Crystallography Open Database

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Searching journal of publication like 'Chemical science' volume of publication is 17

COD ID: 1576078
CIF file Formula: - C10 H26 B6 Os -
Comments: Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal All-boron analogue of planar benzene on an osmium template. Chemical science 17(1) (2026) 196-204
Space group: P 1 21 1
Cell volume: 754.41
Cell parameters: 7.1489; 13.4533; 8.2583; 90; 108.226; 90;  

COD ID: 1576079
CIF file Formula: - C10 H24 B4 Os -
Comments: Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal All-boron analogue of planar benzene on an osmium template. Chemical science 17(1) (2026) 196-204
Space group: P 21 21 21
Cell volume: 1477.58
Cell parameters: 8.1325; 12.8806; 14.1056; 90; 90; 90;  

COD ID: 1576080
CIF file Formula: - C10 H27 B5 Os -
Comments: Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal All-boron analogue of planar benzene on an osmium template. Chemical science 17(1) (2026) 196-204
Space group: P n a 21
Cell volume: 1513.19
Cell parameters: 13.9545; 8.2607; 13.1269; 90; 90; 90;  

COD ID: 1576135
CIF file Formula: - C Br3 N2 Pb0.84 Sn0.16 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 211.46
Cell parameters: 5.9577; 5.9577; 5.9577; 90; 90; 90;  

COD ID: 1576136
CIF file Formula: - C Br3 N2 Pb0.21 Sn0.79 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 211.6
Cell parameters: 5.959; 5.959; 5.959; 90; 90; 90;  

COD ID: 1576137
CIF file Formula: - C1.232 H6.159 Br3 N2 Pb0.22 Sn0.664 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 218.31
Cell parameters: 6.0213; 6.0213; 6.0213; 90; 90; 90;  

COD ID: 1576138
CIF file Formula: - C0.888 H0 Br3 N1.759 Sn0.944 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 218.45
Cell parameters: 6.0226; 6.0226; 6.0226; 90; 90; 90;  

COD ID: 1576139
CIF file Formula: - C1.121 H5.602 Br3 N2 Pb0.418 Sn0.522 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 216.81
Cell parameters: 6.0075; 6.0075; 6.0075; 90; 90; 90;  

COD ID: 1576140
CIF file Formula: - C1.356 H6.78 Br3 N2 Pb0.422 Sn0.4 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 219.42
Cell parameters: 6.0315; 6.0315; 6.0315; 90; 90; 90;  

COD ID: 1576141
CIF file Formula: - C Br3 N2 Pb0.5 Sn0.5 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 211.89
Cell parameters: 5.9617; 5.9617; 5.9617; 90; 90; 90;  

COD ID: 1576142
CIF file Formula: - C1.245 H6.225 Br3 N2 Pb0.693 Sn0.185 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 217.44
Cell parameters: 6.0133; 6.0133; 6.0133; 90; 90; 90;  

COD ID: 1576143
CIF file Formula: - C1.45 H7.254 Br3 N2 Pb0.607 Sn0.168 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 222.17
Cell parameters: 6.0566; 6.0566; 6.0566; 90; 90; 90;  

COD ID: 1576144
CIF file Formula: - C1.11 H5.552 Br3 N2 Pb0.753 Sn0.187 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 218.2
Cell parameters: 6.0203; 6.0203; 6.0203; 90; 90; 90;  

COD ID: 1576145
CIF file Formula: - C1.35 H6.75 Br3 N2 Pb0.648 Sn0.177 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 220.12
Cell parameters: 6.0379; 6.0379; 6.0379; 90; 90; 90;  

COD ID: 1576146
CIF file Formula: - C1.198 H5.979 Br3 N2 Sn0.902 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 219.52
Cell parameters: 6.0324; 6.0324; 6.0324; 90; 90; 90;  

COD ID: 1576147
CIF file Formula: - C1.275 H6.378 Br3 N2 Sn0.862 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 219.79
Cell parameters: 6.0349; 6.0349; 6.0349; 90; 90; 90;  

COD ID: 1576148
CIF file Formula: - C1.332 H6.65 Br3 N2 Sn0.835 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 220.03
Cell parameters: 6.0371; 6.0371; 6.0371; 90; 90; 90;  

COD ID: 1576149
CIF file Formula: - C1.38 H6.53 Br3 N2 Pb0.422 Sn0.425 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 220.491
Cell parameters: 6.0413; 6.0413; 6.0413; 90; 90; 90;  

COD ID: 1576150
CIF file Formula: - C1.093 H5.5 Br3 N2 Pb0.237 Sn0.716 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 215.68
Cell parameters: 5.997; 5.997; 5.997; 90; 90; 90;  

COD ID: 1576151
CIF file Formula: - C1.341 H6.684 Br3 N2 Pb0.22 Sn0.611 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 223.03
Cell parameters: 6.0644; 6.0644; 6.0644; 90; 90; 90;  

COD ID: 1576152
CIF file Formula: - C1.275 H6.378 Br3 N2 Pb0.225 Sn0.638 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 220.47
Cell parameters: 6.0411; 6.0411; 6.0411; 90; 90; 90;  

COD ID: 1576153
CIF file Formula: - C1.226 H5.966 Br3 N2 Pb0.429 Sn0.474 -
Comments: Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Tuning optical properties and local lone-pair off-centering in "hollow" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites. Chemical science 17(1) (2026) 526-543
Space group: P m -3 m
Cell volume: 218.56
Cell parameters: 6.0236; 6.0236; 6.0236; 90; 90; 90;  

COD ID: 1576154
CIF file Formula: - C93 H142 N6 P6 -
Comments: Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M. Exceptionally large "through-space" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene. Chemical science 17(1) (2026) 544-554
Space group: C 1 2/c 1
Cell volume: 37570.4
Cell parameters: 48.656; 15.8779; 48.7057; 90; 93.165; 90;  

COD ID: 1576155
CIF file Formula: - C54 H76 N4 P4 -
Comments: Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M. Exceptionally large "through-space" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene. Chemical science 17(1) (2026) 544-554
Space group: P -1
Cell volume: 2598.1
Cell parameters: 13.5678; 13.7534; 15.5834; 79.661; 86.029; 65.26;  

COD ID: 1576156
CIF file Formula: - C87 H128 N6 P6 -
Comments: Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M. Exceptionally large "through-space" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene. Chemical science 17(1) (2026) 544-554
Space group: P 1 21/c 1
Cell volume: 8472.3
Cell parameters: 12.8201; 21.8399; 30.291; 90; 92.626; 90;  

COD ID: 1576157
CIF file Formula: - C24 H27 Cl3 Ir N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P n a 21
Cell volume: 4983.5
Cell parameters: 16.5538; 8.328; 36.149; 90; 90; 90;  

COD ID: 1576158
CIF file Formula: - C21 H25 Cl2 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 21 21 21
Cell volume: 2175.1
Cell parameters: 8.5814; 11.8073; 21.467; 90; 90; 90;  

COD ID: 1576159
CIF file Formula: - C25 H33 Cl Co N3 S -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 21 21 21
Cell volume: 2491.04
Cell parameters: 10.7384; 12.7561; 18.1854; 90; 90; 90;  

COD ID: 1576160
CIF file Formula: - C25 H33 Cl2 Co N3 S -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 2628.6
Cell parameters: 15.7078; 9.7905; 18.7603; 90; 114.343; 90;  

COD ID: 1576161
CIF file Formula: - C30 H36 Cl5 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 3191.4
Cell parameters: 14.2795; 10.5999; 21.1288; 90; 93.703; 90;  

COD ID: 1576162
CIF file Formula: - C22 H28 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 1041.15
Cell parameters: 11.1019; 8.0219; 12.0462; 90; 103.955; 90;  

COD ID: 1576163
CIF file Formula: - C32 H41 Co N4 -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 21 21 21
Cell volume: 5891
Cell parameters: 10.8009; 11.5483; 47.229; 90; 90; 90;  

COD ID: 1576164
CIF file Formula: - C30 H38 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 21 21 21
Cell volume: 2772.64
Cell parameters: 9.2773; 14.4865; 20.6304; 90; 90; 90;  

COD ID: 1576165
CIF file Formula: - C29 H35 Cl Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1
Cell volume: 2654.4
Cell parameters: 12.19; 12.9109; 16.9559; 95.359; 91.044; 92.146;  

COD ID: 1576166
CIF file Formula: - C31 H38 Cl2 Co N4 -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 21 21 21
Cell volume: 5983
Cell parameters: 15.7505; 18.8119; 20.1927; 90; 90; 90;  

COD ID: 1576167
CIF file Formula: - C15 H15 N O3 S -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 698.16
Cell parameters: 8.0536; 5.2646; 16.5289; 90; 94.986; 90;  

COD ID: 1576168
CIF file Formula: - C46 H70 Cl4 Co2 N6 O4 -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 2497.5
Cell parameters: 13.5345; 10.737; 17.4919; 90; 100.729; 90;  

COD ID: 1576169
CIF file Formula: - C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21/c 1
Cell volume: 5730.52
Cell parameters: 17.3643; 21.3942; 15.459; 90; 93.77; 90;  

COD ID: 1576170
CIF file Formula: - C26 H36 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 1256.6
Cell parameters: 9.3878; 11.3926; 12.0509; 90; 102.847; 90;  

COD ID: 1576171
CIF file Formula: - C20 H30 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: C 1 2 1
Cell volume: 1925.37
Cell parameters: 24.2715; 6.0591; 13.7733; 90; 108.095; 90;  

COD ID: 1576172
CIF file Formula: - C35 H40 Cl Co N4 -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 1540.15
Cell parameters: 10.3786; 12.1026; 12.7904; 90; 106.534; 90;  

COD ID: 1576173
CIF file Formula: - C25 H33 Cl2 Co N3 O -
Comments: Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>. Chemical science 17(1) (2026) 492-499
Space group: P 1 21 1
Cell volume: 2554.9
Cell parameters: 16.9108; 9.8083; 15.5403; 90; 97.61; 90;  

COD ID: 1576185
CIF file Formula: - C111 H112 B2 N4 P2 S2 -
Comments: Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials. Chemical science 17(1) (2026) 274-282
Space group: P -1
Cell volume: 2231.1
Cell parameters: 11.4849; 14.1923; 16.0109; 66.987; 69.582; 75.458;  

COD ID: 1576186
CIF file Formula: - C59 H60 B N2 O P -
Comments: Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials. Chemical science 17(1) (2026) 274-282
Space group: P -1
Cell volume: 2355.3
Cell parameters: 10.7415; 13.639; 16.481; 92.727; 97.742; 99.273;  

COD ID: 1576187
CIF file Formula: - C212 H216 B4 Cl8 N8 P4 Se4 -
Comments: Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials. Chemical science 17(1) (2026) 274-282
Space group: P -1
Cell volume: 4683.4
Cell parameters: 11.912; 19.904; 21.598; 105.673; 93.452; 106.204;  

COD ID: 1576192
CIF file Formula: - C50 H34 N4 O8 P2 -
Comments: Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping Catalytic asymmetric construction of remote P or other heteroatom (Si/S) stereogenic axially chiral scaffolds. Chemical science 17(1) (2026) 240-246
Space group: P 21 21 21
Cell volume: 4104.9
Cell parameters: 14.0473; 15.0466; 19.4211; 90; 90; 90;  

COD ID: 1576193
CIF file Formula: - C39 H30 Cl N2 O2 P2 -
Comments: Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping Catalytic asymmetric construction of remote P or other heteroatom (Si/S) stereogenic axially chiral scaffolds. Chemical science 17(1) (2026) 240-246
Space group: C 1 2 1
Cell volume: 3378.5
Cell parameters: 16.097; 8.807; 25.224; 90; 109.127; 90;  

