (2020) 917-928 Space group: P b c a Cell volume: 9258.9 Cell parameters: 18.4407; 23.6412; 21.238; 90; 90; 90;

COD ID: 1559588

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: P 1 2/n 1
Cell volume: 1254.43
Cell parameters: 10.4618; 11.5106; 10.467; 90; 95.605; 90;

COD ID: 1559589

CIF file

Formula: - C16 H8 Au2 Fe N6 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: C 1 2/m 1
Cell volume: 2338.92
Cell parameters: 12.0682; 16.9687; 11.4632; 90; 94.888; 90;

COD ID: 1559590

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: P 1 2/n 1
Cell volume: 1179.51
Cell parameters: 10.2342; 11.269; 10.2384; 90; 92.665; 90;

COD ID: 1559591

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: P 1 2/n 1
Cell volume: 1137.9
Cell parameters: 10.1143; 11.1281; 10.1146; 90; 91.745; 90;

COD ID: 1559592

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: P 1 2/n 1
Cell volume: 1219.37
Cell parameters: 10.3534; 11.3911; 10.3639; 90; 93.954; 90;

COD ID: 1559593

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: I 1 2/a 1
Cell volume: 4815.54
Cell parameters: 14.1982; 22.6765; 14.9567; 90; 90.0258; 90;

COD ID: 1559594

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: P 1 2/n 1
Cell volume: 1139.34
Cell parameters: 10.115; 11.1318; 10.1239; 90; 91.852; 90;

COD ID: 1559595

CIF file

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science 12(4) (2020) 1317-1326
Space group: P 1 2/n 1
Cell volume: 1258.71
Cell parameters: 10.4523; 11.4885; 10.5004; 90; 93.379; 90;

COD ID: 1559596
CIF file	Formula: - C54 H126 Ce2 O6 Si6 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 21/n 1 Cell volume: 3503.8 Cell parameters: 12.6609; 23.0055; 12.7568; 90; 109.44; 90;

COD ID: 1559597
CIF file	Formula: - C42 H108 Ce2 Cl4 N6 O2 Si12 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 21/n 1 Cell volume: 3669 Cell parameters: 10.868; 16.755; 20.149; 90; 90.235; 90;

COD ID: 1559598
CIF file	Formula: - C57 H136 Ce2 N6 O2 Si12 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P -1 Cell volume: 2065.6 Cell parameters: 11.4339; 12.0881; 17.5236; 83.3194; 71.7094; 63.9637;

COD ID: 1559599
CIF file	Formula: - C68 H84 Ce2 N8 O9 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P -1 Cell volume: 3179.3 Cell parameters: 11.859; 14.7713; 19.126; 79.676; 76.075; 81.398;

COD ID: 1559600
CIF file	Formula: - C84 H142 Ce2 N12 O4 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 21/n 1 Cell volume: 4505.1 Cell parameters: 11.7195; 18.0849; 21.3488; 90; 95.3481; 90;

COD ID: 1559601
CIF file	Formula: - C70 H142 Ce2 Cl2 N2 O10 Si6 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: C 1 2/c 1 Cell volume: 8935 Cell parameters: 18.228; 17.588; 28.531; 90; 102.369; 90;

COD ID: 1559602
CIF file	Formula: - C72 H140 Ce2 O12 Si4 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 21/n 1 Cell volume: 4265 Cell parameters: 11.29; 22.03; 17.25; 90; 96.25; 90;

COD ID: 1559603
CIF file	Formula: - C44 H108 Ce2 Cl2 N8 O2 Si12 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: C 1 2/c 1 Cell volume: 8445.6 Cell parameters: 24.8116; 21.794; 17.4764; 90; 116.659; 90;

COD ID: 1559604
CIF file	Formula: - C100 H196 Ce2 O28 Si4 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 21/c 1 Cell volume: 5929.2 Cell parameters: 20.8578; 24.2951; 11.7354; 90; 94.4068; 90;

COD ID: 1559605
CIF file	Formula: - C46 H120 Ce2 N6 O2 Si12 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: C 1 2/c 1 Cell volume: 8534 Cell parameters: 24.645; 22.211; 17.381; 90; 116.237; 90;

COD ID: 1559606
CIF file	Formula: - C91 H103 Ce3 N18 O5 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P -1 Cell volume: 4314.8 Cell parameters: 12.7863; 18.594; 18.631; 102.525; 90.9634; 93.3308;

COD ID: 1559607
CIF file	Formula: - C76 H158 Ce2 Cl4 O12 Si6 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 21/c 1 Cell volume: 4791.2 Cell parameters: 11.2124; 12.5614; 34.289; 90; 97.212; 90;

COD ID: 1559608
CIF file	Formula: - C76 H162 Ce2 O10 Si6 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P -1 Cell volume: 2282 Cell parameters: 11.655; 12.402; 17.499; 92.596; 93.946; 114.855;

COD ID: 1559609
CIF file	Formula: - C97.07 H204.13 Ce2 O30 Si6 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P -1 Cell volume: 3222.7 Cell parameters: 13.7919; 14.0585; 20.0654; 71.904; 81.904; 60.636;

COD ID: 1559610
CIF file	Formula: - C66 H132 Ce2 Co2 D8 N6 O3 Si12 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P 1 2/n 1 Cell volume: 5072.7 Cell parameters: 11.7272; 20.2947; 21.6422; 90; 99.99; 90;

COD ID: 1559611
CIF file	Formula: - C90 H186 Ce2 Cl4 O29 Si6 - Comments: Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science 12(4) (2020) 1343-1351 Space group: P n n a Cell volume: 12320.9 Cell parameters: 22.1584; 41.418; 13.425; 90; 90; 90;

COD ID: 1559612

CIF file

Formula: - C62 H84 N2 O4 -
Comments: Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers. Chemical science 12(2) (2020) 793-802
Space group: P -1
Cell volume: 1339.49
Cell parameters: 9.8347; 12.6226; 12.8064; 118.576; 101.423; 94.672;

COD ID: 1559613

CIF file

Formula: - C60 H86 N2 O8 -
Comments: Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers. Chemical science 12(2) (2020) 793-802
Space group: P 1 21/n 1
Cell volume: 5628
Cell parameters: 15.3311; 23.844; 15.4674; 90; 95.515; 90;

COD ID: 1559615
CIF file	Formula: - C19 H22 N2 O3 S - Comments: Liang, Weida; Cai, Xinpei; Dai, Mingji Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones. Chemical science 12(4) (2020) 1311-1316 Space group: P 1 21/c 1 Cell volume: 1772.5 Cell parameters: 17.0085; 9.896; 10.5439; 90; 92.8684; 90;

COD ID: 1559616

CIF file

Formula: - Bi K3 S3 -
Comments: McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science 12(4) (2020) 1378-1391
Space group: P 21 3
Cell volume: 843.657
Cell parameters: 9.44906; 9.44906; 9.44906; 90; 90; 90;

COD ID: 1559617

CIF file

Formula: - Bi K S2 -
Comments: McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science 12(4) (2020) 1378-1391
Space group: R -3 m :H
Cell volume: 326.124
Cell parameters: 4.128802; 4.128802; 22.09041; 90; 90; 120;

COD ID: 1559618

CIF file

Formula: - Bi K Se2 -
Comments: McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science 12(4) (2020) 1378-1391
Space group: R -3 m :H
Cell volume: 362.682
Cell parameters: 4.264423; 4.264423; 23.02901; 90; 90; 120;

COD ID: 1559619
CIF file	Formula: - C14 H11 N O2 S - Comments: Chen, Pu; Nan, Jiang; Hu, Yan; Kang, Yifan; Wang, Bo; Ma, Yangmin; Szostak, Michal Metal-free tandem carbene N-H insertions and C-C bond cleavages. Chemical science 12(2) (2020) 803-811 Space group: P 1 21/c 1 Cell volume: 1234.15 Cell parameters: 4.7962; 16.1392; 15.9437; 90; 90; 90;

COD ID: 1559635

CIF file

Formula: - C31 H30 N4 O5 S -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: P 1 21/n 1
Cell volume: 2831.92
Cell parameters: 10.14023; 15.89219; 18.23835; 90; 105.522; 90;

COD ID: 1559636

CIF file

Formula: - C32 H33 N3 O2 S -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: I 1 2/a 1
Cell volume: 5444.54
Cell parameters: 18.90952; 10.14583; 28.4275; 90; 93.3559; 90;

COD ID: 1559637

CIF file

Formula: - C32 H33 N3 O2 S -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: P -1
Cell volume: 2710.92
Cell parameters: 10.9678; 15.3212; 17.9064; 111.225; 98.183; 98.485;

COD ID: 1559638

CIF file

Formula: - C26 H25 N3 O2 -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: I b a 2
Cell volume: 4301.43
Cell parameters: 18.50216; 21.27952; 10.92519; 90; 90; 90;

COD ID: 1559639

CIF file

Formula: - C25 H24 N2 -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: P b c a
Cell volume: 3871
Cell parameters: 21.3021; 7.7181; 23.5444; 90; 90; 90;

COD ID: 1559640

CIF file

Formula: - C52 H33 Cl2 N O -
Comments: Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off. Chemical science 12(4) (2020) 1495-1502
Space group: P 1 21/n 1
Cell volume: 3804.8
Cell parameters: 9.2787; 14.567; 28.3208; 90; 96.297; 90;

