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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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;  

COD ID: 1576750
CIF file Formula: - C10 H20 Cl4 Cu F4 N2 -
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 m c m
Cell volume: 1757.69
Cell parameters: 23.9619; 7.9649; 9.2096; 90; 90; 90;  

COD ID: 1576751
CIF file Formula: - C16 H8 Cl2 -
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: 642.3
Cell parameters: 3.9499; 24.878; 6.5419; 90; 92.301; 90;  

COD ID: 1576752
CIF file Formula: - C18 H8 F6 -
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: 1131.27
Cell parameters: 7.7; 12.7133; 12.8164; 67.196; 86.035; 78.018;  

COD ID: 1576753
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: 584.03
Cell parameters: 3.9352; 5.8927; 25.1923; 90; 91.318; 90;  

COD ID: 1576754
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 21/c 1
Cell volume: 2075.41
Cell parameters: 15.4811; 17.3094; 7.75492; 90; 92.902; 90;  

COD ID: 1576755
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: 387.8
Cell parameters: 4.4784; 5.3235; 16.34; 86.417; 86.14; 88.66;  

COD ID: 1576756
CIF file Formula: - C24 H26 -
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: 1983.4
Cell parameters: 12.5044; 9.9663; 15.9532; 90; 93.953; 90;  

COD ID: 1576757
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: 1654.29
Cell parameters: 6.9786; 15.6479; 15.8333; 106.824; 91.106; 90.882;  

COD ID: 1576758
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: 804.43
Cell parameters: 18.0232; 6.0194; 7.5591; 90; 101.211; 90;  

COD ID: 1576759
CIF file Formula: - C10 H20 Cl4 Cu F4 N2 -
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 m c 21
Cell volume: 1718.67
Cell parameters: 23.8905; 7.8128; 9.2079; 90; 90; 90;  

COD ID: 1576766
CIF file Formula: - C11 H20 Cl Cu N2 -
Comments: Yan, Connly; Chang, Tieyan; Chen, Yu-Sheng; Paterson, Alexander L.; McElheny, Dan; Mankad, Neal P. Hidden in plain sight: commonly used copper N-heterocyclic carbene catalysts gain stabilization from anagostic Cu⋯H-C interactions. Chemical science 17(9) (2026) 4734-4743
Space group: C 1 2/c 1
Cell volume: 1331.43
Cell parameters: 10.8524; 11.6698; 11.0084; 90; 107.253; 90;  

COD ID: 1576767
CIF file Formula: - C24 H24 O3 -
Comments: Liu, Shuili; Liu, Xingji; Gu, Xiu; Dong, Shicheng; Huang, Nan; Shi, Lei; Jiang, Jun Pyrene-based conjugated porous polymers as photocatalysts for oxidative cycloaddition of phenols. Chemical science 17(9) (2026) 4669-4677
Space group: P -1
Cell volume: 975.62
Cell parameters: 9.8677; 10.1558; 10.8302; 112.405; 101.117; 92.787;  

COD ID: 1576768
CIF file Formula: - C21 H16 S2 -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P b c a
Cell volume: 3383.7
Cell parameters: 10.759; 15.6784; 20.0594; 90; 90; 90;  

COD ID: 1576769
CIF file Formula: - C20 H12 O2 S2 -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P b c a
Cell volume: 3123.3
Cell parameters: 7.8957; 16.3997; 24.1206; 90; 90; 90;  

COD ID: 1576770
CIF file Formula: - C20 H12 S -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P 21 21 21
Cell volume: 1366.55
Cell parameters: 5.2323; 8.9668; 29.1269; 90; 90; 90;  

COD ID: 1576771
CIF file Formula: - C44 H24 S4 -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P -1
Cell volume: 796.78
Cell parameters: 7.9692; 9.1737; 11.3045; 97.109; 101.458; 95.919;  

COD ID: 1576772
CIF file Formula: - C22 H12 S -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P 21 21 21
Cell volume: 1443.04
Cell parameters: 4.7483; 15.0591; 20.181; 90; 90; 90;  

COD ID: 1576773
CIF file Formula: - C20 H12 S2 -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P -1
Cell volume: 1511.25
Cell parameters: 9.7309; 11.2753; 14.8333; 106.545; 90.845; 103.498;  

COD ID: 1576774
CIF file Formula: - C20 H12 O4 S2 -
Comments: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology. Chemical science 17(9) (2026) 4594-4600
Space group: P b c a
Cell volume: 3382.17
Cell parameters: 8.0232; 16.8258; 25.0537; 90; 90; 90;  

COD ID: 1576791
CIF file Formula: - C35 H54 F6 N4 O9 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 n 1
Cell volume: 2532.09
Cell parameters: 10.4962; 16.7168; 14.4309; 90; 90.026; 90;  

COD ID: 1576792
CIF file Formula: - C44 H63 F6 N7 O11 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 65
Cell volume: 8002.4
Cell parameters: 13.7455; 13.7455; 48.9066; 90; 90; 120;  

