Crystallography Open Database

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Searching journal of publication like 'Chemical science' volume of publication is 16

COD ID: 1572875
CIF file Formula: - C6 H18 Cl4 Cu N2 O3 Si2 -
Comments: Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A. Leveraging ordered voids in microporous perovskites for intercalation and post-synthetic modification. Chemical science 16(3) (2024) 1147-1154
Space group: F m m m
Cell volume: 7108.6
Cell parameters: 10.2369; 20.4352; 33.981; 90; 90; 90;  

COD ID: 1573035
CIF file Formula: - C119 H167 F12 N29 O12 P2 -
Comments: Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science 16(1) (2024) 83-89
Space group: P 1 21/n 1
Cell volume: 11281.1
Cell parameters: 16.0516; 25.7006; 27.3571; 90; 91.647; 90;  

COD ID: 1573036
CIF file Formula: - C58 H91.5 F12 N26 O17.75 P2 -
Comments: Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science 16(1) (2024) 83-89
Space group: A m a 2
Cell volume: 7381.45
Cell parameters: 17.47878; 27.72924; 15.22975; 90; 90; 90;  

COD ID: 1573037
CIF file Formula: - C67 H99 F12 N29 O14 P2 -
Comments: Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science 16(1) (2024) 83-89
Space group: P a -3
Cell volume: 49694
Cell parameters: 36.765; 36.765; 36.765; 90; 90; 90;  

COD ID: 1573038
CIF file Formula: - C67 H98 F12 N29 O14.5 P2 -
Comments: Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science 16(1) (2024) 83-89
Space group: P a -3
Cell volume: 49810.5
Cell parameters: 36.79372; 36.79372; 36.79372; 90; 90; 90;  

COD ID: 1573045
CIF file Formula: - C66 H44 B Cl4 F20 N O P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P -1
Cell volume: 3161
Cell parameters: 13.37; 15.247; 16.3; 87.59; 75.11; 79.81;  

COD ID: 1573046
CIF file Formula: - C63 H48 B Cl2 F20 N O P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: C 1 c 1
Cell volume: 5892.1
Cell parameters: 10.1018; 31.87; 18.321; 90; 92.637; 90;  

COD ID: 1573047
CIF file Formula: - C65 H42 B F20 N O P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P -1
Cell volume: 3057
Cell parameters: 13.124; 16.183; 17.493; 110.67; 95.58; 113.696;  

COD ID: 1573048
CIF file Formula: - C32.5 H34 Cl2 N O P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P -1
Cell volume: 3117.5
Cell parameters: 12.944; 13.582; 19.223; 103.948; 103.841; 97.75;  

COD ID: 1573049
CIF file Formula: - C71 H48 B Cl2 F20 N O P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P -1
Cell volume: 3226
Cell parameters: 14.195; 15.574; 16.591; 82.59; 77.118; 64.527;  

COD ID: 1573050
CIF file Formula: - C71 H58 B Cl4 F20 N O P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P -1
Cell volume: 3473.5
Cell parameters: 13.127; 16.617; 17.814; 114.495; 98.862; 91.899;  

COD ID: 1573051
CIF file Formula: - C48 H34 Al F36 N O5 P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P b c a
Cell volume: 11596
Cell parameters: 20.836; 18.713; 29.74; 90; 90; 90;  

COD ID: 1573052
CIF file Formula: - C63 H40 B F20 N O2 P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: P 1 21/c 1
Cell volume: 6298
Cell parameters: 11.884; 16.729; 31.882; 90; 96.442; 90;  

COD ID: 1573053
CIF file Formula: - C64 H42 B F20 N O2 P2 -
Comments: You, Lijun; Roth, Daniel; Greb, Lutz Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism. Chemical science 16(4) (2025) 1716-1721
Space group: C 1 2/c 1
Cell volume: 12331
Cell parameters: 50.046; 10.705; 27.527; 90; 123.266; 90;  

COD ID: 1573142
CIF file Formula: - C36 H22 B Cl Co F10 Fe N15 O4 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4514
Cell parameters: 14.768; 22.615; 14.318; 90; 109.286; 90;  