COD ID: 1576195
CIF file Formula: - C19 H13 Br N2 O3 Se -
Comments: Zhou, Wei; Wang, Yan; Zhang, Shuning; Zhang, Chengwei; Pang, Jiacheng; Hou, Shaoneng; Li, Jie; Yao, Ying; Su, An; Ma, Peixiang; Xu, Hongtao; Hou, Wei Highly selective and AI-predictable Se-N exchange chemistry between benzoselenazolones and boronic acids for programmable, parallel, and DNA-encoded library synthesis. Chemical science 17(1) (2026) 225-239
Space group: P b c a
Cell volume: 3521.8
Cell parameters: 11.205; 8.3911; 37.457; 90; 90; 90;  

COD ID: 1576196
CIF file Formula: - C28 H25 N3 O4 Pd -
Comments: Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M. Hangman dipyrrin complexes. Chemical science 17(1) (2026) 602-616
Space group: P -1
Cell volume: 1192.22
Cell parameters: 7.3114; 10.4814; 16.3409; 105.447; 92.784; 97.477;  

COD ID: 1576197
CIF file Formula: - C44 H32 N6 O4 Zn -
Comments: Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M. Hangman dipyrrin complexes. Chemical science 17(1) (2026) 602-616
Space group: I 41/a :2
Cell volume: 7363.7
Cell parameters: 21.5097; 21.5097; 15.9157; 90; 90; 90;  

COD ID: 1576198
CIF file Formula: - C48 H44 N6 O6 Pd S2 -
Comments: Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M. Hangman dipyrrin complexes. Chemical science 17(1) (2026) 602-616
Space group: C 1 2/c 1
Cell volume: 4254.4
Cell parameters: 38.9049; 5.6739; 24.1051; 90; 126.913; 90;  

COD ID: 1576199
CIF file Formula: - C28 H25 N3 O4 Pd -
Comments: Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M. Hangman dipyrrin complexes. Chemical science 17(1) (2026) 602-616
Space group: P 1 21/n 1
Cell volume: 2422
Cell parameters: 7.0141; 17.2303; 20.2314; 90; 97.876; 90;  

COD ID: 1576200
CIF file Formula: - C46 H36 N6 O4 Zn -
Comments: Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M. Hangman dipyrrin complexes. Chemical science 17(1) (2026) 602-616
Space group: I 41/a :2
Cell volume: 7372.5
Cell parameters: 21.7492; 21.7492; 15.5858; 90; 90; 90;  

COD ID: 1576201
CIF file Formula: - C69 H54 Co N9 O6 -
Comments: Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M. Hangman dipyrrin complexes. Chemical science 17(1) (2026) 602-616
Space group: P a -3
Cell volume: 13143.8
Cell parameters: 23.5997; 23.5997; 23.5997; 90; 90; 90;  

COD ID: 1576202
CIF file Formula: - C47 H72 Cs F N O8 P -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P 1 21/n 1
Cell volume: 4926
Cell parameters: 9.9121; 23.2605; 21.4065; 90; 93.563; 90;  

COD ID: 1576203
CIF file Formula: - C43 H52 N O2 P -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P -1
Cell volume: 1941.96
Cell parameters: 12.0403; 12.4082; 14.2936; 102.973; 98.828; 106.389;  

COD ID: 1576204
CIF file Formula: - C72 H90 N2 O4 P2 -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P 1 21/c 1
Cell volume: 6663.7
Cell parameters: 12.6836; 44.721; 11.8935; 90; 98.973; 90;  

COD ID: 1576205
CIF file Formula: - C52 H83 K N O8 P -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P -1
Cell volume: 2654.3
Cell parameters: 9.2969; 15.9116; 18.7341; 79.756; 79.904; 79.803;  

COD ID: 1576206
CIF file Formula: - C56 H89 K N O10 P -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P 1 21/c 1
Cell volume: 5962.5
Cell parameters: 14.5374; 21.5756; 19.1473; 90; 96.87; 90;  

COD ID: 1576207
CIF file Formula: - C41.25 H51.75 F0.75 N O2 P -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P 1 21/n 1
Cell volume: 3767.2
Cell parameters: 10.5896; 15.6048; 22.7972; 90; 90.184; 90;  

COD ID: 1576208
CIF file Formula: - C78 H95 F N2 O4 P2 -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P -1
Cell volume: 3489.12
Cell parameters: 14.5273; 16.7003; 17.1757; 118.647; 101.045; 96.322;  

COD ID: 1576209
CIF file Formula: - C86 H128 Li4 N4 O7 P2 -
Comments: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides. Chemical science 17(1) (2026) 579-584
Space group: P 1 21/c 1
Cell volume: 4519.9
Cell parameters: 12.2271; 19.3733; 19.2094; 90; 96.632; 90;  

COD ID: 1576226
CIF file Formula: - C16 H14 F4 N O2 P -
Comments: Pan, Ailin; Rotella, Madeline E.; Meng, Yamiao; Tian, Xun; Duan, Shengzu; Jiang, Yonggang; Deng, Guogang; Limburg, Bart; Zhang, Hongbin; Kozlowski, Marisa C.; Walsh, Patrick J.; Yang, Xiaodong 1,2-Hydrogen atom transfer of aminyl radicals under photoredox catalysis for the synthesis of α-amino phosphine oxides. Chemical science 17(1) (2026) 412-420
Space group: C 1 2/c 1
Cell volume: 3107.43
Cell parameters: 17.9924; 11.0902; 15.8252; 90; 100.242; 90;  

COD ID: 1576233
CIF file Formula: - C55 H12 Ag B2 F36 N -
Comments: Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>. Chemical science 17(1) (2026) 406-411
Space group: P -1
Cell volume: 2525.49
Cell parameters: 11.4773; 15.0019; 17.379; 111.95; 96.586; 109.074;  

COD ID: 1576234
CIF file Formula: - C43.7 H6.2 Ag B2 Cl6.2 F30 N Ni0.9 O3.6 -
Comments: Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>. Chemical science 17(1) (2026) 406-411
Space group: P 1 21/c 1
Cell volume: 5118.1
Cell parameters: 13.288; 28.0807; 13.7219; 90; 91.614; 90;  

COD ID: 1576434
CIF file Formula: - C8 H9 N O6 Zn -
Comments: Zhang, Tongtong; Wang, Xiangyu; Wright, Jack D.; Whitehead, George F. S.; Tidey, Jeremiah P.; Wong, Lu Shin; Riddell, Imogen A. Enhanced stability and reusability of recombinant silicatein upon biomimetic metal-organic framework crystallization. Chemical science 17(6) (2026) 3141-3147
Space group: P 1 21/c 1
Cell volume: 909.53
Cell parameters: 9.5078; 6.4427; 14.9087; 90; 95.172; 90;  

COD ID: 1576435
CIF file Formula: - C37 H66 Au Br N2 O2 -
Comments: Nezamzadeh, Ahmadreza; Chowdhury, Shayanta; Hu, Gaohe; Dominique, Nathaniel L.; Desroche, Emmett; Hossain, Sakiat; Aloisio, Mark D.; Furlan, Michael; Groome, Ryan R. K.; Boire, Kayla; McLean, Alastair B.; Jensen, Lasse; Camden, Jon P.; Crudden, Cathleen M. Beyond wingtips: backbone alkylation affects the orientation of N-heterocyclic carbenes on gold nanoparticles. Chemical science 17(13) (2026) 6717-6726
Space group: P 1 21/c 1
Cell volume: 3972.6
Cell parameters: 10.6121; 11.5625; 32.624; 90; 97.069; 90;  

COD ID: 1576436
CIF file Formula: - C35 H62 Au Br N2 O2 -
Comments: Nezamzadeh, Ahmadreza; Chowdhury, Shayanta; Hu, Gaohe; Dominique, Nathaniel L.; Desroche, Emmett; Hossain, Sakiat; Aloisio, Mark D.; Furlan, Michael; Groome, Ryan R. K.; Boire, Kayla; McLean, Alastair B.; Jensen, Lasse; Camden, Jon P.; Crudden, Cathleen M. Beyond wingtips: backbone alkylation affects the orientation of N-heterocyclic carbenes on gold nanoparticles. Chemical science 17(13) (2026) 6717-6726
Space group: P 1 21/n 1
Cell volume: 3906.18
Cell parameters: 10.605; 32.8095; 11.2301; 90; 91.462; 90;  

COD ID: 1576437
CIF file Formula: - C133 H144 B N7 -
Comments: Wang, Xingtian; Chen, Jianxing; Ni, Songqian; Hu, Yu; Dai, Haorun; Xiao, Zezhu; Zhu, Weiguo; Chou, Pi-Tai; Wu, Xiugang A TADF sensitizer moiety decorated MR emitter for enhancing spin-flip and anti-ACQ. Chemical science 17(13) (2026) 6702-6709
Space group: P -1
Cell volume: 6396.7
Cell parameters: 14.1966; 18.2589; 27.0023; 103.529; 98.747; 105.155;  

COD ID: 1576438
CIF file Formula: - C10.5 H12.5 S0.5 Si0.5 -
Comments: Isogai, Ryosuke; Yasui, Kosuke; Fukazawa, Aiko Modular synthesis of benzothiophene-fused pentalenes reveals substituent-dependent antiaromaticity. Chemical science 17(6) (2026) 3005-3011
Space group: P -1
Cell volume: 978.4
Cell parameters: 8.3908; 8.8613; 13.4687; 97.962; 99.148; 90.96;  

COD ID: 1576439
CIF file Formula: - C30 H26 O2 -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P -1
Cell volume: 1047.75
Cell parameters: 7.6823; 10.0325; 14.5626; 75.757; 79.327; 76.421;  

COD ID: 1576440
CIF file Formula: - C32 H30 O3 -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P 1 21/c 1
Cell volume: 2403.98
Cell parameters: 17.3008; 7.44911; 18.6556; 90; 90.8618; 90;  

COD ID: 1576441
CIF file Formula: - C35 H23 Cl3 O2 -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P 1 21/c 1
Cell volume: 2689.59
Cell parameters: 13.3054; 17.9492; 12.5807; 90; 116.469; 90;  

COD ID: 1576442
CIF file Formula: - C30 H23 F3 O4 S -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P 1 21/c 1
Cell volume: 2366.91
Cell parameters: 10.3677; 13.9097; 16.4888; 90; 95.504; 90;  

COD ID: 1576443
CIF file Formula: - C36 H26 O4 -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P -1
Cell volume: 1240.52
Cell parameters: 8.01237; 11.7893; 14.1489; 108.787; 98.5955; 94.2027;  

COD ID: 1576444
CIF file Formula: - C30.75 H25.75 Cl2.25 O2 -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P 1 21/n 1
Cell volume: 11082.3
Cell parameters: 19.8054; 23.0253; 25.2516; 90; 105.763; 90;  

COD ID: 1576445
CIF file Formula: - C60 H44 F6 O8 S2 -
Comments: Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation. Chemical science 17(10) (2026) 4942-4947
Space group: P -1
Cell volume: 2995.2
Cell parameters: 11.2328; 11.3152; 24.1172; 97.562; 99.303; 91.481;  

COD ID: 1576446
CIF file Formula: - C43 H28 B N -
Comments: Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption. Chemical science 17(13) (2026) 6426-6437
Space group: P -1
Cell volume: 2929
Cell parameters: 14.347; 14.439; 15.615; 105.046; 92.561; 108.743;  

COD ID: 1576447
CIF file Formula: - C62 H32 B Cl3 F10 N2 -
Comments: Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption. Chemical science 17(13) (2026) 6426-6437
Space group: P 1 21/c 1
Cell volume: 4810.5
Cell parameters: 27.5353; 13.9114; 12.6024; 90; 94.797; 90;  

COD ID: 1576448
CIF file Formula: - C12 H15 N O3 S -
Comments: Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A. Photochemical cyclization of α-amino esters to access 3-azetidinones. Chemical science 17(13) (2026) 6766-6772
Space group: P 1 21/n 1
Cell volume: 1232.29
Cell parameters: 12.69645; 5.25071; 18.54221; 90; 94.5151; 90;  