COD ID: 1576793
CIF file Formula: - C42 H53 F6 N7 O6 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P -1
Cell volume: 2412.22
Cell parameters: 10.2822; 13.2602; 17.8827; 94.291; 97.156; 90.21;  

COD ID: 1576794
CIF file Formula: - C38 H42 F16 N4 O6 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/c 1
Cell volume: 13377.6
Cell parameters: 33.48865; 18.15171; 22.02616; 90; 92.3847; 90;  

COD ID: 1576795
CIF file Formula: - C17 H30 F3 N2 O3 P S -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/n 1
Cell volume: 2208.29
Cell parameters: 9.5421; 20.016; 11.7739; 90; 100.886; 90;  

COD ID: 1576796
CIF file Formula: - C49 H66 F15 N6 O9 P3 S3 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/c 1
Cell volume: 6107.54
Cell parameters: 14.8279; 15.676; 26.6476; 90; 99.586; 90;  

COD ID: 1576797
CIF file Formula: - C37 H49 Br F8 N4 O6 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/c 1
Cell volume: 4400.43
Cell parameters: 18.3115; 12.4673; 19.7589; 90; 102.704; 90;  

COD ID: 1576798
CIF file Formula: - C38 H42 F16 N4 O6 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/n 1
Cell volume: 2233.11
Cell parameters: 10.9428; 14.6785; 14.0224; 90; 97.491; 90;  

COD ID: 1576799
CIF file Formula: - C40 H50 F6 N6 O6 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: C 1 2/c 1
Cell volume: 4443.35
Cell parameters: 25.0983; 9.1242; 20.5645; 90; 109.348; 90;  

COD ID: 1576800
CIF file Formula: - C30 H53 F3 N2 O6 P2 S -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/n 1
Cell volume: 3522.25
Cell parameters: 10.5851; 18.8359; 17.7309; 90; 94.902; 90;  

COD ID: 1576801
CIF file Formula: - C25 H35 F3 N3 O5 P S -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P c a 21
Cell volume: 2781.74
Cell parameters: 21.549; 8.4698; 15.2411; 90; 90; 90;  

COD ID: 1576802
CIF file Formula: - C25 H33 F3 N3 O5 P S -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/c 1
Cell volume: 2684.94
Cell parameters: 10.9283; 14.6147; 16.8837; 90; 95.322; 90;  

COD ID: 1576803
CIF file Formula: - C31 H41 F11 N4 O6 P2 S2 -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 41
Cell volume: 4127.55
Cell parameters: 13.68062; 13.68062; 22.05367; 90; 90; 90;  

COD ID: 1576804
CIF file Formula: - C19 H21 F8 N2 O3 P S -
Comments: Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J. Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers. Chemical science 17(9) (2025) 4678-4687
Space group: P 1 21/c 1
Cell volume: 4590.5
Cell parameters: 9.6269; 26.2948; 18.146; 90; 92.044; 90;  

COD ID: 1576805
CIF file Formula: - C97.5 H234 N48 O86 Pd6 -
Comments: Maitra, Pranay Kumar; Rinshad, Valiyakath Abdul; Hickey, Neal; Mukherjee, Partha Sarathi Selective photocatalytic oxidative cleavage of terminal alkynes to carboxylic acids within a water-soluble Pd<sub>6</sub> nanocage. Chemical science 17(9) (2026) 4487-4495
Space group: P 1
Cell volume: 9280
Cell parameters: 21.189; 22.633; 23.227; 62.872; 77.08; 69.898;  

COD ID: 1576806
CIF file Formula: - C30 H38 N3 Na O S Si2 -
Comments: Mrózek, Ondřej; Heil, Tabea; Hanzl, Lukáš; Belyaev, Andrey; Sen, Indranil; Pilch, Patrick; Wang, Zhe; Steffen, Andreas Sodium-based donor-acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer. Chemical science 17(9) (2025) 4803-4813
Space group: P 1 21/n 1
Cell volume: 3333.7
Cell parameters: 11.0634; 18.5248; 16.7331; 90; 103.568; 90;  

COD ID: 1576807
CIF file Formula: - C38 H35 N6 Na S Si2 -
Comments: Mrózek, Ondřej; Heil, Tabea; Hanzl, Lukáš; Belyaev, Andrey; Sen, Indranil; Pilch, Patrick; Wang, Zhe; Steffen, Andreas Sodium-based donor-acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer. Chemical science 17(9) (2025) 4803-4813
Space group: P 1 21/c 1
Cell volume: 4092.42
Cell parameters: 14.9815; 13.403; 20.4053; 90; 92.804; 90;  

COD ID: 1576808
CIF file Formula: - C33 H20 O2 -
Comments: Chen, Yuanyuan; Zhang, Yue; Wu, Guoyi; Luo, Ting; Jiang, Jialiang; Wang, Tengyue; Guo, Xiaoya; Zhang, Kaka Ultrabright and narrowband organic afterglow achieved by molecular engineering of coronene. Chemical science 17(9) (2026) 4538-4547
Space group: P 1 21/n 1
Cell volume: 2140.8
Cell parameters: 15.4084; 7.9638; 18.8192; 90; 112.025; 90;  


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