COD ID: 1573143
CIF file Formula: - C38 H32 B Cl Co F10 Fe N15 O7 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4670
Cell parameters: 14.938; 20.83; 15.45; 90; 103.72; 90;  

COD ID: 1573144
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4482.4
Cell parameters: 14.555; 22.133; 14.59; 90; 107.506; 90;  

COD ID: 1573145
CIF file Formula: - C38 H29 B Cl Co F10 Fe N15 O7 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4614
Cell parameters: 14.867; 20.702; 15.437; 90; 103.782; 90;  

COD ID: 1573146
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4436.8
Cell parameters: 14.5844; 21.947; 14.54; 90; 107.574; 90;  

COD ID: 1573147
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4487
Cell parameters: 14.5597; 22.1504; 14.5863; 90; 107.475; 90;  

COD ID: 1573148
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4433.5
Cell parameters: 14.586; 21.94; 14.537; 90; 107.634; 90;  

COD ID: 1573149
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4363.9
Cell parameters: 14.608; 21.69; 14.447; 90; 107.574; 90;  

COD ID: 1573150
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4552.9
Cell parameters: 14.5088; 22.4672; 14.6367; 90; 107.396; 90;  

COD ID: 1573151
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4409.6
Cell parameters: 14.5659; 21.8912; 14.5075; 90; 107.593; 90;  

COD ID: 1573152
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4373.6
Cell parameters: 14.6328; 21.6526; 14.4816; 90; 107.596; 90;  

COD ID: 1573153
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4451.1
Cell parameters: 14.618; 21.998; 14.513; 90; 107.492; 90;  

COD ID: 1573154
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4565.4
Cell parameters: 14.5189; 22.4945; 14.6481; 90; 107.387; 90;  

COD ID: 1573155
CIF file Formula: - C36 H24 B Cl Co F10 Fe N15 O5 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4565
Cell parameters: 14.5568; 22.4909; 14.6069; 90; 107.337; 90;  

COD ID: 1573156
CIF file Formula: - C38 H29 B Cl Co F10 Fe N15 O7 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4607
Cell parameters: 14.852; 20.7; 15.425; 90; 103.695; 90;  

COD ID: 1573157
CIF file Formula: - C38 H29 B Cl Co F10 Fe N15 O7 -
Comments: Yadav, Jyoti; Konar, Sanjit Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue. Chemical science 16(1) (2024) 130-138
Space group: P 1 21/c 1
Cell volume: 4539
Cell parameters: 14.735; 20.586; 15.382; 90; 103.396; 90;  

COD ID: 1573160
CIF file Formula: - C84 H100 Ga2 N4 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: I 41 c d
Cell volume: 14129.2
Cell parameters: 17.2516; 17.2516; 47.4743; 90; 90; 90;  

COD ID: 1573161
CIF file Formula: - C80 H78 F16 Ga2 N4 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: P 1 21/c 1
Cell volume: 7418.3
Cell parameters: 19.4377; 19.6182; 19.7964; 90; 100.679; 90;  

COD ID: 1573162
CIF file Formula: - C82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: P -1
Cell volume: 3795.66
Cell parameters: 10.8571; 14.302; 25.6182; 98.115; 96.616; 102.807;  

COD ID: 1573163
CIF file Formula: - C78 H90 Cl4 Ga2 N4 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: P 1 21/n 1
Cell volume: 3711.3
Cell parameters: 10.3023; 18.4534; 20.0384; 90; 103.039; 90;  

COD ID: 1573164
CIF file Formula: - C73 H86 Ga2 N4 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: P -1
Cell volume: 3288.5
Cell parameters: 12.7988; 14.6243; 18.1282; 80.487; 79.632; 85.811;  

COD ID: 1573165
CIF file Formula: - C66 H78 Ga2 I4 N4 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: P -1
Cell volume: 1596.52
Cell parameters: 10.5694; 12.1801; 13.6704; 101.963; 98.911; 107.53;  

COD ID: 1573166
CIF file Formula: - C88 H88 F12 Ga2 N6 -
Comments: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms. Chemical science 16(5) (2025) 2222-2230
Space group: C 1 2/c 1
Cell volume: 7945
Cell parameters: 21.1589; 19.2641; 19.4975; 90; 91.377; 90;  