COD ID: 1576449
CIF file Formula: - C22.5 H25 Cl F3 N3 O6 S2 -
Comments: Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A. Photochemical cyclization of α-amino esters to access 3-azetidinones. Chemical science 17(13) (2026) 6766-6772
Space group: C 1 2/c 1
Cell volume: 5244.9
Cell parameters: 25.0211; 8.3937; 25.1936; 90; 97.585; 90;  

COD ID: 1576450
CIF file Formula: - C20 H27 N3 O3 -
Comments: Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A. Photochemical cyclization of α-amino esters to access 3-azetidinones. Chemical science 17(13) (2026) 6766-6772
Space group: P 21 21 21
Cell volume: 1927.1
Cell parameters: 10.6584; 10.8794; 16.6188; 90; 90; 90;  

COD ID: 1576451
CIF file Formula: - C39 H24 Fe N3 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P -3 c 1
Cell volume: 2990.2
Cell parameters: 15.067; 15.067; 15.2096; 90; 90; 120;  

COD ID: 1576452
CIF file Formula: - C59 H76 Fe K N5 O8 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P -1
Cell volume: 2701.86
Cell parameters: 12.9303; 13.4933; 15.5169; 91.84; 90.531; 93.057;  

COD ID: 1576453
CIF file Formula: - C94 H92 Ce Fe2 N13 O26 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P -1
Cell volume: 2284.72
Cell parameters: 11.9758; 13.1767; 16.3831; 105.165; 106.901; 101.067;  

COD ID: 1576454
CIF file Formula: - C57 H60 Fe K N5 O6 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P 1 21/n 1
Cell volume: 5061.33
Cell parameters: 12.6152; 13.0318; 31.199; 90; 99.323; 90;  

COD ID: 1576455
CIF file Formula: - C62 H83 Fe K N5 O8 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P -1
Cell volume: 5791.04
Cell parameters: 17.7676; 19.7393; 20.0446; 114.699; 111.755; 91.604;  

COD ID: 1576456
CIF file Formula: - C47 H73 Br Fe Mg O5 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P 1 21/n 1
Cell volume: 4665
Cell parameters: 12.4231; 17.6759; 21.3412; 90; 95.467; 90;  

COD ID: 1576457
CIF file Formula: - C51 H54 F6 Fe K N5 O6 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: R 3 c :H
Cell volume: 14017
Cell parameters: 14.6616; 14.6616; 75.294; 90; 90; 120;  

COD ID: 1576458
CIF file Formula: - C36 H30 Fe N3 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: R -3 :H
Cell volume: 5633.4
Cell parameters: 15.075; 15.075; 28.6238; 90; 90; 120;  

COD ID: 1576459
CIF file Formula: - C33 H18 F6 Fe N3 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P 1 21/n 1
Cell volume: 2573.17
Cell parameters: 9.105; 23.3523; 12.2189; 90; 97.931; 90;  

COD ID: 1576460
CIF file Formula: - C40 H38 Fe N3 O -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P 1 21/n 1
Cell volume: 3114.56
Cell parameters: 15.0862; 9.9544; 20.7463; 90; 91.446; 90;  

COD ID: 1576461
CIF file Formula: - C33 H15 F9 Fe N3 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P 1 21/n 1
Cell volume: 2677.47
Cell parameters: 9.4612; 23.5947; 12.1155; 90; 98.122; 90;  

COD ID: 1576462
CIF file Formula: - C33 H24 Fe N3 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P -3 c 1
Cell volume: 3651.02
Cell parameters: 16.5115; 16.5115; 15.4636; 90; 90; 120;  

COD ID: 1576463
CIF file Formula: - C48 H72 Fe Mg O6 -
Comments: Radović, Aleksa; Healy, Maria C.; Datta, Arnadeep; Das, Deborshee; Cai, Likun; Diaz, Steven; Gogoi, Achyut Ranjan; Wolford, Nikki J.; Carpenter, Stephanie H.; Brenessel, William W.; McCamant, David; Gutierrez, Osvaldo; Neidig, Michael L. Iron tris-mesityl: a homoleptic iron(ii) ferrate species for directed C-H activation. Chemical science 17(14) (2026) 7002-7009
Space group: P 21 21 21
Cell volume: 4714.1
Cell parameters: 12.381; 15.9336; 23.8962; 90; 90; 90;  

COD ID: 1576464
CIF file Formula: - C32 H64 B40 Cu4 N4 O6 -
Comments: Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes. Chemical science 17(14) (2026) 7194-7202
Space group: P -1
Cell volume: 1611.64
Cell parameters: 7.3682; 10.1761; 22.8548; 85.791; 86.643; 70.673;  

COD ID: 1576465
CIF file Formula: - C19 H23 B10 N -
Comments: Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes. Chemical science 17(14) (2026) 7194-7202
Space group: P 1 21/c 1
Cell volume: 2020.83
Cell parameters: 17.4659; 6.6516; 18.7605; 90; 111.999; 90;  

COD ID: 1576466
CIF file Formula: - C30 H42 B20 N2 -
Comments: Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes. Chemical science 17(14) (2026) 7194-7202
Space group: P 1 21/c 1
Cell volume: 3718.3
Cell parameters: 6.6233; 12.6036; 44.544; 90; 90.489; 90;  

COD ID: 1576467
CIF file Formula: - C26 H41 B20 N2 S2 -
Comments: Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes. Chemical science 17(14) (2026) 7194-7202
Space group: P 1 21 1
Cell volume: 1816.3
Cell parameters: 6.8; 12.42; 21.506; 90; 90.303; 90;  

COD ID: 1576468
CIF file Formula: - C16 H28 B10 N2 O -
Comments: Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes. Chemical science 17(14) (2026) 7194-7202
Space group: P 1 21/c 1
Cell volume: 2153.81
Cell parameters: 11.989; 22.5139; 8.2685; 90; 105.194; 90;  

COD ID: 1576469
CIF file Formula: - C64 H72 N4 O18 S4 -
Comments: Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio <i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH. Chemical science 17(6) (2026) 3293-3299
Space group: P 1 21/c 1
Cell volume: 6408.5
Cell parameters: 21.9582; 15.4314; 20.0065; 90; 109.032; 90;  

COD ID: 1576470
CIF file Formula: - C68.75 H67 F12 N4 Na5 O24.75 S8 -
Comments: Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio <i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH. Chemical science 17(6) (2026) 3293-3299
Space group: I 1 2/c 1
Cell volume: 9204
Cell parameters: 20.84; 19.926; 22.459; 90; 99.284; 90;  

COD ID: 1576471
CIF file Formula: - C28.5 H29 B3 Cl N2 Os P Se2 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P -1
Cell volume: 3056.97
Cell parameters: 11.117; 15.9224; 17.8651; 78.036; 81.905; 84.906;  

COD ID: 1576472
CIF file Formula: - C48 H47 B2 N Os P2 Se2 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P 1 21/n 1
Cell volume: 4457.7
Cell parameters: 11.0801; 11.7542; 34.23; 90; 90.696; 90;  

COD ID: 1576473
CIF file Formula: - C28 H23 Cl N2 Os P Se2 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P 1 21/n 1
Cell volume: 2706.2
Cell parameters: 12.1253; 18.0329; 12.381; 90; 91.515; 90;  

COD ID: 1576474
CIF file Formula: - C10 H21 B7 N2 Os Se2 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P 1 21/c 1
Cell volume: 1775.04
Cell parameters: 12.7281; 9.4036; 15.1331; 90; 101.48; 90;  

COD ID: 1576475
CIF file Formula: - C46 H38 N2 Os P2 Se2 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P 1 21/c 1
Cell volume: 3954.3
Cell parameters: 19.9615; 17.6882; 11.2486; 90; 95.367; 90;  

COD ID: 1576476
CIF file Formula: - C41 H34 Cl2 N Os P2 Se -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P 1 21/n 1
Cell volume: 3638.8
Cell parameters: 9.5636; 15.361; 25.2268; 90; 100.93; 90;  

COD ID: 1576477
CIF file Formula: - C28 H33 B4 N2 Os P Se2 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P n a 21
Cell volume: 2980.72
Cell parameters: 15.3411; 9.6807; 20.0705; 90; 90; 90;  

COD ID: 1576478
CIF file Formula: - C51 H39 B2 F12 N2 Os P Se3 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P 1 21/n 1
Cell volume: 4954.1
Cell parameters: 10.8616; 30.8022; 14.9297; 90; 97.324; 90;  

COD ID: 1576479
CIF file Formula: - C69.5 H49 B F12 N2 Os P2 S4 -
Comments: Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes. Chemical science 17(6) (2026) 3129-3140
Space group: P -1
Cell volume: 12087.5
Cell parameters: 20.9226; 24.4708; 24.7349; 73.662; 84.215; 87.098;  

COD ID: 1576480
CIF file Formula: - C11 H10 F N O3 S -
Comments: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A. Chemical science 17(6) (2026) 3313-3319
Space group: P 21 21 21
Cell volume: 1160.14
Cell parameters: 5.8549; 10.5165; 18.8417; 90; 90; 90;  

COD ID: 1576481
CIF file Formula: - C11 H11 F I N O3 S -
Comments: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A. Chemical science 17(6) (2026) 3313-3319
Space group: P -1
Cell volume: 636.584
Cell parameters: 7.3211; 8.0126; 11.5027; 81.753; 75.228; 78.644;  

COD ID: 1576482
CIF file Formula: - C10 H8 F N O3 S -
Comments: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A. Chemical science 17(6) (2026) 3313-3319
Space group: P 1 21 1
Cell volume: 522.91
Cell parameters: 7.4669; 7.9789; 9.334; 90; 109.895; 90;  

COD ID: 1576483
CIF file Formula: - C5 H7 F I N O3 S -
Comments: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A. Chemical science 17(6) (2026) 3313-3319
Space group: C 1 2/c 1
Cell volume: 1771.31
Cell parameters: 14.3378; 5.8654; 21.9011; 90; 105.905; 90;  

COD ID: 1576484
CIF file Formula: - C20 H18 F2 I2 N2 O6 S2 -
Comments: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A. Chemical science 17(6) (2026) 3313-3319
Space group: P -1
Cell volume: 603.94
Cell parameters: 7.6473; 7.7662; 10.9617; 74.713; 77.55; 77.289;  

COD ID: 1576485
CIF file Formula: - C22 H24 F N O7 S -
Comments: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A. Chemical science 17(6) (2026) 3313-3319
Space group: P 1 21/c 1
Cell volume: 2163.67
Cell parameters: 10.9165; 16.1273; 12.2969; 90; 91.946; 90;  

COD ID: 1576486
CIF file Formula: - C52 H56 Si2 -
Comments: Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model. Chemical science 17(13) (2026) 6653-6661
Space group: I 1 2/a 1
Cell volume: 8139.7
Cell parameters: 29.5583; 7.7632; 37.7963; 90; 110.197; 90;  

COD ID: 1576487
CIF file Formula: - C60 H60 Si2 -
Comments: Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model. Chemical science 17(13) (2026) 6653-6661
Space group: C 1 2/c 1
Cell volume: 4788
Cell parameters: 28.6941; 17.8984; 9.3498; 90; 94.361; 90;  

COD ID: 1576488
CIF file Formula: - C44 H52 Si2 -
Comments: Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model. Chemical science 17(13) (2026) 6653-6661
Space group: P 1 21/n 1
Cell volume: 3682.3
Cell parameters: 6.957; 34.975; 15.1996; 90; 95.349; 90;  

COD ID: 1576489
CIF file Formula: - C14 H10 N4 Zn -
Comments: Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9. Chemical science 17(14) (2026) 7185-7193
Space group: P -1
Cell volume: 2039.5
Cell parameters: 11.564; 14.4027; 14.293; 109.799; 109.889; 96.067;  

COD ID: 1576490
CIF file Formula: - C14 H10 Co N4 -
Comments: Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9. Chemical science 17(14) (2026) 7185-7193
Space group: P -1
Cell volume: 1997.7
Cell parameters: 11.3961; 14.3123; 14.2295; 109.831; 109.636; 95.513;  