COD ID: 1559641

CIF file

Formula: - C51 H33 N O -
Comments: Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off. Chemical science 12(4) (2020) 1495-1502
Space group: P -1
Cell volume: 1792.4
Cell parameters: 12.0934; 13.1272; 13.4509; 118.019; 90.255; 105.741;

COD ID: 1559642

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2153.01
Cell parameters: 10.01048; 13.6732; 17.5596; 73.5259; 85.7741; 69.1588;

COD ID: 1559643

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 4176.3
Cell parameters: 13.5851; 18.7551; 19.6424; 64.608; 71.048; 71.168;

COD ID: 1559644

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2136.52
Cell parameters: 9.99242; 13.64829; 17.4977; 73.5796; 85.7654; 69.0385;

COD ID: 1559645

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2090.2
Cell parameters: 9.9614; 13.577; 17.271; 103.019; 94.103; 111.28;

COD ID: 1559646

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2076.54
Cell parameters: 9.9719; 13.5419; 17.0957; 76.716; 85.858; 110.386;

COD ID: 1559647

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2076.34
Cell parameters: 9.9677; 13.5502; 17.0822; 76.876; 85.729; 110.376;

COD ID: 1559648

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2126.23
Cell parameters: 9.9726; 13.6198; 17.4815; 73.5194; 85.7393; 69.1085;

COD ID: 1559649

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2095.3
Cell parameters: 9.9402; 13.5461; 17.384; 73.959; 85.95; 68.735;

COD ID: 1559650

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2105.2
Cell parameters: 10.008; 13.653; 17.13; 76.955; 85.823; 110.551;

COD ID: 1559651

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 4174.4
Cell parameters: 13.5877; 18.7535; 19.6264; 64.662; 71.098; 71.086;

COD ID: 1559652

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 2098.13
Cell parameters: 9.9953; 13.6057; 17.1602; 76.844; 85.77; 110.502;

COD ID: 1559653

CIF file

Formula: - C40 H41 Fe N13 O14 -
Comments: Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science 12(3) (2020) 1038-1053
Space group: P -1
Cell volume: 4210.47
Cell parameters: 13.63358; 18.8075; 19.6686; 64.7142; 71.0809; 71.0628;

COD ID: 1559654

CIF file

Formula: - C31 H53 N O3 Si -
Comments: Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji Construction of chiral α-tert-amine scaffolds via amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines. Chemical science 12(4) (2020) 1445-1450
Space group: P 21 21 21
Cell volume: 3261.92
Cell parameters: 13.1243; 15.2075; 16.3433; 90; 90; 90;

COD ID: 1559655

CIF file

Formula: - C17 H14 O4 -
Comments: Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones via highly exo-selective Huisgen-type [3 + 2] cycloaddition. Chemical science 12(4) (2020) 1544-1550
Space group: P 1 21/n 1
Cell volume: 1336.3
Cell parameters: 8.047; 11.508; 14.43; 90; 90.23; 90;

COD ID: 1559656

CIF file

Formula: - C51 H52 Dy N5 O8 P2 S3 -
Comments: Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties. Chemical science 12(3) (2020) 929-937
Space group: P 1 21/m 1
Cell volume: 2697.8
Cell parameters: 10.081; 24.946; 11.246; 90; 107.46; 90;

COD ID: 1559657

CIF file

Formula: - C51 H52 Dy N5 O8 P2 S3 -
Comments: Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties. Chemical science 12(3) (2020) 929-937
Space group: P -1
Cell volume: 2717
Cell parameters: 9.592; 11.701; 26.2; 90.03; 91.86; 112.38;

COD ID: 1559664

CIF file

Formula: - In Li3 P2 -
Comments: Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F Supertetrahedral polyanionic network in the first lithium phosphidoindate Li3InP2 - structural similarity to Li2SiP2 and Li2GeP2 and dissimilarity to Li3AlP2 and Li3GaP2. Chemical science 12(4) (2020) 1278-1285
Space group: I 41/a c d :2
Cell volume: 3447.71
Cell parameters: 12.0065; 12.0065; 23.9165; 90; 90; 90;

COD ID: 1559665
CIF file	Formula: - C26 H30 B11 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P 1 21/c 1 Cell volume: 2869.8 Cell parameters: 14.029; 9.9593; 20.562; 90; 92.648; 90;

COD ID: 1559666
CIF file	Formula: - C62 H75 B11 N3 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P -1 Cell volume: 3021 Cell parameters: 14.553; 14.829; 15.99; 69.051; 79.173; 70.065;

COD ID: 1559667
CIF file	Formula: - C58 H67 B11 N3 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P -1 Cell volume: 3207.1 Cell parameters: 11.524; 14.772; 20.643; 77.743; 77.242; 71.242;

COD ID: 1559668
CIF file	Formula: - C36 H41 B11 N P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P 1 21/n 1 Cell volume: 3865.6 Cell parameters: 11.512; 22.661; 14.8847; 90; 95.426; 90;

COD ID: 1559669
CIF file	Formula: - C54 H65 B11 N O2 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P -1 Cell volume: 2572.9 Cell parameters: 13.061; 13.363; 17.006; 91.902; 112.387; 107.918;

COD ID: 1559670
CIF file	Formula: - C56 H63 B11 N3 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P 1 21/c 1 Cell volume: 6171.2 Cell parameters: 15.0697; 14.0752; 29.446; 90; 98.86; 90;

COD ID: 1559671
CIF file	Formula: - C51 H55 B11 N O2 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P 1 21/c 1 Cell volume: 5743 Cell parameters: 12.189; 21.845; 22.102; 90; 102.623; 90;

COD ID: 1559672
CIF file	Formula: - C78 H91 B11 N3 O2 P - Comments: Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science 12(5) (2020) 1745-1749 Space group: P -1 Cell volume: 3605.4 Cell parameters: 14.84; 15.233; 17.153; 78.44; 77.68; 74.344;

COD ID: 1559673
CIF file	Formula: - C14 H11 N O2 - Comments: Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science 12(4) (2020) 1528-1534 Space group: P 1 21/n 1 Cell volume: 1071.43 Cell parameters: 5.0451; 13.6147; 15.6358; 90; 93.956; 90;

COD ID: 1559674
CIF file	Formula: - C14 H10 Cl N O2 - Comments: Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science 12(4) (2020) 1528-1534 Space group: P 1 21/n 1 Cell volume: 1126.51 Cell parameters: 8.6415; 14.2584; 9.2288; 90; 97.831; 90;

COD ID: 1559675
CIF file	Formula: - C21 H15 N O2 - Comments: Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science 12(4) (2020) 1528-1534 Space group: P -1 Cell volume: 1512.13 Cell parameters: 10.184; 11.0563; 14.3733; 69.266; 87.583; 89.765;

COD ID: 1559727

CIF file

Formula: - C58 H60 B2 F24 N4 O2 Pt -
Comments: Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science 12(5) (2020) 1647-1655
Space group: P 1 21/c 1
Cell volume: 6497.4
Cell parameters: 13.9627; 24.4797; 20.1924; 90; 109.711; 90;

COD ID: 1559728

CIF file

Formula: - C58 H54 B2 F24 N6 Pt -
Comments: Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science 12(5) (2020) 1647-1655
Space group: P -1
Cell volume: 6177.4
Cell parameters: 17.784; 19.3314; 19.4985; 77.056; 83.793; 71.134;

COD ID: 1559729

CIF file

Formula: - C58 H54 B2 F24 N6 Pt -
Comments: Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science 12(5) (2020) 1647-1655
Space group: P -1
Cell volume: 3174.7
Cell parameters: 12.8046; 13.6804; 18.4265; 96.145; 98.035; 91.631;

COD ID: 1559730

CIF file

Formula: - C63 H69 B2 F24 N5 O2 Pt -
Comments: Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science 12(5) (2020) 1647-1655
Space group: P 1 21/c 1
Cell volume: 7068.8
Cell parameters: 13.001; 26.3167; 21.0636; 90; 101.229; 90;

COD ID: 1559731

CIF file

Formula: - C55.17 H44.33 N4 O P Zn -
Comments: Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak A chiroptical approach for the absolute stereochemical determination of P-stereogenic centers. Chemical science 12(5) (2020) 1750-1755
Space group: P 61
Cell volume: 7042.4
Cell parameters: 28.129; 28.129; 10.2773; 90; 90; 120;

COD ID: 1559733
CIF file	Formula: - C16 H23 Cl N2 O3 - Comments: Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak Ritter-enabled catalytic asymmetric chloroamidation of olefins. Chemical science 12(5) (2020) 1834-1842 Space group: P 1 21 1 Cell volume: 827.33 Cell parameters: 10.6148; 5.0773; 15.8871; 90; 104.929; 90;

COD ID: 1559734
CIF file	Formula: - C15 H20 Br Cl N2 O2 - Comments: Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak Ritter-enabled catalytic asymmetric chloroamidation of olefins. Chemical science 12(5) (2020) 1834-1842 Space group: P 1 Cell volume: 843.98 Cell parameters: 4.9505; 8.582; 19.942; 88.027; 85.435; 89.121;