COD ID: 1573176
CIF file Formula: - C31 H51 N O5 -
Comments: Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase. Chemical science 16(1) (2024) 310-317
Space group: C 1 2 1
Cell volume: 2890.52
Cell parameters: 13.5566; 6.1185; 34.8632; 90; 91.681; 90;  

COD ID: 1573177
CIF file Formula: - C30 H51 N O5 -
Comments: Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase. Chemical science 16(1) (2024) 310-317
Space group: P 21 21 21
Cell volume: 3020.83
Cell parameters: 7.2412; 12.2368; 34.0916; 90; 90; 90;  

COD ID: 1573178
CIF file Formula: - C28 H28 Al4 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 3924.7
Cell parameters: 9.775; 16.6702; 25.7105; 107.247; 93.692; 98.988;  

COD ID: 1573179
CIF file Formula: - C12 H8 Al4 Br8 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 1149.72
Cell parameters: 8.5249; 10.084; 15.022; 80.5; 80.878; 65.121;  

COD ID: 1573180
CIF file Formula: - C23 H29 Al2 K N2 O1.5 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 2511.9
Cell parameters: 10.9074; 12.1287; 20.097; 90.03; 91.767; 109.036;  

COD ID: 1573181
CIF file Formula: - C30 H30 Al2 N2 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 689.09
Cell parameters: 9.0697; 9.2595; 9.8024; 112.117; 105.052; 102.588;  

COD ID: 1573182
CIF file Formula: - C24 H16 Al4 Br4 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P 1 2/n 1
Cell volume: 1269.13
Cell parameters: 10.1518; 9.9203; 12.7992; 90; 100.072; 90;  

COD ID: 1573183
CIF file Formula: - C13.9 H13.69 Al4 Br6.1 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 575.78
Cell parameters: 8.1909; 8.1869; 9.8777; 109.179; 102.057; 104.104;  

COD ID: 1573184
CIF file Formula: - C22 H24.67 Al2 N2.67 O0.67 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P 1 21/n 1
Cell volume: 2110.05
Cell parameters: 9.87648; 14.3894; 15.3682; 90; 104.96; 90;  

COD ID: 1573185
CIF file Formula: - C20 H28 Al2 Br2 O2 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: C 1 2/c 1
Cell volume: 2289.4
Cell parameters: 19.694; 7.0404; 19.08; 90; 120.073; 90;  

COD ID: 1573186
CIF file Formula: - C20 H24 Al2 Br2 O2 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P 1 21/n 1
Cell volume: 2126.54
Cell parameters: 9.5845; 13.7779; 16.7652; 90; 106.151; 90;  

COD ID: 1573187
CIF file Formula: - C12 H8 Al4 Br8 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 578.24
Cell parameters: 8.071; 8.2992; 9.8658; 108.901; 101.51; 103.983;  

COD ID: 1573188
CIF file Formula: - C28 H24 Al2 Br2 N2 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P -1
Cell volume: 691.18
Cell parameters: 9.0374; 9.3213; 9.7274; 110.307; 104.486; 104.444;  

COD ID: 1573189
CIF file Formula: - C22 H40 Al2 Br5 N -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P 1 21 1
Cell volume: 1568.05
Cell parameters: 9.4049; 16.9807; 10.3837; 90; 108.989; 90;  

COD ID: 1573190
CIF file Formula: - C22 H30 Al2 O2 -
Comments: Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias Donor-free 9,10-dihydro-9,10-dialuminaanthracenes. Chemical science 16(1) (2024) 147-155
Space group: P 1 21/n 1
Cell volume: 2197.8
Cell parameters: 9.9086; 13.8047; 16.1315; 90; 95.104; 90;  

COD ID: 1573214
CIF file Formula: - C14 H13 Br O3 -
Comments: Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes. Chemical science 16(1) (2024) 205-210
Space group: P 1 21/c 1
Cell volume: 1308.5
Cell parameters: 6.5459; 7.4134; 27.118; 90; 96.115; 90;  