COD ID: 1576491
CIF file Formula: - C42 H30 Co3 N12 -
Comments: Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9. Chemical science 17(14) (2026) 7185-7193
Space group: P -1
Cell volume: 2106.7
Cell parameters: 11.34; 14.68; 14.61; 111.07; 108.14; 94.47;  

COD ID: 1576492
CIF file Formula: - C42 H30 N12 Zn3 -
Comments: Koutsianos, Athanasios; Svensson Grape, Erik; Pallach, Roman; Keupp, Julian; Schmid, Rochus; Inge, A. Ken; Henke, Sebastian Deciphering the guest-free crystal structures and thermal breathing of the flexible metal-organic frameworks ZIF-7 and ZIF-9. Chemical science 17(14) (2026) 7185-7193
Space group: P -1
Cell volume: 2237.2
Cell parameters: 11.71; 14.85; 14.93; 111.08; 108.69; 94.67;  

COD ID: 1576493
CIF file Formula: - C54 H58 F6 O6 S2 Si2 -
Comments: Chen, Zhe; Zhang, Junjie; Wang, Chuan Reductive desymmetric silylation of biaryl bis(triflates) enabled by a chiral nickel/picolinamide complex. Chemical science 17(13) (2026) 6710-6716
Space group: P 1 21 1
Cell volume: 1329.1
Cell parameters: 9.7587; 14.161; 9.8462; 90; 102.373; 90;  

COD ID: 1576494
CIF file Formula: - C29 H29 Cl2 N5 Ni O2 -
Comments: Chen, Zhe; Zhang, Junjie; Wang, Chuan Reductive desymmetric silylation of biaryl bis(triflates) enabled by a chiral nickel/picolinamide complex. Chemical science 17(13) (2026) 6710-6716
Space group: P 21 21 21
Cell volume: 3007.46
Cell parameters: 9.0699; 17.0862; 19.4067; 90; 90; 90;  

COD ID: 1576495
CIF file Formula: - C19 H20 O S -
Comments: Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation. Chemical science 17(6) (2026) 3171-3177
Space group: P 1 21 1
Cell volume: 796.04
Cell parameters: 9.1143; 7.2877; 12.1106; 90; 98.273; 90;  

COD ID: 1576496
CIF file Formula: - C19 H25 F O3 S -
Comments: Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation. Chemical science 17(6) (2026) 3171-3177
Space group: P 21 21 21
Cell volume: 1830.95
Cell parameters: 10.1006; 10.2657; 17.658; 90; 90; 90;  

COD ID: 1576497
CIF file Formula: - C19 H25 F O3 S -
Comments: Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation. Chemical science 17(6) (2026) 3171-3177
Space group: P 21 21 21
Cell volume: 1782.92
Cell parameters: 6.9914; 8.3848; 30.4141; 90; 90; 90;  

COD ID: 1576498
CIF file Formula: - C36 H40 O4 S2 -
Comments: Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation. Chemical science 17(6) (2026) 3171-3177
Space group: P 1 21 1
Cell volume: 793.04
Cell parameters: 5.918; 8.0256; 16.8884; 90; 98.632; 90;  

COD ID: 1576499
CIF file Formula: - C22 H26 O S -
Comments: Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation. Chemical science 17(6) (2026) 3171-3177
Space group: P 65
Cell volume: 3191.37
Cell parameters: 17.922; 17.922; 11.4729; 90; 90; 120;  

COD ID: 1576500
CIF file Formula: - C42 H26 B N3 -
Comments: Qi, Hengxuan; Liu, Hao; Li, Deli; Wu, Lin; Zhang, Jiasen; Li, Huaxin; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Zhao, Zujin; Li, Wei; Ge, Ziyi Single-B/N MR-TADF emitters enhancing electroluminescence efficiency <i>via</i> a "terminal engineering" strategy. Chemical science 17(14) (2026) 6972-6982
Space group: P -1
Cell volume: 1418.27
Cell parameters: 9.6464; 13.1116; 13.2323; 60.773; 76.19; 83.758;  

COD ID: 1576501
CIF file Formula: - C54 H48 B N3 -
Comments: Qi, Hengxuan; Liu, Hao; Li, Deli; Wu, Lin; Zhang, Jiasen; Li, Huaxin; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Zhao, Zujin; Li, Wei; Ge, Ziyi Single-B/N MR-TADF emitters enhancing electroluminescence efficiency <i>via</i> a "terminal engineering" strategy. Chemical science 17(14) (2026) 6972-6982
Space group: P 1 21/c 1
Cell volume: 3949.5
Cell parameters: 5.741; 20.0142; 34.391; 90; 91.849; 90;  

COD ID: 1576502
CIF file Formula: - C42 H24 B N3 -
Comments: Qi, Hengxuan; Liu, Hao; Li, Deli; Wu, Lin; Zhang, Jiasen; Li, Huaxin; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Zhao, Zujin; Li, Wei; Ge, Ziyi Single-B/N MR-TADF emitters enhancing electroluminescence efficiency <i>via</i> a "terminal engineering" strategy. Chemical science 17(14) (2026) 6972-6982
Space group: P 1 2/c 1
Cell volume: 5479.2
Cell parameters: 35.034; 5.355; 33.077; 90; 117.999; 90;  

COD ID: 1576504
CIF file Formula: - C72 H54 Cl4 N2 O2 -
Comments: Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs. Chemical science 17(13) (2026) 6677-6687
Space group: C 1 2/c 1
Cell volume: 12418.2
Cell parameters: 68.988; 16.9569; 10.6338; 90; 93.366; 90;  

COD ID: 1576505
CIF file Formula: - C132 H47 N O2 -
Comments: Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs. Chemical science 17(13) (2026) 6677-6687
Space group: P 1 21/n 1
Cell volume: 11043.4
Cell parameters: 33.9339; 9.7569; 34.8054; 90; 106.6; 90;  

COD ID: 1576506
CIF file Formula: - C72 H47 N O2 -
Comments: Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs. Chemical science 17(13) (2026) 6677-6687
Space group: P 1 c 1
Cell volume: 6812.7
Cell parameters: 10.3442; 17.7628; 37.0847; 90; 91.107; 90;  

COD ID: 1576507
CIF file Formula: - C105 H105 -
Comments: Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs. Chemical science 17(13) (2026) 6677-6687
Space group: P 1 21/c 1
Cell volume: 8597.2
Cell parameters: 18.8736; 31.9978; 14.3224; 90; 96.305; 90;  

COD ID: 1576508
CIF file Formula: - C27 H26 N2 O2 S -
Comments: Xiao, Teng-Fei; Jian, Ke-Rui; Gu, Yu-Cheng; Xu, Guo-Qiang; Xu, Peng-Fei Asymmetric vicinal C(sp<sup>3</sup>)-H difunctionalization of saturated cyclic amines <i>via</i> synergistic photoredox, copper and chiral phosphoric acid catalysis. Chemical science 17(6) (2026) 3240-3247
Space group: P 21 21 21
Cell volume: 2327.56
Cell parameters: 10.2979; 11.7884; 19.1733; 90; 90; 90;  

COD ID: 1576509
CIF file Formula: - C20 H15 N3 O2 -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 21/c 1
Cell volume: 1520.93
Cell parameters: 9.5986; 5.3235; 29.7891; 90; 92.314; 90;  

COD ID: 1576510
CIF file Formula: - C24 H16 N4 O2 -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 21/c 1
Cell volume: 1860.3
Cell parameters: 6.0168; 18.9903; 16.5285; 90; 99.923; 90;  

COD ID: 1576511
CIF file Formula: - C13 H16 N4 O S -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 21/c 1
Cell volume: 1338.93
Cell parameters: 11.948; 8.2148; 14.0992; 90; 104.638; 90;  

COD ID: 1576512
CIF file Formula: - C26 H19 Cl4 N3 O2 Zn -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P -1
Cell volume: 1268.5
Cell parameters: 11.6154; 11.9297; 11.8935; 118.435; 91.579; 114.295;  

COD ID: 1576513
CIF file Formula: - C19 H14 N4 O2 -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 n 1
Cell volume: 1490.4
Cell parameters: 5.586; 9.8008; 27.2637; 90; 93.122; 90;  

COD ID: 1576514
CIF file Formula: - C21 H16 N2 O2 -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 21/c 1
Cell volume: 1545.7
Cell parameters: 14.6062; 5.3852; 19.6687; 90; 92.433; 90;  

COD ID: 1576515
CIF file Formula: - C19 H14 N2 O2 S -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 21/c 1
Cell volume: 1582.73
Cell parameters: 10.6903; 18.2865; 8.5178; 90; 108.1; 90;  

COD ID: 1576516
CIF file Formula: - C25 H17 N3 O2 -
Comments: Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R. Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking. Chemical science 17(13) (2026) 6546-6563
Space group: P 1 21/c 1
Cell volume: 1850.17
Cell parameters: 4.4595; 24.1919; 17.1497; 90; 90.031; 90;  

COD ID: 1576517
CIF file Formula: - C98 H90 Br2 Cu2 N2 P4 -
Comments: Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin Suppressing nonradiative decay <i>via</i> molecular configuration control in Cu(i)-halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs. Chemical science 17(13) (2026) 6477-6487
Space group: P -1
Cell volume: 2086.8
Cell parameters: 11.0201; 13.1886; 15.303; 100.628; 90.218; 106.976;  

COD ID: 1576518
CIF file Formula: - C90 H70 Br2 Cu2 N2 P4 -
Comments: Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin Suppressing nonradiative decay <i>via</i> molecular configuration control in Cu(i)-halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs. Chemical science 17(13) (2026) 6477-6487
Space group: P -1
Cell volume: 4090
Cell parameters: 14.69; 15.389; 18.808; 89.86; 80.343; 77.503;  

COD ID: 1576519
CIF file Formula: - C39 H44 N2 Zn -
Comments: Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa Zincafluorene complex with an empty C-Zn π orbital that captures visible light. Chemical science 17(6) (2026) 3023-3030
Space group: P -1
Cell volume: 3227.2
Cell parameters: 12.5737; 15.727; 16.9192; 82.334; 83.447; 77.717;  

COD ID: 1576520
CIF file Formula: - C49 H59 N Zn -
Comments: Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa Zincafluorene complex with an empty C-Zn π orbital that captures visible light. Chemical science 17(6) (2026) 3023-3030
Space group: P b c a
Cell volume: 8018.5
Cell parameters: 16.0503; 18.7163; 26.6927; 90; 90; 90;  

COD ID: 1576521
CIF file Formula: - C37 H48 N O Zn -
Comments: Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa Zincafluorene complex with an empty C-Zn π orbital that captures visible light. Chemical science 17(6) (2026) 3023-3030
Space group: P 1 21/n 1
Cell volume: 3226.48
Cell parameters: 13.8577; 16.6434; 14.0019; 90; 92.432; 90;  

COD ID: 1576522
CIF file Formula: - C39 H46 N2 Zn -
Comments: Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa Zincafluorene complex with an empty C-Zn π orbital that captures visible light. Chemical science 17(6) (2026) 3023-3030
Space group: P -1
Cell volume: 3333.24
Cell parameters: 12.6466; 15.9905; 17.0143; 83.503; 84.141; 78.022;  

COD ID: 1576523
CIF file Formula: - C75 H69 Ag3 N14 O12 S3 -
Comments: Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control. Chemical science 17(10) (2026) 4948-4954
Space group: R -3 :H
Cell volume: 12630.2
Cell parameters: 17.7824; 17.7824; 46.121; 90; 90; 120;  

COD ID: 1576524
CIF file Formula: - C63 H72 Ag3 F3 N14 O9 S3 -
Comments: Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control. Chemical science 17(10) (2026) 4948-4954
Space group: P -1
Cell volume: 3793.1
Cell parameters: 13.5048; 15.8262; 20.59; 104.418; 97.72; 112.87;  

COD ID: 1576525
CIF file Formula: - C252 H264 Ag12 F36 N56 O36 S12 -
Comments: Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control. Chemical science 17(10) (2026) 4948-4954
Space group: P 43 21 2
Cell volume: 63016.7
Cell parameters: 35.0187; 35.0187; 51.3873; 90; 90; 90;  