COD ID: 1559735

CIF file

Formula: - C39 H35 Cl N2 O4 -
Comments: Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes. Chemical science 12(7) (2020) 2419-2426
Space group: P -1
Cell volume: 1664.53
Cell parameters: 7.0556; 11.2701; 21.8311; 76.95; 80.721; 83.88;

COD ID: 1559736

CIF file

Formula: - C39 H26 N2 -
Comments: Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes. Chemical science 12(7) (2020) 2419-2426
Space group: P 1 21/n 1
Cell volume: 3014.13
Cell parameters: 11.61201; 15.7662; 16.56274; 90; 96.2696; 90;

COD ID: 1559742

CIF file

Formula: - C123.64 H127.46 F9 Lu N9.82 O29 S3 -
Comments: Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A. Effects of turn-structure on folding and entanglement in artificial molecular overhand knots. Chemical science 12(5) (2020) 1826-1833
Space group: P 21 21 21
Cell volume: 13233.6
Cell parameters: 13.2976; 25.7772; 38.6074; 90; 90; 90;

COD ID: 1559743

CIF file

Formula: - C32 H18 N2 -
Comments: Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J. One class classification as a practical approach for accelerating π-π co-crystal discovery. Chemical science 12(5) (2020) 1702-1719
Space group: P -1
Cell volume: 1050.24
Cell parameters: 7.3505; 9.1897; 17.0347; 94.567; 91.046; 113.509;

COD ID: 1559744

CIF file

Formula: - C42 H26 O4 -
Comments: Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J. One class classification as a practical approach for accelerating π-π co-crystal discovery. Chemical science 12(5) (2020) 1702-1719
Space group: P 1 21/c 1
Cell volume: 2859.6
Cell parameters: 8.295; 16.3146; 21.1379; 90; 91.514; 90;

COD ID: 1559745

CIF file

Formula: - C18 H18 Al0.5 Mo6 N3 O34.25 P4 -
Comments: Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst. Chemical science 12(5) (2020) 1886-1890
Space group: P 1 21/c 1
Cell volume: 4142.4
Cell parameters: 11.438; 23.034; 15.788; 90; 95.203; 90;

COD ID: 1559746

CIF file

Formula: - C132 H114 Al6 Mo36 N22 O201 P24 -
Comments: Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst. Chemical science 12(5) (2020) 1886-1890
Space group: C 1 2/c 1
Cell volume: 28024
Cell parameters: 48.173; 13.8607; 47.347; 90; 117.571; 90;

COD ID: 1559747

CIF file

Formula: - C199 H530 Ce6 Cl8 N36 Si36 -
Comments: Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J. Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures. Chemical science 12(10) (2020) 3558-3567
Space group: P -1
Cell volume: 7749.8
Cell parameters: 17.4036; 20.6957; 24.9538; 103.801; 102.939; 109.687;

COD ID: 1559748

CIF file

Formula: - C64 H94 B Ce F24 N7 Si6 -
Comments: Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J. Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures. Chemical science 12(10) (2020) 3558-3567
Space group: P 1 21/c 1
Cell volume: 9038.9
Cell parameters: 18.6937; 18.0533; 26.789; 90; 91.191; 90;

COD ID: 1559749

CIF file

Formula: - C50 H46 Mn2 N30 -
Comments: Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12(6) (2020) 2268-2275
Space group: P -1
Cell volume: 1427.1
Cell parameters: 11.495; 11.697; 11.753; 72.463; 82.359; 71.422;

COD ID: 1559750

CIF file

Formula: - C36 H30 Cu2 N26 -
Comments: Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12(6) (2020) 2268-2275
Space group: P 1 21/n 1
Cell volume: 1953.6
Cell parameters: 9.332; 13.337; 15.845; 90; 97.844; 90;

COD ID: 1559751

CIF file

Formula: - C3 H2 N10 -
Comments: Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12(6) (2020) 2268-2275
Space group: P 1 21/n 1
Cell volume: 693.1
Cell parameters: 8.018; 4.669; 18.877; 90; 101.238; 90;

COD ID: 1559752

CIF file

Formula: - C36 H30 N26 Zn2 -
Comments: Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12(6) (2020) 2268-2275
Space group: P 1 21/n 1
Cell volume: 1974.6
Cell parameters: 9.58; 13.076; 15.904; 90; 97.636; 90;

COD ID: 1559753

CIF file

Formula: - C46 H49 Fe2 N27 O2 -
Comments: Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12(6) (2020) 2268-2275
Space group: P -1
Cell volume: 2625.8
Cell parameters: 11.034; 13.414; 18.758; 91.221; 106.188; 99.178;

COD ID: 1559754

CIF file

Formula: - C44 H46 N26 Ni2 O2 -
Comments: Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12(6) (2020) 2268-2275
Space group: P 1 21/c 1
Cell volume: 2510.7
Cell parameters: 11.927; 20.144; 10.56; 90; 98.269; 90;

COD ID: 1559758
CIF file	Formula: - C14 H19 N3 O2 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P 1 21/c 1 Cell volume: 1283.79 Cell parameters: 8.1323; 8.1695; 19.3253; 90; 90.803; 90;

COD ID: 1559759
CIF file	Formula: - C13 H17 N3 O3 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P 1 21/c 1 Cell volume: 1256.69 Cell parameters: 8.0314; 8.1488; 19.2027; 90; 90.5479; 90;

COD ID: 1559760
CIF file	Formula: - C13 H15 N3 O2 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P b c a Cell volume: 2303.09 Cell parameters: 13.4226; 7.6316; 22.4832; 90; 90; 90;

COD ID: 1559761
CIF file	Formula: - C18 H26 N3 O2.5 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P -1 Cell volume: 816.35 Cell parameters: 7.6118; 9.3656; 12.1634; 93.7306; 95.39; 108.127;

COD ID: 1559762
CIF file	Formula: - C15 H21 N3 O2 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P -1 Cell volume: 691.32 Cell parameters: 7.1405; 8.577; 11.9704; 73.957; 88.399; 78.976;

COD ID: 1559763
CIF file	Formula: - C17 H21 N3 O - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P -1 Cell volume: 725.03 Cell parameters: 7.0488; 8.6329; 12.6463; 88.989; 74.751; 77.777;

COD ID: 1559764
CIF file	Formula: - C16 H19 N3 O - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P -1 Cell volume: 685.7 Cell parameters: 6.9675; 8.6877; 12.0676; 87.02; 74.121; 77.399;

COD ID: 1559765
CIF file	Formula: - C15 H19 N3 O - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P 31 Cell volume: 2994.36 Cell parameters: 22.0392; 22.0392; 7.1184; 90; 90; 120;

COD ID: 1559766
CIF file	Formula: - C15 H18 N2 O2 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P 1 21/n 1 Cell volume: 1296.67 Cell parameters: 9.6859; 8.2156; 16.9618; 90; 106.12; 90;

COD ID: 1559767
CIF file	Formula: - C18 H26 N6 O4 - Comments: Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science 12(6) (2020) 2091-2096 Space group: P 21 21 21 Cell volume: 1857.1 Cell parameters: 8.3617; 13.8207; 16.0698; 90; 90; 90;

COD ID: 1559768

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21 1
Cell volume: 4148.2
Cell parameters: 14.0179; 13.6325; 22.7651; 90; 107.536; 90;

COD ID: 1559769

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: C 1 c 1
Cell volume: 4296.5
Cell parameters: 13.9524; 14.0942; 22.7794; 90; 106.433; 90;

COD ID: 1559770

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2141.4
Cell parameters: 6.824; 14.6816; 21.469; 90; 95.4; 90;

COD ID: 1559771

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21 1
Cell volume: 4212.2
Cell parameters: 14.0444; 13.7744; 22.8418; 90; 107.59; 90;

COD ID: 1559772

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 2/c 1
Cell volume: 2140.25
Cell parameters: 19.158; 6.7794; 17.4666; 90; 109.362; 90;

COD ID: 1559773

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2116.63
Cell parameters: 6.6696; 14.9431; 21.3309; 90; 95.362; 90;

COD ID: 1559774

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2105.5
Cell parameters: 6.7928; 14.5649; 21.3902; 90; 95.7754; 90;

COD ID: 1559775

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2146.5
Cell parameters: 6.6763; 15.0587; 21.4299; 90; 94.94; 90;

COD ID: 1559776

CIF file

Formula: - C54 H37 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2090.88
Cell parameters: 6.657; 14.852; 21.2537; 90; 95.721; 90;

COD ID: 1559777

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 c 1
Cell volume: 2114.48
Cell parameters: 19.0865; 6.767; 17.3518; 90; 109.354; 90;

COD ID: 1559778

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2137.29
Cell parameters: 6.6803; 15.0128; 21.3972; 90; 95.143; 90;

COD ID: 1559779

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2079.54
Cell parameters: 6.7657; 14.4934; 21.3307; 90; 96.1667; 90;

COD ID: 1559780

CIF file

Formula: - C30 H29 N3 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/c 1
Cell volume: 2334.37
Cell parameters: 9.148; 22.6374; 11.7158; 90; 105.813; 90;

COD ID: 1559781

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 2/c 1
Cell volume: 2130.24
Cell parameters: 19.1368; 6.7789; 17.4066; 90; 109.373; 90;