COD ID: 1573215
CIF file Formula: - C16 H14 O5 -
Comments: Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes. Chemical science 16(1) (2024) 205-210
Space group: P 1 21 1
Cell volume: 681.27
Cell parameters: 6.7856; 6.0442; 16.6292; 90; 92.683; 90;  

COD ID: 1573216
CIF file Formula: - C17 H24 Cu2 I3 N5 O -
Comments: Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science 16(3) (2025) 1106-1114
Space group: P 1 21/c 1
Cell volume: 2383.61
Cell parameters: 10.8995; 16.7093; 13.8142; 90; 108.662; 90;  

COD ID: 1573217
CIF file Formula: - C18 H26 Cu2 I3 N5 O -
Comments: Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science 16(3) (2025) 1106-1114
Space group: P 1 21/c 1
Cell volume: 2504
Cell parameters: 11.453; 17.025; 12.8883; 90; 94.855; 90;  

COD ID: 1573218
CIF file Formula: - C34 H47 Cu4 I6 N9 O2 -
Comments: Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science 16(3) (2025) 1106-1114
Space group: P -1
Cell volume: 1166.1
Cell parameters: 10.1107; 11.2297; 11.9172; 73.93; 67.168; 71.862;  

COD ID: 1573219
CIF file Formula: - C15 H19 Cu2 I3 N4 O2 -
Comments: Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains. Chemical science 16(3) (2025) 1106-1114
Space group: P 1 21/n 1
Cell volume: 2296.3
Cell parameters: 11.4886; 13.4361; 15.0603; 90; 98.972; 90;  

COD ID: 1573220
CIF file Formula: - C26 H58 B F4 N P2 Pt -
Comments: Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations. Chemical science 16(3) (2025) 1271-1287
Space group: P 1 21/n 1
Cell volume: 3095.2
Cell parameters: 8.585; 12.11; 29.773; 90; 90.461; 90;  

COD ID: 1573221
CIF file Formula: - C24 H57 B F4 O P2 Pt -
Comments: Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations. Chemical science 16(3) (2025) 1271-1287
Space group: P 1 21/c 1
Cell volume: 3032.63
Cell parameters: 11.5231; 16.5896; 16.5713; 90; 106.8; 90;  

COD ID: 1573222
CIF file Formula: - C26 H59 B Cl4 F4 P2 Pt -
Comments: Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J. Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations. Chemical science 16(3) (2025) 1271-1287
Space group: C 1 c 1
Cell volume: 3712.06
Cell parameters: 11.1587; 19.7667; 16.9439; 90; 96.666; 90;  

COD ID: 1573223
CIF file Formula: - C70 H92 Cl2 N6 O26 Zr6 -
Comments: Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D. Tunable synthesis of heteroleptic zirconium-based porous coordination cages. Chemical science 16(2) (2025) 816-823
Space group: P n m a
Cell volume: 9362.9
Cell parameters: 14.0277; 31.9593; 20.8847; 90; 90; 90;  

COD ID: 1573224
CIF file Formula: - C9 H5 As S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P 1 21/n 1
Cell volume: 890.86
Cell parameters: 10.5045; 6.2032; 13.9819; 90; 102.093; 90;  

COD ID: 1573225
CIF file Formula: - C17 H9 As S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: C 1 2/c 1
Cell volume: 2652.6
Cell parameters: 13.4892; 8.5408; 23.219; 90; 97.422; 90;  

COD ID: 1573226
CIF file Formula: - C17 H9 As S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P 1 21/c 1
Cell volume: 1365.38
Cell parameters: 13.1348; 8.5422; 12.1986; 90; 93.983; 90;  

COD ID: 1573227
CIF file Formula: - C17 H9 P S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: C 1 2/c 1
Cell volume: 2610.9
Cell parameters: 13.2423; 8.4253; 23.582; 90; 97.092; 90;  

COD ID: 1573228
CIF file Formula: - C34 H20 O3 P2 S4 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P -1
Cell volume: 1670.53
Cell parameters: 7.4187; 13.2453; 17.9755; 77.315; 81.898; 76.885;  

COD ID: 1573229
CIF file Formula: - C34 H16 As2 S4 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P -1
Cell volume: 1396.77
Cell parameters: 8.0954; 11.366; 15.4655; 87.822; 85.309; 80.114;  