COD ID: 1576526
CIF file Formula: - C252 H264 Ag12 F36 N56 O36 S12 -
Comments: Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control. Chemical science 17(10) (2026) 4948-4954
Space group: P 41 21 2
Cell volume: 64448
Cell parameters: 35.2602; 35.2602; 51.837; 90; 90; 90;  

COD ID: 1576527
CIF file Formula: - C75 H54 Ag3 F9 N14 O9 S3 -
Comments: Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control. Chemical science 17(10) (2026) 4948-4954
Space group: P 43 3 2
Cell volume: 20094.4
Cell parameters: 27.1868; 27.1868; 27.1868; 90; 90; 90;  

COD ID: 1576528
CIF file Formula: - C20 H25 N3 O4 -
Comments: Hughes, Owen R.; Tufail, Afzaal; Hutton, Esme; Nabarro, Joe; Howarth, Rachel; Yates, Nicholas D.; Whitwood, Adrian C.; Robson, Craig N.; Signoret, Nathalie; Fascione, Martin A.; Spicer, Christopher D.; Unsworth, William P. N-terminal protein-macrocycles enabled by conjugate addition/ring expansion cascade reactions. Chemical science 17(6) (2026) 3320-3328
Space group: P 21 21 21
Cell volume: 1951.63
Cell parameters: 9.14295; 10.25505; 20.8149; 90; 90; 90;  

COD ID: 1576531
CIF file Formula: - C92 H188 Dy Mo12 O56 P5 -
Comments: Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability. Chemical science 17(6) (2026) 3248-3258
Space group: C 1 c 1
Cell volume: 12774.2
Cell parameters: 24.6687; 19.2311; 29.3029; 90; 113.233; 90;  

COD ID: 1576532
CIF file Formula: - C72 H142 Dy Mo12 O49 P5 -
Comments: Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability. Chemical science 17(6) (2026) 3248-3258
Space group: C 1 c 1
Cell volume: 12832.1
Cell parameters: 24.5974; 19.2115; 29.5224; 90; 113.102; 90;  

COD ID: 1576566
CIF file Formula: - C12.5 H13 Cl0.5 Co0.5 N2 O3.5 -
Comments: Itagaki, Ren; Nakada, Akinobu; Suzuki, Hajime; Tomita, Osamu; Abe, Ryu Active control of forward/backward charge transfer in Z-scheme water splitting: manipulating electrostatic affinity/repulsion between photocatalyst surface and electron mediator. Chemical science 17(13) (2026) 6379-6389
Space group: C 1 2/c 1
Cell volume: 2743.7
Cell parameters: 17.2915; 13.2926; 14.2063; 90; 122.833; 90;  

COD ID: 1576567
CIF file Formula: - C47 H24 B2 F24 O -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: P b c a
Cell volume: 10601
Cell parameters: 24.611; 15.358; 28.047; 90; 90; 90;  

COD ID: 1576568
CIF file Formula: - C120 H105 B4 F50 N2 -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: P 1 21/c 1
Cell volume: 11879.3
Cell parameters: 38.975; 12.6529; 25.2038; 90; 107.106; 90;  

COD ID: 1576569
CIF file Formula: - C20 H9 B3 F12 -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: C 1 2/c 1
Cell volume: 4134.7
Cell parameters: 23.3734; 11.8595; 15.6482; 90; 107.595; 90;  

COD ID: 1576570
CIF file Formula: - C60 H54 B2 Cl F24 N -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: P -1
Cell volume: 3308.69
Cell parameters: 13.8297; 15.9645; 18.5999; 114.005; 91.968; 114.544;  

COD ID: 1576571
CIF file Formula: - C63 H60 B2 F24 I N O -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: P -1
Cell volume: 3296.8
Cell parameters: 13.8828; 13.9447; 17.7055; 93.328; 96.164; 103.812;  

COD ID: 1576572
CIF file Formula: - C60 H54 B2 Br F24 N -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: P -1
Cell volume: 3323.1
Cell parameters: 13.919; 16.0936; 18.4939; 113.668; 91.672; 115.439;  

COD ID: 1576573
CIF file Formula: - C60 H54 B2 F24 I N -
Comments: Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie Modulating halide leaving-group trends through recognition by bisboranes. Chemical science 17(14) (2026) 6949-6955
Space group: P -1
Cell volume: 3379.3
Cell parameters: 14.0685; 16.0771; 18.5596; 64.999; 89.144; 65.012;  

COD ID: 1576574
CIF file Formula: - C15 H22 Cl5 In N4 -
Comments: Guo, Xin-Ping; Lin, Hao-Wei; Ablez, Abdusalam; Zhang, Sheng-Mao; Ren, Yu-Wei; Chen, Guo-Yang; Zhang, Wei-Yu; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying Achieving switchable UV/Vis circularly polarized luminescence by varying excitation wavelength in chiral indium halides. Chemical science 17(15) (2026) 7636-7642
Space group: P 1
Cell volume: 1038.52
Cell parameters: 6.8371; 11.9389; 12.7775; 94.192; 90.966; 93.033;  

COD ID: 1576575
CIF file Formula: - C15 H22 Cl5 In N4 -
Comments: Guo, Xin-Ping; Lin, Hao-Wei; Ablez, Abdusalam; Zhang, Sheng-Mao; Ren, Yu-Wei; Chen, Guo-Yang; Zhang, Wei-Yu; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying Achieving switchable UV/Vis circularly polarized luminescence by varying excitation wavelength in chiral indium halides. Chemical science 17(15) (2026) 7636-7642
Space group: P 1
Cell volume: 1040.25
Cell parameters: 6.8432; 11.9451; 12.7802; 94.182; 90.902; 93.03;  

COD ID: 1576579
CIF file Formula: - C23 H26 N4 O4 -
Comments: Chattopadhayay, Sandip; Ganguly, Debraj; Sodnawar, Triveni; Talukdar, Pinaki Glutathione-activatable synthetic channel for hopping-mediated anion transport. Chemical science 17(14) (2026) 6995-7001
Space group: P 1 21/c 1
Cell volume: 2123.5
Cell parameters: 12.2023; 10.9757; 16.4527; 90; 105.485; 90;  

COD ID: 1576580
CIF file Formula: - C73 H92 Fe2 N6 O2.5 P -
Comments: Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C. Direct metathesis of carbon-carbon <i>σ</i>-bonds at a versatile macrocycle-supported diiron platform. Chemical science 17(14) (2026) 7203-7210
Space group: P 1 21/n 1
Cell volume: 6583.2
Cell parameters: 10.3808; 21.0758; 30.3435; 90; 97.414; 90;  

COD ID: 1576581
CIF file Formula: - C114 H108 B F24 Fe2 N6 O1.5 P2 -
Comments: Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C. Direct metathesis of carbon-carbon <i>σ</i>-bonds at a versatile macrocycle-supported diiron platform. Chemical science 17(14) (2026) 7203-7210
Space group: P -1
Cell volume: 5308.95
Cell parameters: 14.0957; 20.1889; 21.1235; 66.976; 76.184; 76.686;  

COD ID: 1576582
CIF file Formula: - C73 H78.5 F13.5 Fe2 N6 P3 -
Comments: Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C. Direct metathesis of carbon-carbon <i>σ</i>-bonds at a versatile macrocycle-supported diiron platform. Chemical science 17(14) (2026) 7203-7210
Space group: P 1 21/n 1
Cell volume: 7259.1
Cell parameters: 24.4482; 11.945; 26.3761; 90; 109.54; 90;  

COD ID: 1576584
CIF file Formula: - C44 H58 B30 Cl2 -
Comments: Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal. Chemical science 17(7) (2026) 3691-3699
Space group: C 1 2/c 1
Cell volume: 5392.2
Cell parameters: 7.245; 31.353; 23.751; 90; 91.88; 90;  

COD ID: 1576585
CIF file Formula: - C44 H58 B30 Br2 -
Comments: Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal. Chemical science 17(7) (2026) 3691-3699
Space group: C 1 2/c 1
Cell volume: 5406
Cell parameters: 7.2884; 31.271; 23.733; 90; 92.054; 90;  

COD ID: 1576586
CIF file Formula: - C86 H102 Al2 F72 Ga2 O9 P4 -
Comments: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations. Chemical science 17(8) (2026) 4004-4020
Space group: P -1
Cell volume: 5653
Cell parameters: 17.168; 17.984; 22.621; 69.09; 67.933; 63.812;  

COD ID: 1576587
CIF file Formula: - C90 H102 Al2 F72 Ga2 O9 P4 -
Comments: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations. Chemical science 17(8) (2026) 4004-4020
Space group: P 21 21 21
Cell volume: 11592
Cell parameters: 15.677; 23.421; 31.572; 90; 90; 90;  

COD ID: 1576588
CIF file Formula: - C86 H99 Al2 F72 Ga2 N O8 P4 -
Comments: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations. Chemical science 17(8) (2026) 4004-4020
Space group: P 1 21 1
Cell volume: 5692
Cell parameters: 13.55; 27.099; 15.504; 90; 91.2; 90;  

COD ID: 1576589
CIF file Formula: - C90 H103 Al2 F72 Ga2 N O8 P4 -
Comments: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations. Chemical science 17(8) (2026) 4004-4020
Space group: C 1 c 1
Cell volume: 11816
Cell parameters: 18.26; 29.497; 22.081; 90; 96.514; 90;  

COD ID: 1576590
CIF file Formula: - C96 H107 Al2 F72 Ga2 N O8 P4 -
Comments: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations. Chemical science 17(8) (2026) 4004-4020
Space group: P -1
Cell volume: 5991
Cell parameters: 15.468; 18.034; 22.835; 81.311; 72.12; 86.298;  

COD ID: 1576591
CIF file Formula: - C278 H297 Al7 F244 Ga6 O26 P12 -
Comments: Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations. Chemical science 17(8) (2026) 4004-4020
Space group: P -1
Cell volume: 18406
Cell parameters: 18.462; 27.562; 37.435; 86.961; 88.862; 75.387;  

COD ID: 1576597
CIF file Formula: - C19 H18 N2 O3 -
Comments: Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes. Chemical science 17(7) (2026) 3587-3592
Space group: P -1
Cell volume: 1633
Cell parameters: 9.5496; 10.108; 17.362; 90.483; 97.956; 100.119;  

COD ID: 1576598
CIF file Formula: - C23 H21 N O2 -
Comments: Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes. Chemical science 17(7) (2026) 3587-3592
Space group: P -1
Cell volume: 931.91
Cell parameters: 8.505; 9.0705; 13.1678; 84.919; 71.48; 75.36;  

COD ID: 1576599
CIF file Formula: - C10.01 H12.01 F2 Li N5 O4 S2 -
Comments: Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles. Chemical science 17(7) (2026) 3669-3674
Space group: P 21 21 2
Cell volume: 867.58
Cell parameters: 12.8522; 12.8465; 5.2547; 90; 90; 90;  

COD ID: 1576600
CIF file Formula: - C26 H24 F6 Li N5 O4 S2 -
Comments: Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles. Chemical science 17(7) (2026) 3669-3674
Space group: P -4
Cell volume: 2927.58
Cell parameters: 21.3025; 21.3025; 6.4513; 90; 90; 90;  

COD ID: 1576601
CIF file Formula: - C9 H10 F2 Li N5 O4 S2 -
Comments: Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles. Chemical science 17(7) (2026) 3669-3674
Space group: P b c m
Cell volume: 1589.4
Cell parameters: 5.1756; 15.2002; 20.2029; 90; 90; 90;  

COD ID: 1576602
CIF file Formula: - C17 H12 N2 O S -
Comments: Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery. Chemical science 17(7) (2026) 3658-3668
Space group: C 1 2/c 1
Cell volume: 2703.49
Cell parameters: 13.6403; 7.84; 25.3454; 90; 94.102; 90;  

COD ID: 1576603
CIF file Formula: - C15 H9 N3 O S -
Comments: Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery. Chemical science 17(7) (2026) 3658-3668
Space group: I 1 2/a 1
Cell volume: 2477.49
Cell parameters: 19.736; 4.8714; 26.2576; 90; 101.07; 90;  