COD ID: 1559782

CIF file

Formula: - C54 H37 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21/n 1
Cell volume: 2100.4
Cell parameters: 6.6613; 14.8875; 21.2797; 90; 95.554; 90;

COD ID: 1559783

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 2/c 1
Cell volume: 2161.35
Cell parameters: 19.2225; 6.7835; 17.5663; 90; 109.337; 90;

COD ID: 1559784

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 2/c 1
Cell volume: 2178.67
Cell parameters: 19.2767; 6.7799; 17.6615; 90; 109.29; 90;

COD ID: 1559785

CIF file

Formula: - C54 H38 F8 N4 -
Comments: Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science 12(6) (2020) 2181-2188
Space group: P 1 21 1
Cell volume: 4180.1
Cell parameters: 14.0331; 13.6998; 22.8049; 90; 107.555; 90;

COD ID: 1559786

CIF file

Formula: - C42 H525 Ce4 Mo126 N21 Na4 O623 -
Comments: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science 12(7) (2020) 2427-2432
Space group: P -1
Cell volume: 34154
Cell parameters: 32.5994; 32.7694; 35.206; 104.753; 98.873; 104.933;

COD ID: 1559787

CIF file

Formula: - C36 H521 Ce4 Mo124 N16 Na3 O616 -
Comments: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science 12(7) (2020) 2427-2432
Space group: P 21 21 2
Cell volume: 32943
Cell parameters: 34.8531; 45.172; 20.9243; 90; 90; 90;

COD ID: 1559788

CIF file

Formula: - C36 H531 Ce4 Mo124 N16 Na3 O617 -
Comments: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science 12(7) (2020) 2427-2432
Space group: P 21 21 2
Cell volume: 33342
Cell parameters: 34.884; 45.668; 20.929; 90; 90; 90;

COD ID: 1559789

CIF file

Formula: - C48 H535 Ce4 Mo126 N24 Na3 O626 -
Comments: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science 12(7) (2020) 2427-2432
Space group: P -1
Cell volume: 34063
Cell parameters: 32.444; 32.749; 35.233; 104.665; 98.814; 104.742;

COD ID: 1559790

CIF file

Formula: - C40 H516 Ce4 Mo124 N20 Na2 O610 -
Comments: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science 12(7) (2020) 2427-2432
Space group: P 21 21 2
Cell volume: 33023
Cell parameters: 34.6572; 45.43; 20.9741; 90; 90; 90;

COD ID: 1559791

CIF file

Formula: - C40 H535 Ce5 Mo122 N20 Na2 O616 -
Comments: She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science 12(7) (2020) 2427-2432
Space group: P 21 21 21
Cell volume: 68413
Cell parameters: 38.1062; 38.2685; 46.9136; 90; 90; 90;

COD ID: 1559792

CIF file

Formula: - B6.001 H14.002 N2 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: F m -3 m
Cell volume: 754.304
Cell parameters: 9.10295; 9.10295; 9.10295; 90; 90; 90;

COD ID: 1559793

CIF file

Formula: - Ca F2 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: F m -3 m
Cell volume: 161.963
Cell parameters: 5.45095; 5.45095; 5.45095; 90; 90; 90;

COD ID: 1559794

CIF file

Formula: - C3 H7 N O2 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: P 21 21 21
Cell volume: 421.07
Cell parameters: 5.9279; 12.2597; 5.7939; 90; 90; 90;

COD ID: 1559795

CIF file

Formula: - C6.286 H6 O2.57 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: R -3 :H
Cell volume: 1294.57
Cell parameters: 16.2023; 16.2023; 5.6943; 90; 90; 120;

COD ID: 1559796

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: P 21 21 21
Cell volume: 688.63
Cell parameters: 7.4583; 9.4892; 9.7301; 90; 90; 90;

COD ID: 1559797

CIF file

Formula: - C10 H10 F2 N4 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: P 1 21/n 1
Cell volume: 980.71
Cell parameters: 6.9196; 14.5749; 9.7248; 90; 90.637; 90;

COD ID: 1559798

CIF file

Formula: - C24 H44 Os P2 -
Comments: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12(5) (2020) 1675-1692
Space group: P 1 21/n 1
Cell volume: 2530.34
Cell parameters: 10.8918; 13.7619; 17.0714; 90; 98.563; 90;

COD ID: 1559814
CIF file	Formula: - C28 H29 N O4 - Comments: Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe A Giese reaction for electron-rich alkenes. Chemical science 12(6) (2020) 2225-2230 Space group: P 1 21 1 Cell volume: 4694.6 Cell parameters: 6.1281; 27.1638; 28.2117; 90; 91.472; 90;

COD ID: 1559815
CIF file	Formula: - C29 H46 O4 Si - Comments: Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe A Giese reaction for electron-rich alkenes. Chemical science 12(6) (2020) 2225-2230 Space group: P 1 Cell volume: 1444.75 Cell parameters: 6.44725; 10.18619; 22.76512; 101.785; 91.4615; 98.5773;

COD ID: 1559816
CIF file	Formula: - C25 H36 O4 - Comments: Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe A Giese reaction for electron-rich alkenes. Chemical science 12(6) (2020) 2225-2230 Space group: P 1 21 1 Cell volume: 2199.54 Cell parameters: 6.1518; 60.5855; 6.15597; 90; 106.532; 90;

COD ID: 1559817

CIF file

Formula: - C59 H46 B F21 Mg N2 -
Comments: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science 12(7) (2020) 2410-2418
Space group: P -1
Cell volume: 2720.03
Cell parameters: 11.5844; 12.7186; 19.132; 86.186; 77.9; 80.916;

COD ID: 1559818

CIF file

Formula: - C65 H58 B Br F20 Mg N2 -
Comments: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science 12(7) (2020) 2410-2418
Space group: P 1 21/c 1
Cell volume: 6106.32
Cell parameters: 18.6127; 17.9643; 18.7424; 90; 102.994; 90;

COD ID: 1559819

CIF file

Formula: - C71 H63 B F22 Mg N2 -
Comments: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science 12(7) (2020) 2410-2418
Space group: P 1 21/c 1
Cell volume: 6495.77
Cell parameters: 18.3734; 18.0983; 19.7295; 90; 98.061; 90;

COD ID: 1559820

CIF file

Formula: - C71 H63 Al2 F57 Mg N2 O6 -
Comments: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science 12(7) (2020) 2410-2418
Space group: P -1
Cell volume: 4303.5
Cell parameters: 11.3521; 15.9191; 24.738; 74.924; 85.545; 89.29;

COD ID: 1559821

CIF file

Formula: - C71 H56 B F23 Mg N2 -
Comments: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science 12(7) (2020) 2410-2418
Space group: P -1
Cell volume: 3210.89
Cell parameters: 12.2177; 15.9583; 17.8965; 102.494; 106.268; 96.734;

COD ID: 1559822

CIF file

Formula: - C65 H58 B F20 I Mg N2 -
Comments: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science 12(7) (2020) 2410-2418
Space group: P 1 21/c 1
Cell volume: 6177.5
Cell parameters: 18.7237; 18.0226; 18.7649; 90; 102.692; 90;

COD ID: 1559823

CIF file

Formula: - C20 H14 N4 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: C 1 2/c 1
Cell volume: 1499.03
Cell parameters: 15.8604; 11.0803; 9.0716; 90; 109.9; 90;

COD ID: 1559824

CIF file

Formula: - C56 H64 F24 N8 P4 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: P -1
Cell volume: 1529.2
Cell parameters: 8.895; 12.069; 15.1617; 103.06; 94.575; 103.138;

COD ID: 1559825

CIF file

Formula: - C56 H64 F24 N8 P4 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: P 1 2/n 1
Cell volume: 3136.7
Cell parameters: 17.127; 8.8196; 21.3425; 90; 103.355; 90;

COD ID: 1559826

CIF file

Formula: - C104 H100 Ag2 B2 N8 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: A e a 2
Cell volume: 9819.3
Cell parameters: 8.9095; 41.3302; 26.6661; 90; 90; 90;

COD ID: 1559827

CIF file

Formula: - C61.5 H44.5 F10.5 N9 O11.5 S3.5 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: P 1 21/m 1
Cell volume: 3057.5
Cell parameters: 8.0294; 19.1408; 19.9693; 90; 94.97; 90;

COD ID: 1559828

CIF file

Formula: - C40 H28 N8 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: P 1 21/n 1
Cell volume: 1451.8
Cell parameters: 9.2542; 15.7442; 9.9997; 90; 94.804; 90;

COD ID: 1559829

CIF file

Formula: - C28 H18 N4 -
Comments: Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science 12(6) (2020) 2165-2171
Space group: P -1
Cell volume: 499.2
Cell parameters: 6.4661; 8.1703; 10.3854; 69.264; 78.354; 79.8;

COD ID: 1559845

CIF file

Formula: - C189 H28 S10 Th2 -
Comments: Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning Synthesis and characterization of carbene derivatives of Th@C 3v(8)-C82 and U@C 2v(9)-C82: exceptional chemical properties induced by strong actinide-carbon cage interaction. Chemical science 12(7) (2020) 2488-2497
Space group: P b c a
Cell volume: 10214.9
Cell parameters: 21.6511; 21.3564; 22.0916; 90; 90; 90;