COD ID: 1573230
CIF file Formula: - C17 H9 As S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P 1 21/c 1
Cell volume: 1349.08
Cell parameters: 14.5703; 3.9421; 23.8017; 90; 99.317; 90;  

COD ID: 1573231
CIF file Formula: - C15 H11 As O4 S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P 1 21/c 1
Cell volume: 1545.01
Cell parameters: 10.403; 14.0494; 10.7101; 90; 99.246; 90;  

COD ID: 1573232
CIF file Formula: - C9 H5 As S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P 1 n 1
Cell volume: 891.82
Cell parameters: 6.1248; 11.3296; 12.9122; 90; 95.535; 90;  

COD ID: 1573233
CIF file Formula: - C14 H5 As O5 S2 W -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P -1
Cell volume: 785.92
Cell parameters: 7.312; 10.1653; 11.2954; 92.355; 106.909; 100.48;  

COD ID: 1573234
CIF file Formula: - C23 H13 As S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: I 1 2/a 1
Cell volume: 3633.5
Cell parameters: 16.1897; 7.1373; 31.4478; 90; 90.732; 90;  

COD ID: 1573235
CIF file Formula: - C23 H15 As O4 S2 -
Comments: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science 16(3) (2025) 1126-1135
Space group: P n a 21
Cell volume: 4170.9
Cell parameters: 17.8326; 7.736; 30.234; 90; 90; 90;  

COD ID: 1573236
CIF file Formula: - C37 H24 N2 O -
Comments: Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30. Chemical science 16(1) (2024) 156-162
Space group: P -1
Cell volume: 1284.1
Cell parameters: 6.499; 11.218; 17.798; 97.448; 93.423; 90.73;  

COD ID: 1573237
CIF file Formula: - C37 H22 N2 O2 -
Comments: Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30. Chemical science 16(1) (2024) 156-162
Space group: P -1
Cell volume: 1284.87
Cell parameters: 5.7116; 12.3669; 18.667; 102.633; 91.04; 92.503;  

COD ID: 1573254
CIF file Formula: - C11 H15 Ag F6 N5 P -
Comments: Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions. Chemical science 16(1) (2024) 163-170
Space group: P -1
Cell volume: 833.34
Cell parameters: 8.9329; 9.2591; 11.0005; 97.817; 98.36; 109.228;  

COD ID: 1573255
CIF file Formula: - C10 H16 Ag F6 N4 P -
Comments: Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions. Chemical science 16(1) (2024) 163-170
Space group: C 1 2/c 1
Cell volume: 1567.7
Cell parameters: 11.2729; 21.486; 6.9612; 90; 111.597; 90;  

COD ID: 1573256
CIF file Formula: - C760 H564 Cd16 N96 O16 -
Comments: Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yu-Ming; Zhang, Zhe; Wu, Tun; Wang, Pingshan Dynamic selection in metallo-organic cube Cd<sup>II</sup> <sub>8</sub>L<sub>4</sub> conformations induced by perfluorooctanoate encapsulation. Chemical science 16(1) (2024) 364-370
Space group: C c c a :2
Cell volume: 50280
Cell parameters: 28.333; 43.635; 40.669; 90; 90; 90;  

COD ID: 1573269
CIF file Formula: - C166 H123 -
Comments: Sanderson, Hugh J.; Helbig, Andreas; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich Reversible formation of tetraphenylpentalene, a room temperature stable antiaromatic hydrocarbon. Chemical science 16(2) (2025) 952-961
Space group: C 1 2/c 1
Cell volume: 11467.2
Cell parameters: 43.6143; 10.572; 25.1335; 90; 98.309; 90;  

COD ID: 1573270
CIF file Formula: - C40 H56 Fe P2 -
Comments: Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf P<sup>+</sup> addition and transfer involving a tetraphosphenium ion. Chemical science 16(1) (2024) 139-146
Space group: P 1 21/n 1
Cell volume: 3597.8
Cell parameters: 6.0446; 34.1672; 17.5241; 90; 96.228; 90;  