COD ID: 1576604
CIF file Formula: - C16 H11 N3 O S -
Comments: Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery. Chemical science 17(7) (2026) 3658-3668
Space group: P -1
Cell volume: 1308.64
Cell parameters: 7.6266; 7.9225; 24.4377; 81.144; 82.116; 64.126;  

COD ID: 1576608
CIF file Formula: - C44 H68 Mo2 O S8 U Zr -
Comments: Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M. Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand. Chemical science 17(15) (2026) 7496-7508
Space group: P 1 21 1
Cell volume: 2430.81
Cell parameters: 12.7715; 11.7087; 16.4965; 90; 99.806; 90;  

COD ID: 1576609
CIF file Formula: - C20 H30 Mo2 S4 -
Comments: Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M. Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand. Chemical science 17(15) (2026) 7496-7508
Space group: P -4 21 c
Cell volume: 4552.78
Cell parameters: 23.5596; 23.5596; 8.2024; 90; 90; 90;  

COD ID: 1576610
CIF file Formula: - C66 H90 D6 K2 Mo4 S8 Zr2 -
Comments: Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M. Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand. Chemical science 17(15) (2026) 7496-7508
Space group: P -1
Cell volume: 1822.32
Cell parameters: 10.9927; 11.2521; 16.3898; 89.584; 79.031; 66.672;  

COD ID: 1576611
CIF file Formula: - C47 H68 Cl1.406 I0.594 Mo2 S4 U Zr -
Comments: Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M. Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand. Chemical science 17(15) (2026) 7496-7508
Space group: P -1
Cell volume: 2488.73
Cell parameters: 11.6219; 13.1502; 17.5967; 72.903; 81.016; 76.543;  

COD ID: 1576612
CIF file Formula: - C62.5 H82 Mo2 N2 S4 U Zr -
Comments: Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M. Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand. Chemical science 17(15) (2026) 7496-7508
Space group: P -1
Cell volume: 2977.54
Cell parameters: 11.1822; 13.5657; 22.4202; 72.476; 88.3; 67.304;  

COD ID: 1576613
CIF file Formula: - C45 H60 I2 Mo2 S4 U -
Comments: Valerio, Leyla R.; Dopp, Claire M.; Brennessel, William W.; Matson, Ellen M. Tuning reactivity at uranium through heterometal substitution in a redox-active thiomolybdate metalloligand. Chemical science 17(15) (2026) 7496-7508
Space group: P -1
Cell volume: 4916.92
Cell parameters: 14.2943; 18.0623; 21.4605; 67.289; 88.209; 74.791;  

COD ID: 1576615
CIF file Formula: - C8 H20 Br3 N Sn -
Comments: Kang, Yuwei; Yang, Can; Wang, Yunjie; Wu, Qi Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials. Chemical science 17(16) (2026) 8084-8089
Space group: C m c 21
Cell volume: 1497.36
Cell parameters: 10.0466; 17.0996; 8.7161; 90; 90; 90;  

COD ID: 1576616
CIF file Formula: - C8 H20 Br3 N Sn -
Comments: Kang, Yuwei; Yang, Can; Wang, Yunjie; Wu, Qi Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials. Chemical science 17(16) (2026) 8084-8089
Space group: C 1 c 1
Cell volume: 5968.7
Cell parameters: 17.1273; 33.122; 13.2631; 90; 127.506; 90;  

COD ID: 1576617
CIF file Formula: - C44 H40 N O4 P -
Comments: Chen, Xiao-Bing; Padín, Damián; Feringa, Ben L. Stereoselective additions to alkenylphosphonium salts for the synthesis of P-stereogenic compounds. Chemical science 17(15) (2026) 7575-7581
Space group: P 43
Cell volume: 4225.7
Cell parameters: 12.7645; 12.7645; 25.9354; 90; 90; 90;  

COD ID: 1576637
CIF file Formula: - C25 H51 Al N2 O Si2 -
Comments: Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian Al(ii) transfer harnessing a well-defined cadmium precursor. Chemical science 17(16) (2026) 7997-8006
Space group: P -1
Cell volume: 1418.4
Cell parameters: 8.7124; 9.3436; 19.0266; 77.047; 89.104; 70.336;  

COD ID: 1576638
CIF file Formula: - C22 H46 Al N3 O2 Si2 -
Comments: Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian Al(ii) transfer harnessing a well-defined cadmium precursor. Chemical science 17(16) (2026) 7997-8006
Space group: C 1 2 1
Cell volume: 2697.76
Cell parameters: 19.8826; 10.2863; 16.5219; 90; 127.024; 90;  

COD ID: 1576639
CIF file Formula: - C22 H38 Al N S Si2 -
Comments: Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian Al(ii) transfer harnessing a well-defined cadmium precursor. Chemical science 17(16) (2026) 7997-8006
Space group: P 1 21/n 1
Cell volume: 2511.4
Cell parameters: 9.7451; 16.1889; 16.4705; 90; 104.874; 90;  

COD ID: 1576640
CIF file Formula: - C22 H38 Al N Se Si2 -
Comments: Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian Al(ii) transfer harnessing a well-defined cadmium precursor. Chemical science 17(16) (2026) 7997-8006
Space group: P -1
Cell volume: 2529.6
Cell parameters: 9.5257; 16.5954; 16.708; 97.633; 101.799; 97.348;  

COD ID: 1576641
CIF file Formula: - C26 H53 Al N2 O2 Si2 -
Comments: Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian Al(ii) transfer harnessing a well-defined cadmium precursor. Chemical science 17(16) (2026) 7997-8006
Space group: P 1 21/c 1
Cell volume: 6085.7
Cell parameters: 15.539; 10.1981; 39.1578; 90; 101.267; 90;  

COD ID: 1576642
CIF file Formula: - C22 H38 Al N Si2 Te -
Comments: Herle, Dominic; Wurm, Frerik; Lichtenberg, Crispin; Dankert, Fabian Al(ii) transfer harnessing a well-defined cadmium precursor. Chemical science 17(16) (2026) 7997-8006
Space group: P -1
Cell volume: 1272.9
Cell parameters: 9.1152; 11.564; 12.5993; 74.993; 82.902; 87.557;  

COD ID: 1576654
CIF file Formula: - C17 H18 Au Cl N2 O3 S -
Comments: Ochs, Jasmine; Metzler-Nolte, Nils Identification of Au-hydrides as key intermediates in the reduction of Au(iii) prodrugs to active Au(i) species under protic conditions. Chemical science 17(8) (2026) 4183-4190
Space group: P 21 21 21
Cell volume: 1775.33
Cell parameters: 4.8602; 14.2036; 25.7174; 90; 90; 90;  

COD ID: 1576655
CIF file Formula: - C32 H42 Au2 Cl4 N4 O6 S2 -
Comments: Ochs, Jasmine; Metzler-Nolte, Nils Identification of Au-hydrides as key intermediates in the reduction of Au(iii) prodrugs to active Au(i) species under protic conditions. Chemical science 17(8) (2026) 4183-4190
Space group: P 1 21 1
Cell volume: 1993.71
Cell parameters: 17.2761; 6.7454; 18.9344; 90; 115.37; 90;  

COD ID: 1576656
CIF file Formula: - C52 H44 Eu2 N14 O18 -
Comments: Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes. Chemical science 17(8) (2026) 4157-4167
Space group: P 1
Cell volume: 1369.73
Cell parameters: 9.5245; 12.652; 12.721; 75.746; 68.755; 77.174;  

COD ID: 1576657
CIF file Formula: - C52 H44 Eu2 N14 O18 -
Comments: Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes. Chemical science 17(8) (2026) 4157-4167
Space group: P 1
Cell volume: 1369.8
Cell parameters: 9.5275; 12.6485; 12.7241; 75.718; 68.74; 77.16;  

COD ID: 1576658
CIF file Formula: - C35 H43 Mn N6 O5 -
Comments: De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex. Chemical science 17(8) (2026) 4042-4049
Space group: P b a n :2
Cell volume: 14024.7
Cell parameters: 27.554; 28.71; 17.7286; 90; 90; 90;  

COD ID: 1576659
CIF file Formula: - C3.55 H5.2 Cl0.08 Mn0.08 N0.58 O0.33 -
Comments: De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex. Chemical science 17(8) (2026) 4042-4049
Space group: P b c a
Cell volume: 8688.77
Cell parameters: 13.9931; 16.3697; 37.9318; 90; 90; 90;  

COD ID: 1576660
CIF file Formula: - C34 H30 -
Comments: Shi, Xiaomei; Chen, Xinyu; Huang, Yu; Liu, Zuyuan; Zhao, Bo; Yan, Lingpeng; Zhang, Teng-Shuo; Fu, Hongbing; Wang, Long Efficient singlet fission in rubicene null aggregates. Chemical science 17(8) (2026) 4168-4173
Space group: P 1 21/c 1
Cell volume: 1226.6
Cell parameters: 16.485; 6.2347; 12.105; 90; 99.627; 90;  

COD ID: 1576661
CIF file Formula: - C26 H23 N3 O2 -
Comments: Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro <i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons. Chemical science 17(8) (2026) 3998-4003
Space group: P b c a
Cell volume: 4172
Cell parameters: 15.0386; 14.8556; 18.6742; 90; 90; 90;  

COD ID: 1576662
CIF file Formula: - C25 H21 N3 O2 -
Comments: Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro <i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons. Chemical science 17(8) (2026) 3998-4003
Space group: P 1 21/c 1
Cell volume: 1975.9
Cell parameters: 14.901; 10.1314; 13.5202; 90; 104.524; 90;  

COD ID: 1576663
CIF file Formula: - C25.04 H20.04 I N3 O2 -
Comments: Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro <i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons. Chemical science 17(8) (2026) 3998-4003
Space group: P 1 21/c 1
Cell volume: 2148.3
Cell parameters: 15.3604; 9.5211; 15.3873; 90; 107.325; 90;  

COD ID: 1576664
CIF file Formula: - C17 H10 -
Comments: Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro <i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons. Chemical science 17(8) (2026) 3998-4003
Space group: C 1 2/c 1
Cell volume: 1992.2
Cell parameters: 26.78; 3.886; 19.6341; 90; 102.831; 90;  

COD ID: 1576665
CIF file Formula: - C50 H42 O10 -
Comments: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation. Chemical science 17(8) (2026) 4256-4267
Space group: P b c a
Cell volume: 4972.8
Cell parameters: 13.5872; 14.1035; 25.9503; 90; 90; 90;  

COD ID: 1576666
CIF file Formula: - C60 H58 O8 -
Comments: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation. Chemical science 17(8) (2026) 4256-4267
Space group: P b c a
Cell volume: 5338.4
Cell parameters: 14.9347; 14.1589; 25.2455; 90; 90; 90;  

COD ID: 1576667
CIF file Formula: - C98 H74 O16 -
Comments: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation. Chemical science 17(8) (2026) 4256-4267
Space group: P b c a
Cell volume: 4916.8
Cell parameters: 13.444; 14.142; 25.861; 90; 90; 90;  

COD ID: 1576668
CIF file Formula: - C52 H46 O8 -
Comments: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation. Chemical science 17(8) (2026) 4256-4267
Space group: P b c a
Cell volume: 4897.5
Cell parameters: 13.4088; 14.1154; 25.8758; 90; 90; 90;  

COD ID: 1576669
CIF file Formula: - C50 H34 O8 -
Comments: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation. Chemical science 17(8) (2026) 4256-4267
Space group: P b c a
Cell volume: 4925.7
Cell parameters: 13.4893; 14.0799; 25.9348; 90; 90; 90;  

COD ID: 1576670
CIF file Formula: - C51 H34 O8 -
Comments: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation. Chemical science 17(8) (2026) 4256-4267
Space group: P b c a
Cell volume: 4901
Cell parameters: 13.4346; 14.1142; 25.8466; 90; 90; 90;  