COD ID: 1559846

CIF file

Formula: - C93 H14 S2 U -
Comments: Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning Synthesis and characterization of carbene derivatives of Th@C 3v(8)-C82 and U@C 2v(9)-C82: exceptional chemical properties induced by strong actinide-carbon cage interaction. Chemical science 12(7) (2020) 2488-2497
Space group: P 1 21/n 1
Cell volume: 5073.9
Cell parameters: 11.3037; 21.8879; 20.9098; 90; 101.257; 90;

COD ID: 1559850

CIF file

Formula: - C37 H38 B2 Fe N10 -
Comments: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science 12(6) (2020) 2231-2241
Space group: C 1 2/c 1
Cell volume: 6753.7
Cell parameters: 16.6461; 17.2299; 24.132; 90; 102.636; 90;

COD ID: 1559851

CIF file

Formula: - C65 H63 B4 Fe2 N20 -
Comments: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science 12(6) (2020) 2231-2241
Space group: P -1
Cell volume: 3053.3
Cell parameters: 12.5636; 13.684; 20.5835; 98.128; 100.359; 115.218;

COD ID: 1559852

CIF file

Formula: - C37 H38 B2 F6 Fe N10 Sb -
Comments: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science 12(6) (2020) 2231-2241
Space group: P 1 21/n 1
Cell volume: 3984.3
Cell parameters: 11.98; 25.1657; 14.4893; 90; 114.204; 90;

COD ID: 1559853

CIF file

Formula: - C43 H41 B2 Br Fe N9 -
Comments: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science 12(6) (2020) 2231-2241
Space group: P -1
Cell volume: 2000.4
Cell parameters: 10.252; 12.025; 18.4; 104.192; 92.618; 112.901;

COD ID: 1559854

CIF file

Formula: - C31 H29 B2 F Fe N9 -
Comments: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science 12(6) (2020) 2231-2241
Space group: P n m a
Cell volume: 2876.3
Cell parameters: 8.245; 19.3287; 18.0484; 90; 90; 90;

COD ID: 1559855

CIF file

Formula: - C45 H50 B2 Fe N10 O -
Comments: Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science 12(6) (2020) 2231-2241
Space group: P 1 2/c 1
Cell volume: 10570.5
Cell parameters: 18.7182; 24.1607; 23.662; 90; 98.957; 90;

COD ID: 1559856

CIF file

Formula: - C30 H50 B2 N2 Ni O2 P2 -
Comments: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H2. Chemical science 12(7) (2020) 2540-2548
Space group: P 1 c 1
Cell volume: 1590.82
Cell parameters: 9.294; 15.3277; 11.7365; 90; 107.92; 90;

COD ID: 1559857

CIF file

Formula: - C20 H24 B2 N2 O4 -
Comments: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H2. Chemical science 12(7) (2020) 2540-2548
Space group: P 1 21/n 1
Cell volume: 1895.4
Cell parameters: 9.273; 18.201; 11.69; 90; 106.121; 90;

COD ID: 1559858

CIF file

Formula: - C36 H55 B2 N3 Ni O4 P2 -
Comments: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H2. Chemical science 12(7) (2020) 2540-2548
Space group: P 21 21 2
Cell volume: 4353.6
Cell parameters: 17.5213; 20.1284; 12.3444; 90; 90; 90;

COD ID: 1559859

CIF file

Formula: - C30 H48 B2 N2 Ni O2 P2 -
Comments: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H2. Chemical science 12(7) (2020) 2540-2548
Space group: C 1 2/c 1
Cell volume: 6530.4
Cell parameters: 22.532; 11.3598; 26.302; 90; 104.066; 90;

COD ID: 1559860
CIF file	Formula: - C25 H31 K O8 - Comments: Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K. Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst. Chemical science 12(8) (2020) 3039-3049 Space group: P 1 21/c 1 Cell volume: 2456.4 Cell parameters: 8.3399; 27.1397; 11.0226; 90; 100.071; 90;

COD ID: 1559861
CIF file	Formula: - C66 H81 K2 N2 O14 - Comments: Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K. Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst. Chemical science 12(8) (2020) 3039-3049 Space group: P 1 21/c 1 Cell volume: 6271.3 Cell parameters: 14.2195; 34.538; 13.8905; 90; 113.176; 90;

COD ID: 1559862
CIF file	Formula: - C51 H69 K2 O14 - Comments: Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K. Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst. Chemical science 12(8) (2020) 3039-3049 Space group: P 21 21 21 Cell volume: 5088.8 Cell parameters: 14.237; 18.7126; 19.1013; 90; 90; 90;

COD ID: 1559874
CIF file	Formula: - C54 H42 Cl6 D2 N2 O10 - Comments: Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition. Chemical science 12(8) (2020) 2940-2947 Space group: P 1 21/n 1 Cell volume: 2497.81 Cell parameters: 11.8889; 14.4911; 14.9954; 90; 104.794; 90;

COD ID: 1559875
CIF file	Formula: - C30 H27 N3 O5 - Comments: Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition. Chemical science 12(8) (2020) 2940-2947 Space group: P 21 21 21 Cell volume: 2736.46 Cell parameters: 10.8152; 12.5754; 20.1202; 90; 90; 90;

COD ID: 1559876
CIF file	Formula: - C55 H46 Cl2 N2 O11 - Comments: Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition. Chemical science 12(8) (2020) 2940-2947 Space group: P 41 21 2 Cell volume: 9942.8 Cell parameters: 19.2448; 19.2448; 26.8461; 90; 90; 90;

COD ID: 1559888

CIF file

Formula: - C7 H4 D6 O6 -
Comments: Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science 12(7) (2021) 2549-2557
Space group: P n a 21
Cell volume: 738.46
Cell parameters: 12.1157; 6.1134; 9.97; 90; 90; 90;

COD ID: 1559889

CIF file

Formula: - C14 H18 O8 -
Comments: Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science 12(7) (2021) 2549-2557
Space group: P 1 21 1
Cell volume: 774.33
Cell parameters: 10.4164; 6.6513; 11.2592; 90; 96.9535; 90;

COD ID: 1559890

CIF file

Formula: - C26 H34 N2 O6 S -
Comments: Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed Z →E isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science 12(7) (2020) 2614-2622
Space group: P 1 21 1
Cell volume: 1281.92
Cell parameters: 6.2203; 17.3233; 11.9123; 90; 92.951; 90;

COD ID: 1559891

CIF file

Formula: - C26 H25 O -
Comments: Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed Z →E isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science 12(7) (2020) 2614-2622
Space group: I 1 2 1
Cell volume: 1935.2
Cell parameters: 11.9345; 7.2394; 22.679; 90; 99.029; 90;

COD ID: 1559892

CIF file

Formula: - C23 H24 O -
Comments: Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed Z →E isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science 12(7) (2020) 2614-2622
Space group: P -1
Cell volume: 880.77
Cell parameters: 9.4684; 10.1128; 11.1589; 111.746; 114.773; 91.316;

COD ID: 1559907
CIF file	Formula: - C12 H22 B Fe N - Comments: Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science 12(8) (2021) 2885-2889 Space group: P 1 21/c 1 Cell volume: 1361.68 Cell parameters: 12.5601; 7.39591; 14.8102; 90; 98.207; 90;

COD ID: 1559908
CIF file	Formula: - C68 H60 B2 F24 Fe N O2 P - Comments: Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science 12(8) (2021) 2885-2889 Space group: P -1 Cell volume: 3541.17 Cell parameters: 12.9415; 14.6375; 19.3031; 103.817; 92.601; 92.604;

COD ID: 1559909
CIF file	Formula: - C81 H67 B2 F24 Fe N P2 - Comments: Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science 12(8) (2021) 2885-2889 Space group: P 1 21/c 1 Cell volume: 7851.73 Cell parameters: 13.1206; 16.6063; 36.1078; 90; 93.609; 90;

COD ID: 1559910
CIF file	Formula: - C28 H31 B Fe N P - Comments: Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science 12(8) (2021) 2885-2889 Space group: P 1 21/c 1 Cell volume: 14484.6 Cell parameters: 15.3228; 26.7339; 35.8973; 90; 99.93; 90;

COD ID: 1559911
CIF file	Formula: - C28 H33 B Fe N P - Comments: Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science 12(8) (2021) 2885-2889 Space group: P 1 21/n 1 Cell volume: 2522.1 Cell parameters: 10.668; 10.792; 21.922; 90; 92.119; 90;

COD ID: 1559946
CIF file	Formula: - C30 H14 Cd N4 O8 S - Comments: Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science 12(10) (2021) 3608-3614 Space group: P b a m Cell volume: 5141.03 Cell parameters: 12.8322; 19.9878; 20.044; 90; 90; 90;

COD ID: 1559947
CIF file	Formula: - C30 H14 Cd N4 O8 S - Comments: Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science 12(10) (2021) 3608-3614 Space group: P b a m Cell volume: 5173.76 Cell parameters: 12.9936; 19.8725; 20.0366; 90; 90; 90;

COD ID: 1559948
CIF file	Formula: - C10 H34 I12 N4 Pb3 - Comments: Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science 12(8) (2021) 3050-3054 Space group: C 1 2/m 1 Cell volume: 2237 Cell parameters: 8.909; 9.012; 27.896; 90; 92.832; 90;