COD ID: 1573271
CIF file Formula: - C18 H28 B F4 Fe P3 -
Comments: Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf P<sup>+</sup> addition and transfer involving a tetraphosphenium ion. Chemical science 16(1) (2024) 139-146
Space group: P 1 21/n 1
Cell volume: 2160.47
Cell parameters: 10.9377; 15.3369; 13.4763; 90; 107.121; 90;  

COD ID: 1573272
CIF file Formula: - C42 H58 Al2 Cl12 Fe P4 -
Comments: Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf P<sup>+</sup> addition and transfer involving a tetraphosphenium ion. Chemical science 16(1) (2024) 139-146
Space group: P -1
Cell volume: 2804.5
Cell parameters: 9.2572; 16.6386; 18.679; 96.852; 99.363; 94.47;  

COD ID: 1573273
CIF file Formula: - C20 H51 O4 Si3 Y -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 1 21/n 1
Cell volume: 3052.23
Cell parameters: 9.9283; 32.1189; 10.3633; 90; 112.542; 90;  

COD ID: 1573274
CIF file Formula: - C20 H51 Lu O4 Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 1 21/c 1
Cell volume: 2984.4
Cell parameters: 10.6318; 9.5844; 29.2885; 90; 90.415; 90;  

COD ID: 1573275
CIF file Formula: - C18 H47 Lu O3 Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 1 21/n 1
Cell volume: 5562.62
Cell parameters: 19.0642; 15.9861; 19.1033; 90; 107.166; 90;  

COD ID: 1573276
CIF file Formula: - C18 H49 N2 Sc Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 21 21 21
Cell volume: 2717.95
Cell parameters: 10.2696; 15.0304; 17.6083; 90; 90; 90;  

COD ID: 1573277
CIF file Formula: - C18 H49 Lu N2 Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 21 21 21
Cell volume: 2717.96
Cell parameters: 9.7614; 16.1956; 17.1923; 90; 90; 90;  

COD ID: 1573278
CIF file Formula: - C18 H47 O3 Sc Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 1 21/n 1
Cell volume: 2737.8
Cell parameters: 9.4868; 15.7772; 18.6972; 90; 101.956; 90;  

COD ID: 1573279
CIF file Formula: - C18 H49 N2 Si3 Sm -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 21 21 21
Cell volume: 2780.26
Cell parameters: 9.8737; 16.2253; 17.3545; 90; 90; 90;  

COD ID: 1573280
CIF file Formula: - C18 H49 P2 Sc Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P n a 21
Cell volume: 2933.24
Cell parameters: 16.9327; 9.5169; 18.2023; 90; 90; 90;  

COD ID: 1573281
CIF file Formula: - C18 H47 O3 Si3 Y -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 1 21/n 1
Cell volume: 2750.13
Cell parameters: 11.1358; 18.3119; 13.4974; 90; 92.304; 90;  

COD ID: 1573282
CIF file Formula: - C22 H57 Lu O P2 Si3 -
Comments: Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L. Stabilization of reactive rare earth alkyl complexes through mechanistic studies. Chemical science 16(1) (2024) 280-287
Space group: P 21 21 21
Cell volume: 3419.25
Cell parameters: 10.4969; 18.0432; 18.0533; 90; 90; 90;  

COD ID: 1573286
CIF file Formula: - C35 H28 Cl4 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/n 1
Cell volume: 3733
Cell parameters: 8.9321; 25.8402; 16.2519; 90; 95.622; 90;  

COD ID: 1573287
CIF file Formula: - C43 H42 Cl2 O2 P2 -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/c 1
Cell volume: 3935.5
Cell parameters: 8.7241; 18.1674; 24.8336; 90; 90.885; 90;  

COD ID: 1573288
CIF file Formula: - C47 H28 F24 O2 P2 -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/c 1
Cell volume: 4725.2
Cell parameters: 10.2044; 19.1296; 24.2065; 90; 90.207; 90;  

COD ID: 1573289
CIF file Formula: - C42 H18 Cl2 F24 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/c 1
Cell volume: 4524.4
Cell parameters: 13.4013; 23.743; 14.4223; 90; 99.623; 90;  

COD ID: 1573290
CIF file Formula: - C42 H40 P2 -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P -1
Cell volume: 1779.6
Cell parameters: 9.1022; 9.6658; 20.7479; 91.7747; 92.4701; 102.405;  