COD ID: 1576671
CIF file Formula: - C98 H88 Cl I2 N52 O24 S2 -
Comments: Nie, Haigen; Tan, Jiao; Luo, Yi; Ni, Xin-Long A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</sup> generation. Chemical science 17(8) (2026) 4137-4144
Space group: P 1 21/n 1
Cell volume: 16941.7
Cell parameters: 18.355; 27.2455; 34.3754; 90; 99.767; 90;  

COD ID: 1576672
CIF file Formula: - C100 H92 Cl I2 N52 O26 S2 -
Comments: Nie, Haigen; Tan, Jiao; Luo, Yi; Ni, Xin-Long A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</sup> generation. Chemical science 17(8) (2026) 4137-4144
Space group: P 1 21/n 1
Cell volume: 17008.7
Cell parameters: 18.2818; 27.2752; 34.8195; 90; 101.584; 90;  

COD ID: 1576673
CIF file Formula: - C90 H115 Li O -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P 1 21/n 1
Cell volume: 7551.84
Cell parameters: 12.50871; 29.33042; 20.62954; 90; 93.8228; 90;  

COD ID: 1576674
CIF file Formula: - C80 H109 I O2 P2 -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P -4 21 m
Cell volume: 3581.86
Cell parameters: 17.634; 17.634; 11.5188; 90; 90; 90;  

COD ID: 1576675
CIF file Formula: - C73 H89 Ag Cl F3 O3 P2 S -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P 1 21/n 1
Cell volume: 7662.74
Cell parameters: 15.8885; 27.6598; 18.0802; 90; 105.338; 90;  

COD ID: 1576676
CIF file Formula: - C80 H110 Cl2 O2 P2 -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P -4 21 m
Cell volume: 3591.5
Cell parameters: 17.68289; 17.68289; 11.48603; 90; 90; 90;  

COD ID: 1576677
CIF file Formula: - C80 H109 Br O2 P2 -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P -4 21 m
Cell volume: 3570.61
Cell parameters: 17.6407; 17.6407; 11.4739; 90; 90; 90;  

COD ID: 1576678
CIF file Formula: - C78 H103 Cl2 P -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P 1 21/c 1
Cell volume: 6687.14
Cell parameters: 12.40239; 26.3488; 20.88177; 90; 101.491; 90;  

COD ID: 1576679
CIF file Formula: - C80 H109 Cl O2 P2 -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P -4 21 m
Cell volume: 3564.94
Cell parameters: 17.64558; 17.64558; 11.44934; 90; 90; 90;  

COD ID: 1576680
CIF file Formula: - C89.5 H110 K P -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P b c a
Cell volume: 14842.4
Cell parameters: 22.66718; 25.26153; 25.92072; 90; 90; 90;  

COD ID: 1576681
CIF file Formula: - C83 H119 O2 P Si -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P -4 21 m
Cell volume: 3704.3
Cell parameters: 17.70963; 17.70963; 11.811; 90; 90; 90;  

COD ID: 1576682
CIF file Formula: - C78 H105 P -
Comments: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera Isolation of arylhalodiphosphenes: periodic trends in R-P[double bond, length as m-dash]P-X bonding (X = Cl, Br, I). Chemical science 17(15) (2026) 7475-7485
Space group: P 1 21/c 1
Cell volume: 6639.07
Cell parameters: 12.46887; 26.12266; 20.84307; 90; 102.064; 90;  

COD ID: 1576683
CIF file Formula: - C13 H22 Cl2 N2 Ru -
Comments: Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. Chemical science 17(8) (2026) 4325-4331
Space group: P -1
Cell volume: 753.45
Cell parameters: 8.0151; 10.3158; 10.4456; 69.794; 68.844; 78.767;  

COD ID: 1576684
CIF file Formula: - C12 H17 Cl2 N Ru -
Comments: Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. Chemical science 17(8) (2026) 4325-4331
Space group: P 1 21/c 1
Cell volume: 2717.23
Cell parameters: 19.55034; 11.01135; 12.79041; 90; 99.3053; 90;  

COD ID: 1576685
CIF file Formula: - C17 H26 N2 O3 Ru -
Comments: Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. Chemical science 17(8) (2026) 4325-4331
Space group: P 1 21/c 1
Cell volume: 1736.06
Cell parameters: 8.13073; 11.29004; 19.3239; 90; 101.849; 90;  

COD ID: 1576686
CIF file Formula: - C15 H24 Cl4 N2 Ru -
Comments: Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. Chemical science 17(8) (2026) 4325-4331
Space group: P -1
Cell volume: 983.62
Cell parameters: 8.8497; 10.6779; 11.6417; 69.313; 75.853; 76.141;  

COD ID: 1576687
CIF file Formula: - C16 H26 Cl2 N2 Ru -
Comments: Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. Chemical science 17(8) (2026) 4325-4331
Space group: P b c a
Cell volume: 3441.95
Cell parameters: 11.43884; 15.3631; 19.58592; 90; 90; 90;  

COD ID: 1576688
CIF file Formula: - C20 H35 Cl2 N3 Ru -
Comments: Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis. Chemical science 17(8) (2026) 4325-4331
Space group: P 1 21/n 1
Cell volume: 2189.3
Cell parameters: 10.69797; 9.17128; 22.3384; 90; 92.6898; 90;  

COD ID: 1576689
CIF file Formula: - C37 H48 N P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P b c a
Cell volume: 7040
Cell parameters: 12.14; 15.05; 38.53; 90; 90; 90;  

COD ID: 1576690
CIF file Formula: - C77 H112 N4 Ni2 P2 Si2 Sn2 -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P 1 21/c 1
Cell volume: 8274
Cell parameters: 16.051; 26.835; 19.363; 90; 97.22; 90;  

COD ID: 1576691
CIF file Formula: - C78 H92 F12 N2 Ni P2 Si2 Sn2 -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: R -3 c :H
Cell volume: 42341
Cell parameters: 33.475; 33.475; 43.63; 90; 90; 120;  

COD ID: 1576692
CIF file Formula: - C37 H60 N P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P 1
Cell volume: 1845.3
Cell parameters: 10.302; 11.25; 16.905; 79.85; 80.12; 74.86;  

COD ID: 1576693
CIF file Formula: - C58 H92 N3 Ni P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P 1 21/n 1
Cell volume: 5791
Cell parameters: 12.766; 19.113; 23.772; 90; 93.27; 90;  

COD ID: 1576694
CIF file Formula: - C39 H46 F6 N P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P 1 21/n 1
Cell volume: 3835.6
Cell parameters: 13.802; 15.016; 19.31; 90; 106.58; 90;  

COD ID: 1576695
CIF file Formula: - C80 H112 N3 Ni P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P -1
Cell volume: 3785.2
Cell parameters: 12.84; 13.88; 21.998; 84.37; 81.89; 77.88;  

COD ID: 1576696
CIF file Formula: - C45 H69 N O0.5 P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P 1 21/n 1
Cell volume: 4493.9
Cell parameters: 15.824; 17.408; 17.563; 90; 111.74; 90;  

COD ID: 1576697
CIF file Formula: - C64 H84 N3 Ni P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: C 1 2/c 1
Cell volume: 13145
Cell parameters: 45; 13.69; 21.36; 90; 92.6; 90;  

COD ID: 1576698
CIF file Formula: - C51 H64 N Ni P Si Sn -
Comments: Gilch, Jonas M.; Keil, Philip M.; Iddrisu, Mustapha; Szilvási, Tibor; Hadlington, Terrance J. Cooperative metathesis of H-H/Sn-C<sup>Ar</sup> bonds in stannylene-Ni<sup>0</sup> systems. Chemical science 17(16) (2026) 7938-7946
Space group: P 4/n :2
Cell volume: 9710
Cell parameters: 28.92; 28.92; 11.61; 90; 90; 90;  

COD ID: 1576699
CIF file Formula: - C33 H30 I N5 O8 S -
Comments: Zhong, Yangyang; Zeng, Jie; Li, Mingwei; Liang, Yuli; Guan, Shuman; Zhao, Kehan; Mu, Jiayi; Tang, Pei; Wang, Huijing; Chen, Fener Stereodivergent access to α- and β-azanucleosides <i>via</i> catalyst-free, achiral modulator-controlled iodocyclization: a concise synthesis of forodesine. Chemical science 17(8) (2026) 4126-4136
Space group: P 21 21 21
Cell volume: 6656.9
Cell parameters: 7.346; 26.0025; 34.85; 90; 90; 90;  

COD ID: 1576700
CIF file Formula: - C28 H33 Cl2 N O Ru Se -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P -1
Cell volume: 1340.54
Cell parameters: 9.7647; 10.092; 15.3151; 107.239; 98.9646; 105.768;  

COD ID: 1576701
CIF file Formula: - C22 H21 I2 N3 Pt -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P -1
Cell volume: 1135.01
Cell parameters: 8.3972; 11.7055; 12.11; 93.48; 98.668; 104.169;  

COD ID: 1576702
CIF file Formula: - C9 H10 I2 N2 Pt S -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P 61 2 2
Cell volume: 2147.69
Cell parameters: 9.2044; 9.2044; 29.2718; 90; 90; 120;  

COD ID: 1576703
CIF file Formula: - C9 H9 Au I N O -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P n a 21
Cell volume: 3199.63
Cell parameters: 6.92293; 28.2837; 16.3408; 90; 90; 90;  

COD ID: 1576704
CIF file Formula: - C32 H34 Cl4 N2 Ru -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P 1 21/n 1
Cell volume: 3063.2
Cell parameters: 15.0757; 12.3164; 18.0889; 90; 114.216; 90;  

COD ID: 1576705
CIF file Formula: - C9 H9 Au Br N S -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: C 1 2/c 1
Cell volume: 2135.58
Cell parameters: 16.4314; 9.4384; 13.8055; 90; 94.094; 90;  

COD ID: 1576706
CIF file Formula: - C9 H10 I2 N2 O Pt -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P 1 21/c 1
Cell volume: 2696.3
Cell parameters: 8.8706; 15.328; 19.83; 90; 90.089; 90;  

COD ID: 1576707
CIF file Formula: - C11 H14 Au I N2 -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: C 1 2/c 1
Cell volume: 1273.15
Cell parameters: 10.6281; 16.7383; 7.17; 90; 93.494; 90;  

COD ID: 1576708
CIF file Formula: - C28 H33 Cl2 N O Ru S -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P -1
Cell volume: 1335.9
Cell parameters: 9.75755; 10.13025; 15.2002; 107.338; 98.0674; 106.18;  

COD ID: 1576709
CIF file Formula: - C10 H13 I2 N3 Pt -
Comments: Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J. Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics. Chemical science 17(8) (2026) 4296-4306
Space group: P 65 2 2
Cell volume: 2288.61
Cell parameters: 9.25931; 9.25931; 30.8237; 90; 90; 120;  

COD ID: 1576710
CIF file Formula: - C54 H67 Cl2 N3 Si2 -
Comments: Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold. Chemical science 17(8) (2026) 3991-3997
Space group: P 1 21/n 1
Cell volume: 5085.9
Cell parameters: 10.5011; 36.2781; 13.3571; 90; 91.845; 90;  

COD ID: 1576711
CIF file Formula: - C37 H35 Cl3 N4 O -
Comments: Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold. Chemical science 17(8) (2026) 3991-3997
Space group: P -1
Cell volume: 6722.3
Cell parameters: 12.2842; 16.8227; 34.6745; 77.137; 82.673; 74.771;  

COD ID: 1576714
CIF file Formula: - C2.88 H1.6 N0.32 S0.213 -
Comments: Barman, Debika; Parui, Retwik; Iyer, Parameswar Krishnan Stepwise functionalization-induced molecular tweak unveiling multi-level thermochromic data encryption and fingerprint monitoring system. Chemical science 17(16) (2026) 8218-8228
Space group: P 1 21/n 1
Cell volume: 4593
Cell parameters: 14.7217; 13.5089; 23.0981; 90; 90.911; 90;  