COD ID: 1559949

CIF file

Formula: - C10 H34 I12 N4 Pb3 -
Comments: Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science 12(8) (2021) 3050-3054
Space group: P 1 c 1
Cell volume: 2162.65
Cell parameters: 27.3848; 9.0015; 8.8216; 90; 95.999; 90;

COD ID: 1559953

CIF file

Formula: - C15 H19 F3 N2 O5 Pt S -
Comments: Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A. Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation Chemical Science 12(8) (2021) 2960-2969
Space group: P 1 21/n 1
Cell volume: 1880.42
Cell parameters: 11.3867; 13.3132; 12.4183; 90; 92.717; 90;

COD ID: 1559954

CIF file

Formula: - C10 H13 F2 N O4 S2 -
Comments: Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela 2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases Chemical Science 12(8) (2021) 2898-2908
Space group: P 1 21 1
Cell volume: 657.9
Cell parameters: 6.9704; 8.0097; 11.9695; 90; 100.105; 90;

COD ID: 1559955
CIF file	Formula: - C224 H252 Au44 S28 - Comments: Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science 12(9) (2021) 3290-3294 Space group: R -3 c :H Cell volume: 140007 Cell parameters: 45.692; 45.692; 77.435; 90; 90; 120;

COD ID: 1559956
CIF file	Formula: - C240 H270 Au38 Cd4 S30 - Comments: Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science 12(9) (2021) 3290-3294 Space group: P -1 Cell volume: 55332 Cell parameters: 35.243; 36.193; 46.321; 78.898; 74.68; 79.183;

COD ID: 1559978
CIF file	Formula: - C30 H36 N2 S2 - Comments: Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science 12(6) (2021) 2304-2312 Space group: P -1 Cell volume: 1349.48 Cell parameters: 7.0096; 11.6756; 17.1032; 96.573; 98.931; 99.536;

COD ID: 1559979
CIF file	Formula: - C30 H36 N2 O S2 - Comments: Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science 12(6) (2021) 2304-2312 Space group: P -1 Cell volume: 687.4 Cell parameters: 6.7333; 7.2344; 14.884; 85.396; 80.658; 74.043;

COD ID: 1559980

CIF file

Formula: - C18 H15 N O3 -
Comments: Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science 12(9) (2021) 3216-3225
Space group: P 1 21/c 1
Cell volume: 1469.8
Cell parameters: 5.974; 16.697; 14.741; 90; 91.617; 90;

COD ID: 1559981

CIF file

Formula: - C18 H15 N O3 -
Comments: Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science 12(9) (2021) 3216-3225
Space group: P -1
Cell volume: 743.01
Cell parameters: 8.1516; 8.1871; 11.8093; 96.901; 107.557; 92.751;

COD ID: 1559982

CIF file

Formula: - C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 -
Comments: Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science 12(10) (2021) 3660-3667
Space group: P -1
Cell volume: 15103
Cell parameters: 21.3948; 27.211; 29.938; 80.347; 70.094; 67.283;

COD ID: 1559983

CIF file

Formula: - C298 H333 Ag22 B2 Fe3 P6 S12 -
Comments: Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science 12(10) (2021) 3660-3667
Space group: P -1
Cell volume: 15040.9
Cell parameters: 21.412; 27.2727; 29.7612; 79.123; 70.493; 66.956;

COD ID: 1559984

CIF file

Formula: - C84 H116 Fe2 K2 N4 Si4 Sm2 -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: C 1 2/c 1
Cell volume: 8300
Cell parameters: 14.315; 21.977; 26.509; 90; 95.58; 90;

COD ID: 1559985

CIF file

Formula: - C34 H62 Fe N2 O3 Si2 Yb -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: P 21 21 21
Cell volume: 3762.62
Cell parameters: 13.9723; 15.8539; 16.9858; 90; 90; 90;

COD ID: 1559986

CIF file

Formula: - C52 H92 Fe2 N4 O2 Si4 Yb2 -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: P -1
Cell volume: 1439.25
Cell parameters: 11.5553; 12.3812; 12.4512; 112.215; 96.684; 113.262;

COD ID: 1559987

CIF file

Formula: - C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: P -1
Cell volume: 6041.8
Cell parameters: 15.0158; 15.8062; 28.2213; 83.357; 79.591; 66.665;

COD ID: 1559988

CIF file

Formula: - C34 H62 Fe N2 O6 Si2 Yb -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: P -1
Cell volume: 1968.71
Cell parameters: 11.3145; 13.0374; 14.2432; 87.291; 81.628; 71.282;

COD ID: 1559989

CIF file

Formula: - C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: P 1 21/n 1
Cell volume: 3556.6
Cell parameters: 13.2467; 18.78; 14.5436; 90; 100.579; 90;

COD ID: 1559990

CIF file

Formula: - C34 H62 Fe N2 O6 Si2 Yb -
Comments: Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science 12(1) (2020) 227-238
Space group: P 1 21 1
Cell volume: 3955.6
Cell parameters: 10.201; 33.0414; 12.1739; 90; 105.418; 90;

COD ID: 1559991

CIF file

Formula: - C23 H35 Fe N O3 S -
Comments: Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F. Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect. Chemical science 12(1) (2020) 270-281
Space group: P 1 21/c 1
Cell volume: 2255.3
Cell parameters: 26.9077; 7.4341; 11.4663; 90; 100.496; 90;

COD ID: 1559992

CIF file

Formula: - C29 H21 N3 O Pt -
Comments: Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science 12(9) (2021) 3270-3281
Space group: P 1 21/n 1
Cell volume: 2167.31
Cell parameters: 10.309; 13.9097; 15.4326; 90; 101.658; 90;

COD ID: 1559993

CIF file

Formula: - C29 H17 F4 N3 O Pd -
Comments: Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science 12(9) (2021) 3270-3281
Space group: P -1
Cell volume: 2308.6
Cell parameters: 11.8675; 12.4514; 17.2457; 94.655; 96.279; 113.088;

COD ID: 1559994

CIF file

Formula: - C29 H19 F2 N3 O Pt -
Comments: Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science 12(9) (2021) 3270-3281
Space group: P -1
Cell volume: 1084.42
Cell parameters: 9.3869; 11.7589; 11.9012; 117.792; 105.826; 94.593;

COD ID: 1559995

CIF file

Formula: - C29 H17 F4 N3 O Pt -
Comments: Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science 12(9) (2021) 3270-3281
Space group: P 1 2/c 1
Cell volume: 4537.52
Cell parameters: 22.8339; 9.8626; 22.7576; 90; 117.704; 90;

COD ID: 1559996

CIF file

Formula: - C29 H17 F4 N3 O Pt -
Comments: Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science 12(9) (2021) 3270-3281
Space group: P -1
Cell volume: 1123.48
Cell parameters: 9.6007; 11.7181; 12.0959; 118.283; 95.325; 104.556;

COD ID: 1559997
CIF file	Formula: - C23 H40 Cl O2 P Pd - Comments: Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes. Chemical science 12(1) (2020) 363-373 Space group: P 1 21/n 1 Cell volume: 2539.4 Cell parameters: 9.7932; 13.0955; 19.8473; 90; 93.9044; 90;

COD ID: 1559998

CIF file

Formula: - C126 H53 N5 Ni S2 U2 -
Comments: Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning U2N@I h(7)-C80: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster. Chemical science 12(1) (2020) 282-292
Space group: P 1 21/c 1
Cell volume: 7667.88
Cell parameters: 17.6663; 16.9578; 26.7308; 90; 106.76; 90;

COD ID: 1559999

CIF file

Formula: - C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -
Comments: Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni "Bottled" spiro-doubly aromatic trinuclear [Pd2Ru]+ complexes. Chemical science 12(1) (2020) 477-486
Space group: P -1
Cell volume: 3125.45
Cell parameters: 11.9921; 12.28439; 21.733; 94.518; 91.0356; 101.524;

COD ID: 1560000

CIF file

Formula: - C28 H46 Li N2 O P3 -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P 1 21/n 1
Cell volume: 2954.5
Cell parameters: 10.215; 30.038; 10.723; 90; 116.107; 90;

COD ID: 1560001

CIF file

Formula: - C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P 1 21/c 1
Cell volume: 3883.3
Cell parameters: 11.6149; 16.6838; 20.0416; 90; 90.81; 90;

COD ID: 1560002

CIF file

Formula: - C40 H38 Cl2 N2 O P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P 1 21/n 1
Cell volume: 3733.8
Cell parameters: 10.1219; 16.662; 22.432; 90; 99.27; 90;

COD ID: 1560003

CIF file

Formula: - C45 H44 Cl N4 P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P -1
Cell volume: 2295.3
Cell parameters: 12.209; 12.264; 15.876; 97.041; 99.249; 98.343;

COD ID: 1560004

CIF file

Formula: - C24 H38 Cl3 N2 P3 Zr -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P b c a
Cell volume: 5898.2
Cell parameters: 16.455; 16.291; 22.0025; 90; 90; 90;

COD ID: 1560005

CIF file

Formula: - C29 H49 Au Cl4 N3 P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P n m a
Cell volume: 3727.7
Cell parameters: 14.2921; 13.7871; 18.9179; 90; 90; 90;