COD ID: 1573291
CIF file Formula: - C42 H42 Cl2 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P n m a
Cell volume: 6130.8
Cell parameters: 16.5978; 19.5096; 18.9329; 90; 90; 90;  

COD ID: 1573292
CIF file Formula: - C22 H34 Cl2 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/n 1
Cell volume: 2340.8
Cell parameters: 7.5197; 17.6155; 17.7459; 90; 95.268; 90;  

COD ID: 1573293
CIF file Formula: - C22 H32 Cl2 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/c 1
Cell volume: 4816
Cell parameters: 19.6329; 14.5514; 18.4286; 90; 113.829; 90;  

COD ID: 1573294
CIF file Formula: - C39 H24 Cl4 F12 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/n 1
Cell volume: 4202.3
Cell parameters: 10.297; 21.652; 19.471; 90; 104.527; 90;  

COD ID: 1573295
CIF file Formula: - C42 H16 F24 P2 -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: C 1 2/c 1
Cell volume: 4062.9
Cell parameters: 18.2822; 17.4936; 15.4479; 90; 124.678; 90;  

COD ID: 1573296
CIF file Formula: - C42 H16 Cl2 F24 P2 Pt -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P 1 21/n 1
Cell volume: 4587.1
Cell parameters: 12.3782; 21.2832; 17.4143; 90; 90.947; 90;  

COD ID: 1573297
CIF file Formula: - C92 H96 Cl20 P4 Pt2 -
Comments: Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M. Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization. Chemical science 16(1) (2024) 255-279
Space group: P b c n
Cell volume: 10344
Cell parameters: 22.317; 21.114; 21.952; 90; 90; 90;  

COD ID: 1573298
CIF file Formula: - C15 H16 Eu N6 O11 -
Comments: Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E. Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu). Chemical science 16(1) (2024) 218-232
Space group: P 1 21/n 1
Cell volume: 2052.79
Cell parameters: 10.0737; 16.5107; 12.7562; 90; 104.639; 90;  

COD ID: 1573299
CIF file Formula: - C15 H16 Lu N6 O11 -
Comments: Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E. Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu). Chemical science 16(1) (2024) 218-232
Space group: P 1 21/n 1
Cell volume: 2036.39
Cell parameters: 9.9511; 16.4632; 12.8156; 90; 104.088; 90;  

COD ID: 1573300
CIF file Formula: - C30 H25 N O3 -
Comments: He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters. Chemical science 16(2) (2025) 834-839
Space group: P 1
Cell volume: 1205.68
Cell parameters: 9.9067; 11.5214; 11.6032; 93.702; 109.012; 103.102;  

COD ID: 1573301
CIF file Formula: - C30 H27 N O3 -
Comments: He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters. Chemical science 16(2) (2025) 834-839
Space group: P 21 21 21
Cell volume: 2463.58
Cell parameters: 7.51317; 15.2775; 21.463; 90; 90; 90;  

COD ID: 1573302
CIF file Formula: - C28 H21 N O2 -
Comments: He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters. Chemical science 16(2) (2025) 834-839
Space group: P 21 21 21
Cell volume: 2122.47
Cell parameters: 6.22984; 15.4298; 22.0803; 90; 90; 90;  

COD ID: 1573303
CIF file Formula: - C22 H24 Cu F12 N10 O8 S4 -
Comments: Nishiguchi, Taichi; Ohara, Yuki; Kadota, Kentaro; Zheng, Xin; Noro, Shin-Ichiro; Horike, Satoshi Mechanically induced polyamorphism in a one-dimensional coordination polymer. Chemical science 16(2) (2025) 621-626
Space group: P -1
Cell volume: 1858.52
Cell parameters: 10.3863; 13.163; 14.3802; 90.6959; 101.511; 104.786;  

COD ID: 1573309
CIF file Formula: - C14 H15 N3 -
Comments: Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K. Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals. Chemical science 16(2) (2025) 901-909
Space group: P -1
Cell volume: 637.16
Cell parameters: 8.7161; 9.2511; 9.8844; 63.309; 64.432; 72.772;  