COD ID: 1576715
CIF file Formula: - C27 H15 N3 S2 -
Comments: Barman, Debika; Parui, Retwik; Iyer, Parameswar Krishnan Stepwise functionalization-induced molecular tweak unveiling multi-level thermochromic data encryption and fingerprint monitoring system. Chemical science 17(16) (2026) 8218-8228
Space group: P 1 21/n 1
Cell volume: 2192.2
Cell parameters: 10.8065; 10.2267; 19.839; 90; 90.963; 90;  

COD ID: 1576716
CIF file Formula: - C82 H71 Cu3 P6 -
Comments: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K. Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide. Chemical science 17(1) (2026) 564-578
Space group: P 1 21/n 1
Cell volume: 7540.16
Cell parameters: 13.8301; 23.24282; 23.96377; 90; 101.808; 90;  

COD ID: 1576717
CIF file Formula: - C88 H54 Cu2 F20 O4 P4 Zn2 -
Comments: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K. Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide. Chemical science 17(1) (2026) 564-578
Space group: P -1
Cell volume: 1982.48
Cell parameters: 12.6129; 13.151; 14.4377; 82.473; 66.962; 64.233;  

COD ID: 1576718
CIF file Formula: - C92 H60 Cu2 F20 P4 Zn2 -
Comments: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K. Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide. Chemical science 17(1) (2026) 564-578
Space group: P 1 21/n 1
Cell volume: 4043.24
Cell parameters: 13.9446; 18.9372; 15.5207; 90; 99.426; 90;  

COD ID: 1576719
CIF file Formula: - C86 H54 Cu2 F20 P4 Zn2 -
Comments: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K. Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide. Chemical science 17(1) (2026) 564-578
Space group: I 1 2/a 1
Cell volume: 8164.29
Cell parameters: 16.7872; 15.1283; 32.1498; 90; 90.653; 90;  

COD ID: 1576720
CIF file Formula: - C83 H74 Cu3 O4 P6 -
Comments: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K. Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide. Chemical science 17(1) (2026) 564-578
Space group: P 1 21/c 1
Cell volume: 8023.4
Cell parameters: 10.8464; 41.8005; 17.7632; 90; 94.963; 90;  

COD ID: 1576721
CIF file Formula: - C118 H107 Cu5 P8 -
Comments: Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K. Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide. Chemical science 17(1) (2026) 564-578
Space group: P 1 n 1
Cell volume: 10330.5
Cell parameters: 15.8877; 14.8052; 44.2531; 90; 97.051; 90;  

COD ID: 1576722
CIF file Formula: - C34 H40 F18 N2 O2 W -
Comments: Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene. Chemical science 17(1) (2026) 421-429
Space group: P -1
Cell volume: 1916.4
Cell parameters: 10.5049; 13.561; 13.6443; 87.086; 87.639; 81.043;  

COD ID: 1576723
CIF file Formula: - C23 H23 F18 N O2 W -
Comments: Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene. Chemical science 17(1) (2026) 421-429
Space group: C 1 2 1
Cell volume: 2834.1
Cell parameters: 20.517; 11.7363; 11.8494; 90; 96.648; 90;  

COD ID: 1576724
CIF file Formula: - C40 H52 F9 N3 O W -
Comments: Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene. Chemical science 17(1) (2026) 421-429
Space group: P -1
Cell volume: 2100
Cell parameters: 11.223; 12.684; 16.267; 77.46; 76.31; 70.79;  

COD ID: 1576725
CIF file Formula: - C28 H44 N2 W -
Comments: Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene. Chemical science 17(1) (2026) 421-429
Space group: P 1 21/n 1
Cell volume: 5369.1
Cell parameters: 13.3829; 18.8032; 22.2737; 90; 106.681; 90;  

COD ID: 1576726
CIF file Formula: - C24 H25 F18 N O2 W -
Comments: Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene. Chemical science 17(1) (2026) 421-429
Space group: P b c a
Cell volume: 5806.3
Cell parameters: 10.284; 18.2199; 30.9881; 90; 90; 90;  

COD ID: 1576727
CIF file Formula: - C58 H73 F9 N5 O1.5 W2 -
Comments: Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene. Chemical science 17(1) (2026) 421-429
Space group: P n a 21
Cell volume: 11233.5
Cell parameters: 20.8163; 13.796; 39.1164; 90; 90; 90;  

COD ID: 1576728
CIF file Formula: - C34 H22 Cl N O -
Comments: Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin Unlocking radical reactivity of cyclic diaryl λ<sup>3</sup>-chloranes through NHC-catalyzed three-component coupling. Chemical science 17(8) (2026) 4277-4284
Space group: P 1 21/n 1
Cell volume: 2598.7
Cell parameters: 9.314; 24.125; 11.578; 90; 92.692; 90;  

COD ID: 1576729
CIF file Formula: - C28 H20 Br Cl O -
Comments: Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin Unlocking radical reactivity of cyclic diaryl λ<sup>3</sup>-chloranes through NHC-catalyzed three-component coupling. Chemical science 17(8) (2026) 4277-4284
Space group: P -1
Cell volume: 1124
Cell parameters: 9.8017; 10.1659; 11.4676; 81.365; 84.82; 86.723;  

COD ID: 1576730
CIF file Formula: - C22 H24 N O7 P -
Comments: Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S. Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols. Chemical science 17(5) (2026) 2837-2846
Space group: P 21 21 21
Cell volume: 2189.98
Cell parameters: 7.06; 11.8513; 26.174; 90; 90; 90;  

COD ID: 1576731
CIF file Formula: - C24 H29 Br N O9 P -
Comments: Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S. Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols. Chemical science 17(5) (2026) 2837-2846
Space group: P 1 21/c 1
Cell volume: 2530.7
Cell parameters: 9.0691; 26.0181; 11.561; 90; 111.924; 90;  

COD ID: 1576732
CIF file Formula: - C38 H26 Br4 Cl2 Cu N2 O6 -
Comments: Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S. Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols. Chemical science 17(5) (2026) 2837-2846
Space group: P 1 21 1
Cell volume: 1896.15
Cell parameters: 10.8594; 8.1479; 21.4301; 90; 90.222; 90;  

COD ID: 1576733
CIF file Formula: - C28 H25 F3 O2 S -
Comments: Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols. Chemical science 17(5) (2026) 2802-2810
Space group: P 1 21 1
Cell volume: 1181.45
Cell parameters: 11.8702; 6.4382; 15.7216; 90; 100.479; 90;  

COD ID: 1576734
CIF file Formula: - C19 H15 F3 O2 S -
Comments: Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols. Chemical science 17(5) (2026) 2802-2810
Space group: P 21 21 21
Cell volume: 1755.51
Cell parameters: 8.6591; 12.8618; 15.7626; 90; 90; 90;  

COD ID: 1576735
CIF file Formula: - C20 H16 Br F3 O S -
Comments: Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols. Chemical science 17(5) (2026) 2802-2810
Space group: P 21 21 21
Cell volume: 1860.03
Cell parameters: 7.01707; 9.66742; 27.4191; 90; 90; 90;  

COD ID: 1576736
CIF file Formula: - C20 H16 Br F3 N0 O S -
Comments: Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols. Chemical science 17(5) (2026) 2802-2810
Space group: P b c a
Cell volume: 3708.4
Cell parameters: 17.8548; 8.0071; 25.9391; 90; 90; 90;  

COD ID: 1576737
CIF file Formula: - C50 H43 N3 O2 -
Comments: Wang, Dongmei; Chen, Xiao; Lin, Yuting; Wu, Lulu; Zhao, Zhichen; Xu, Xu; Yang, Shilong; Zhang, Jianyu; Wang, Wen-Jin; Zhao, Zheng; Wang, Shifa; Tang, Ben Zhong; Cai, Xu-Min From nature-inspired electron acceptors to BioAIE materials with polarity- and polymorphism-dependence for anti-counterfeiting. Chemical science 17(5) (2026) 2847-2857
Space group: P 21 21 21
Cell volume: 3824.77
Cell parameters: 6.3463; 16.7092; 36.0686; 90; 90; 90;  

COD ID: 1576738
CIF file Formula: - C50 H43 N3 O2 -
Comments: Wang, Dongmei; Chen, Xiao; Lin, Yuting; Wu, Lulu; Zhao, Zhichen; Xu, Xu; Yang, Shilong; Zhang, Jianyu; Wang, Wen-Jin; Zhao, Zheng; Wang, Shifa; Tang, Ben Zhong; Cai, Xu-Min From nature-inspired electron acceptors to BioAIE materials with polarity- and polymorphism-dependence for anti-counterfeiting. Chemical science 17(5) (2026) 2847-2857
Space group: P 21 21 21
Cell volume: 3830.13
Cell parameters: 6.3435; 16.7303; 36.0895; 90; 90; 90;  

COD ID: 1576739
CIF file Formula: - C39 H48 Cu F6 N6 P -
Comments: Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers. Chemical science 17(4) (2026) 2087-2101
Space group: P 1 21/n 1
Cell volume: 3815.2
Cell parameters: 11.0022; 15.0039; 23.1511; 90; 93.337; 90;  

COD ID: 1576740
CIF file Formula: - C82 H82 Cu2 N12 -
Comments: Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers. Chemical science 17(4) (2026) 2087-2101
Space group: P -1
Cell volume: 1778.14
Cell parameters: 8.3559; 11.2732; 19.0233; 90.952; 94.577; 95.28;  

COD ID: 1576741
CIF file Formula: - C31 H33 Cu F6 N5 P -
Comments: Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers. Chemical science 17(4) (2026) 2087-2101
Space group: P -1
Cell volume: 1542.32
Cell parameters: 8.9525; 12.2544; 14.4861; 78.93; 83.833; 83.018;  

COD ID: 1576742
CIF file Formula: - C31 H32 Cu N5 -
Comments: Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers. Chemical science 17(4) (2026) 2087-2101
Space group: P -1
Cell volume: 1348.4
Cell parameters: 9.1454; 11.536; 14.1953; 69.605; 74.381; 80.865;  

COD ID: 1576743
CIF file Formula: - C19 H24 Cu N5 -
Comments: Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers. Chemical science 17(4) (2026) 2087-2101
Space group: P 31
Cell volume: 4226.36
Cell parameters: 10.6182; 10.6182; 43.2847; 90; 90; 120;  

COD ID: 1576744
CIF file Formula: - C16 H10 -
Comments: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication. Chemical science 17(3) (2026) 1792-1800
Space group: P 1 21/n 1
Cell volume: 575.68
Cell parameters: 6.6124; 6.0702; 14.6218; 90; 101.223; 90;  

COD ID: 1576745
CIF file Formula: - C18 H14 -
Comments: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication. Chemical science 17(3) (2026) 1792-1800
Space group: P -1
Cell volume: 648.9
Cell parameters: 7.9679; 9.1231; 9.592; 94.674; 108.09; 98.755;  

COD ID: 1576746
CIF file Formula: - C24 H14 -
Comments: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication. Chemical science 17(3) (2026) 1792-1800
Space group: P 1 21/c 1
Cell volume: 795.36
Cell parameters: 18.027; 6.0037; 7.4853; 90; 100.955; 90;  

COD ID: 1576747
CIF file Formula: - C18 H8 F6 O2 -
Comments: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication. Chemical science 17(3) (2026) 1792-1800
Space group: P -1
Cell volume: 768.64
Cell parameters: 5.7176; 8.1893; 16.8245; 102.49; 90.921; 91.588;  

COD ID: 1576748
CIF file Formula: - C18 H14 -
Comments: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication. Chemical science 17(3) (2026) 1792-1800
Space group: C 1 2/c 1
Cell volume: 1358.85
Cell parameters: 28.1055; 6.0041; 8.0558; 90; 91.627; 90;  

COD ID: 1576749
CIF file Formula: - C16 H8 F2 -
Comments: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication. Chemical science 17(3) (2026) 1792-1800
Space group: P 1 21/n 1
Cell volume: 569.64
Cell parameters: 3.8729; 5.8479; 25.1558; 90; 91.054; 90;  


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