COD ID: 1560006

CIF file

Formula: - C147 H126 Cl18 N8 P12 Zr4 -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P -1
Cell volume: 3656.1
Cell parameters: 11.8938; 12.0699; 27.548; 82.319; 80.357; 70.217;

COD ID: 1560007

CIF file

Formula: - C77 H70 B Cl2 N2 O2 P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P -1
Cell volume: 3273.7
Cell parameters: 11.7665; 13.781; 20.643; 82.299; 86.711; 80.965;

COD ID: 1560008

CIF file

Formula: - C48 H76 Cu2 N4 P6 -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: C 1 2/c 1
Cell volume: 5486.9
Cell parameters: 31.2123; 11.3573; 16.6578; 90; 111.69; 90;

COD ID: 1560009

CIF file

Formula: - C28 H47 Cl N3 P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P 1 21/n 1
Cell volume: 6559.6
Cell parameters: 19.7139; 17.7743; 20.2496; 90; 112.411; 90;

COD ID: 1560010

CIF file

Formula: - C24 H38 Cl2 N2 P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P 1 21/n 1
Cell volume: 2813
Cell parameters: 11.1686; 15.39; 16.608; 90; 99.796; 90;

COD ID: 1560011

CIF file

COD ID: 1560012

CIF file

Formula: - C47 H47 Cl N3 P3 Ti -
Comments: Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science 12(1) (2020) 253-269
Space group: P 1 21/c 1
Cell volume: 4169.6
Cell parameters: 12.4622; 22.1019; 15.1862; 90; 94.567; 90;

COD ID: 1560015
CIF file	Formula: - C18 H24 O2 - Comments: Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science 12(8) (2021) 2816-2822 Space group: P -1 Cell volume: 780.74 Cell parameters: 8.3649; 10.0504; 10.2831; 73.682; 70.348; 86.635;

COD ID: 1560016
CIF file	Formula: - C12 H21 N O2 S - Comments: Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science 12(8) (2021) 2816-2822 Space group: P -1 Cell volume: 658.07 Cell parameters: 6.3005; 10.5228; 10.9791; 65.837; 82.374; 88.124;

COD ID: 1560017
CIF file	Formula: - C22 H26 O2 - Comments: Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science 12(8) (2021) 2816-2822 Space group: P 1 21/n 1 Cell volume: 1800.21 Cell parameters: 10.5885; 8.3629; 20.6387; 90; 99.927; 90;

COD ID: 1560018
CIF file	Formula: - C35 H35 N2 O P - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P -1 Cell volume: 1410.37 Cell parameters: 8.9009; 10.4501; 17.0815; 104.343; 91.133; 112.507;

COD ID: 1560019
CIF file	Formula: - C33 H30 N O P - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P -1 Cell volume: 1264.24 Cell parameters: 8.2229; 12.4346; 13.1943; 108.632; 96.25; 93.485;

COD ID: 1560020
CIF file	Formula: - C32 H22 F3 O4 P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/c 1 Cell volume: 2627.1 Cell parameters: 7.4114; 15.707; 22.5898; 90; 92.536; 90;

COD ID: 1560021
CIF file	Formula: - C33 H25 F3 N O3 P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P n a 21 Cell volume: 2776.6 Cell parameters: 8.0035; 27.389; 12.6664; 90; 90; 90;

COD ID: 1560022
CIF file	Formula: - C34 H29 F3 N O3 P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/c 1 Cell volume: 2950.9 Cell parameters: 8.9602; 11.4072; 28.9126; 90; 93.074; 90;

COD ID: 1560023
CIF file	Formula: - C33 H25 F3 N O3 P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/c 1 Cell volume: 2875.2 Cell parameters: 16.162; 12.9217; 14.4246; 90; 107.362; 90;

COD ID: 1560024
CIF file	Formula: - C36 H34 F3 N2 O3 P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/c 1 Cell volume: 3171.8 Cell parameters: 11.0775; 19.2817; 15.3042; 90; 104; 90;

COD ID: 1560025
CIF file	Formula: - C33 H29 Au B Cl F4 N P - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21 1 Cell volume: 1523.51 Cell parameters: 8.2171; 20.0635; 9.9302; 90; 111.472; 90;

COD ID: 1560026
CIF file	Formula: - C36 H33 Au B2 F8 N P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/c 1 Cell volume: 3588.9 Cell parameters: 16.5012; 15.8634; 13.7254; 90; 92.673; 90;

COD ID: 1560027
CIF file	Formula: - C37 H37 Au B2 F8 N P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21 1 Cell volume: 1763.2 Cell parameters: 8.2911; 15.0763; 14.2431; 90; 97.96; 90;

COD ID: 1560028
CIF file	Formula: - C39 H42 Au B2 F8 N2 P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/n 1 Cell volume: 3936.5 Cell parameters: 10.2268; 8.5127; 45.347; 90; 94.336; 90;

COD ID: 1560029
CIF file	Formula: - C35 H34 Au B Cl F4 N2 P - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P 1 21/c 1 Cell volume: 3180.9 Cell parameters: 20.6017; 8.5026; 20.569; 90; 118.012; 90;

COD ID: 1560030
CIF file	Formula: - C36 H32 Au B2 Cl2 F8 O P S - Comments: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science 12(11) (2021) 3929-3936 Space group: P -1 Cell volume: 1792.6 Cell parameters: 8.0106; 12.2124; 19.0728; 99.359; 93.578; 101.894;

COD ID: 1560031
CIF file	Formula: - C52 H96 O Si8 U2 - Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954 Space group: P 21 21 21 Cell volume: 6134.1 Cell parameters: 10.5444; 18.4631; 31.5083; 90; 90; 90;

COD ID: 1560032
CIF file	Formula: - C26 H50 O Si4 U - Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954 Space group: P 1 21/n 1 Cell volume: 3080.27 Cell parameters: 17.5935; 9.977; 18.6747; 90; 110.001; 90;

COD ID: 1560033
CIF file	Formula: - C58.34 H113.47 O Si9 U2 - Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954 Space group: P -4 Cell volume: 6918.95 Cell parameters: 20.3708; 20.3708; 16.6734; 90; 90; 90;

COD ID: 1560034
CIF file	Formula: - C84 H168 Si12 U2 - Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954 Space group: P 1 21/c 1 Cell volume: 10074.9 Cell parameters: 26.7057; 15.99077; 26.5612; 90; 117.35; 90;

COD ID: 1560035
CIF file	Formula: - C24 H44 Si4 U - Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954 Space group: I 41/a :2 Cell volume: 11176 Cell parameters: 31.8409; 31.8409; 11.0234; 90; 90; 90;

COD ID: 1560036
CIF file	Formula: - C28 H52 O Si4 U - Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954 Space group: P 21 21 21 Cell volume: 3298.14 Cell parameters: 11.40224; 16.98119; 17.03377; 90; 90; 90;

COD ID: 1560037
CIF file	Formula: - C34 H48 N4 P2 - Comments: Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science 12(8) (2021) 2909-2915 Space group: P -1 Cell volume: 788.85 Cell parameters: 7.5552; 9.5169; 11.8279; 76.651; 84.11; 72.543;

COD ID: 1560038
CIF file	Formula: - C48 H58 N4 Si2 - Comments: Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science 12(8) (2021) 2909-2915 Space group: C 1 2/c 1 Cell volume: 4474 Cell parameters: 25.072; 9.1667; 19.7603; 90; 99.889; 90;

COD ID: 1560039
CIF file	Formula: - C34 H48 N4 Ni P2 - Comments: Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science 12(8) (2021) 2909-2915 Space group: P -1 Cell volume: 1631.6 Cell parameters: 10.1955; 10.3773; 16.0898; 76.412; 80.446; 88.451;

COD ID: 1560040
CIF file	Formula: - C55 H66 N4 Ni Si2 - Comments: Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science 12(8) (2021) 2909-2915 Space group: P 1 21/m 1 Cell volume: 2397.8 Cell parameters: 9.1662; 26.4418; 9.8935; 90; 90.567; 90;

COD ID: 1560078

CIF file

Formula: - C19 H13 N O -
Comments: Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science 12(10) (2021) 3580-3586
Space group: P 21 21 21
Cell volume: 1380.3
Cell parameters: 17.214; 14.4042; 5.5668; 90; 90; 90;

COD ID: 1560079

CIF file

Formula: - C19 H12 F N O -
Comments: Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science 12(10) (2021) 3580-3586
Space group: P b c a
Cell volume: 2812.9
Cell parameters: 11.8585; 10.3783; 22.8559; 90; 90; 90;

COD ID: 1560080

CIF file

Formula: - C19 H12 F N O -
Comments: Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science 12(10) (2021) 3580-3586
Space group: P 1 21/n 1
Cell volume: 1385.6
Cell parameters: 14.608; 5.4287; 18.371; 90; 107.996; 90;

COD ID: 1560081

CIF file

Formula: - C19 H12 F N O -
Comments: Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science 12(10) (2021) 3580-3586
Space group: P 1 21/c 1
Cell volume: 1419.9
Cell parameters: 8.9406; 22.597; 7.0302; 90; 91.313; 90;

COD ID: 1560082
CIF file	Formula: - C56 H63 N5 O4 - Comments: Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science 12(9) (2021) 3188-3193 Space group: P 1 21/c 1 Cell volume: 4817.98 Cell parameters: 14.7734; 17.4936; 18.6427; 90; 90.2338; 90;

COD ID: 1560083
CIF file	Formula: - C108 H98 Mn4 Mo9 N3 O43 P5 - Comments: Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science 12(4) (2021) 1240-1244 Space group: P -1 Cell volume: 6480.2 Cell parameters: 16.1432; 18.3888; 24.571; 94.772; 109.004; 106.661;

COD ID: 1560084
CIF file	Formula: - C174 H174 Cl20 Mn6 Mo18 O74 P8 - Comments: Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science 12(4) (2021) 1240-1244 Space group: P -1 Cell volume: 6236.6 Cell parameters: 17.3006; 19.39; 20.7716; 95.31; 112.975; 99.33;

COD ID: 1560085

CIF file

Formula: - C22 H33 Ir -
Comments: Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity Chemical Science 12(10) (2021) 3568-3579
Space group: P 1 21/n 1
Cell volume: 1966.73
Cell parameters: 8.01647; 16.3246; 15.049; 90; 92.985; 90;

COD ID: 1560086

CIF file

Formula: - C20 H23 Ir -
Comments: Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity Chemical Science 12(10) (2021) 3568-3579
Space group: C 1 c 1
Cell volume: 12863.5
Cell parameters: 22.2884; 22.2818; 26.1267; 90; 97.5244; 90;

COD ID: 1560094
CIF file	Formula: - C51 H48 O6 S - Comments: Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release Chemical Science 12(10) (2021) 3651-3659 Space group: P 21 21 21 Cell volume: 4642.7 Cell parameters: 8.0941; 17.5936; 32.602; 90; 90; 90;

COD ID: 1560095

CIF file

Formula: - C36 H53 B N6 O3 P2 Pd W -
Comments: Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science 12(10) (2021) 3682-3692
Space group: P 1 21/c 1
Cell volume: 4046
Cell parameters: 16.8853; 15.2569; 15.7122; 90; 91.701; 90;

COD ID: 1560096

CIF file

Formula: - C32 H48 O3 P2 Pd W -
Comments: Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science 12(10) (2021) 3682-3692
Space group: P 1 21/c 1
Cell volume: 3260.59
Cell parameters: 8.2012; 37.372; 10.9355; 90; 103.388; 90;

COD ID: 1560097
CIF file	Formula: - C21 H30 B F2 N O5 - Comments: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science 12(10) (2021) 3599-3607 Space group: P 1 21/c 1 Cell volume: 2297.4 Cell parameters: 14.1856; 17.0247; 9.5406; 90; 94.364; 90;

COD ID: 1560098
CIF file	Formula: - C22 H34 Cl2 N2 O6 Rh2 - Comments: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science 12(10) (2021) 3599-3607 Space group: P 1 21/n 1 Cell volume: 1367.63 Cell parameters: 9.2163; 11.7129; 13.3216; 90; 108.006; 90;

COD ID: 1560099
CIF file	Formula: - C14 H19 N O - Comments: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science 12(10) (2021) 3599-3607 Space group: P 21 21 21 Cell volume: 2693.21 Cell parameters: 9.9241; 11.0168; 24.6334; 90; 90; 90;

COD ID: 1560100
CIF file	Formula: - C23 H16 O - Comments: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science 12(8) (2021) 2778-2783 Space group: P 1 21/n 1 Cell volume: 1562.7 Cell parameters: 9.3347; 10.0778; 16.957; 90; 101.582; 90;

COD ID: 1560101
CIF file	Formula: - C26 H20 O - Comments: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science 12(8) (2021) 2778-2783 Space group: P 1 21/c 1 Cell volume: 1793.3 Cell parameters: 10.294; 16.632; 11.319; 90; 112.274; 90;

COD ID: 1560102
CIF file	Formula: - C26 H21 B F4 O - Comments: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science 12(8) (2021) 2778-2783 Space group: P 1 21/n 1 Cell volume: 2059.13 Cell parameters: 7.4982; 19.0172; 14.6488; 90; 99.675; 90;

COD ID: 1560103

CIF file

Formula: - C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 858.1
Cell parameters: 8.441; 8.6899; 11.8177; 97.574; 92.137; 91.817;

COD ID: 1560104

CIF file

Formula: - C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 873.67
Cell parameters: 8.4472; 8.7119; 11.9671; 97.041; 90.364; 91.558;

COD ID: 1560105

CIF file

Formula: - C2 H6 N4 S -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 568.89
Cell parameters: 6.9352; 7.0096; 12.3675; 90.894; 104.311; 101.787;

COD ID: 1560106

CIF file

Formula: - C7 Bi N7 Ni S6 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P 1 2/n 1
Cell volume: 11036.9
Cell parameters: 12.216; 36.8375; 24.5263; 90; 90.224; 90;

COD ID: 1560107

CIF file

Formula: - C6 H4 Bi N7 Ni S6 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 868.96
Cell parameters: 8.4699; 8.6913; 11.9058; 97.187; 91.149; 91.61;

COD ID: 1560108

CIF file

Formula: - C6 Bi K N6 Ni S6 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 864.46
Cell parameters: 8.5073; 8.5686; 11.9651; 97.573; 89.781; 90.997;

COD ID: 1560109

CIF file

Formula: - C0.92 Bi0.15 N1.25 Ni0.17 S0.86 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P n -3 :2
Cell volume: 1782.69
Cell parameters: 12.12528; 12.12528; 12.12528; 90; 90; 90;

COD ID: 1560111

CIF file

Formula: - C74 H86 Li4 O2 P2 Si4 -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P -1
Cell volume: 1711.6
Cell parameters: 11.4716; 12.6646; 12.7092; 85.944; 86.346; 68.446;

COD ID: 1560112

CIF file

Formula: - C37 H32 O5 P2 Si2 W -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P 1 21/c 1
Cell volume: 3598.5
Cell parameters: 10.6448; 12.9069; 26.22; 90; 92.664; 90;

COD ID: 1560113

CIF file

Formula: - C32 H32 P2 Si2 -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P 1 21/c 1
Cell volume: 2866
Cell parameters: 12.2157; 10.4934; 22.6538; 90; 99.262; 90;

COD ID: 1560114

CIF file

Formula: - C53 H60 Cl2 O4 P2 Si4 -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P 1 21/n 1
Cell volume: 5240.5
Cell parameters: 10.1186; 18.8541; 27.477; 90; 91.367; 90;

COD ID: 1560116
CIF file	Formula: - C12 H32 Cl5 N4 Ti2 - Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515 Space group: P n a 21 Cell volume: 2182.1 Cell parameters: 19.796; 8.413; 13.102; 90; 90; 90;

COD ID: 1560117

CIF file

Formula: - C14 H36 Cl10 N4 Ti2 -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: P 1 21/c 1
Cell volume: 2933.6
Cell parameters: 13.348; 13.855; 17.166; 90; 112.468; 90;

COD ID: 1560118

CIF file

Formula: - C10 H24 Cl3 N2 O Ti -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: P 1 21/n 1
Cell volume: 1597.4
Cell parameters: 10.972; 12.308; 12.075; 90; 101.587; 90;

COD ID: 1560119

CIF file

Formula: - C13 H34 Cl4 N4 Ti2 -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: C 1 2/c 1
Cell volume: 2233.7
Cell parameters: 23.348; 8.843; 12.648; 90; 121.198; 90;

COD ID: 1560120

CIF file

Formula: - C6 H16 Cl I N2 Zn -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: C 1 2/c 1
Cell volume: 2354.5
Cell parameters: 23.149; 7.256; 15.032; 90; 111.169; 90;

COD ID: 1560121
CIF file	Formula: - C13 H34 I2 N4 Zn2 - Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515 Space group: P 21 21 21 Cell volume: 2245 Cell parameters: 11.494; 13.09; 14.921; 90; 90; 90;

COD ID: 1560122

CIF file

Formula: - C24 H28 N2 O6 -
Comments: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science 12(9) (2021) 3264-3269
Space group: P 1 21 1
Cell volume: 1123.69
Cell parameters: 18.5604; 7.5949; 8.0212; 90; 96.383; 90;

COD ID: 1560123

CIF file

Formula: - C24 H28 N2 O6 -
Comments: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science 12(9) (2021) 3264-3269
Space group: C 1 2 1
Cell volume: 2279.66
Cell parameters: 17.9007; 6.3022; 20.9554; 90; 105.356; 90;

COD ID: 1560124

CIF file

Formula: - C24.63 H29.26 N2 O6.32 -
Comments: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science 12(9) (2021) 3264-3269
Space group: C 1 2 1
Cell volume: 2293.19
Cell parameters: 17.8855; 6.3218; 21.0313; 90; 105.346; 90;

COD ID: 1560125

CIF file

Formula: - C24 H20 O4 -
Comments: Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science 12(10) (2021) 3726-3732
Space group: P 21 21 21
Cell volume: 4078.52
Cell parameters: 8.9924; 19.5139; 23.2425; 90; 90; 90;

COD ID: 1560126

CIF file

Formula: - C25 H18 O2 -
Comments: Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science 12(10) (2021) 3726-3732
Space group: P 1
Cell volume: 1103.26
Cell parameters: 8.6935; 11.1218; 12.2142; 87.376; 70.785; 81.619;

Back to the search form
Your own data is not in the COD? Deposit it, thanks!