COD ID: 1573310
CIF file Formula: - C12 H11 N3 -
Comments: Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K. Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals. Chemical science 16(2) (2025) 901-909
Space group: P 1 21/c 1
Cell volume: 1088.5
Cell parameters: 15.292; 10.45; 6.872; 90; 97.614; 90;  

COD ID: 1573368
CIF file Formula: - C59 H82 Ga2 N4 O P2 -
Comments: Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene. Chemical science 16(3) (2025) 1189-1196
Space group: P 1 21/c 1
Cell volume: 5635.2
Cell parameters: 23.5423; 13.8181; 17.4303; 90; 96.371; 90;  

COD ID: 1573369
CIF file Formula: - C72 H108 Ga2 N6 O P2 -
Comments: Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene. Chemical science 16(3) (2025) 1189-1196
Space group: C 1 2/c 1
Cell volume: 14285.7
Cell parameters: 26.3977; 13.4903; 40.1349; 90; 91.7723; 90;  

COD ID: 1573370
CIF file Formula: - C69 H106 Ga2 N4 O P2 Si -
Comments: Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene. Chemical science 16(3) (2025) 1189-1196
Space group: P 1 21/c 1
Cell volume: 6854.3
Cell parameters: 15.1894; 13.1269; 34.6139; 90; 96.719; 90;  

COD ID: 1573371
CIF file Formula: - C79 H111 Ga2 N6 O P2 -
Comments: Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene. Chemical science 16(3) (2025) 1189-1196
Space group: C 1 2/c 1
Cell volume: 14863.4
Cell parameters: 20.731; 18.24; 39.5206; 90; 95.9543; 90;  

COD ID: 1573372
CIF file Formula: - C28 H27 N3 O2 S -
Comments: Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines. Chemical science 16(1) (2024) 386-392
Space group: P -1
Cell volume: 1232.74
Cell parameters: 9.4004; 10.111; 13.6049; 97.488; 104.094; 95.42;  

COD ID: 1573373
CIF file Formula: - C21 H21 N3 O -
Comments: Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines. Chemical science 16(1) (2024) 386-392
Space group: P 1 21/c 1
Cell volume: 3612.5
Cell parameters: 9.9446; 20.0301; 18.2275; 90; 95.7521; 90;  

COD ID: 1573374
CIF file Formula: - C15 H23 B O4 -
Comments: Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process. Chemical science 16(3) (2025) 1205-1215
Space group: P -1
Cell volume: 764.48
Cell parameters: 9.1472; 9.2824; 9.3217; 97.608; 94.602; 101.377;  

COD ID: 1573375
CIF file Formula: - C22 H28 B N O7 -
Comments: Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process. Chemical science 16(3) (2025) 1205-1215
Space group: P 1 21/c 1
Cell volume: 2241.84
Cell parameters: 17.4121; 10.4286; 13.1111; 90; 109.67; 90;  

COD ID: 1573376
CIF file Formula: - C9 H7 F6 N5 -
Comments: Michelini, Lorenzo; Slaney, Tanya; Virk, Seerat; Rafic, Estefanía; Qie, L. Charlie; Corejova, Klara; Lepage, Mathieu L.; Musolino, Stefania F.; Oliver, Allen G.; Etchenique, Roberto; Hong, W. David; DiLabio, Gino A.; Wulff, Jeremy E. A diazirine's central carbon is sp<sup>2</sup>-hybridized, facilitating conjugation to dye molecules. Chemical science 16(2) (2025) 970-979
Space group: P n a 21
Cell volume: 1083.2
Cell parameters: 10.0705; 18.6804; 5.758; 90; 90; 90;  

COD ID: 1573398
CIF file Formula: - C34 H28 N2 O6 -
Comments: Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform. Chemical science 16(2) (2025) 910-919
Space group: P b c a
Cell volume: 2811.2
Cell parameters: 10.6143; 13.2575; 19.9774; 90; 90; 90;  

COD ID: 1573399
CIF file Formula: - C80 H66 N16 O8 -
Comments: Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform. Chemical science 16(2) (2025) 910-919
Space group: P -1
Cell volume: 1654.2
Cell parameters: 11.1096; 11.2145; 15.2337; 68.402; 79.501; 69.937;  

COD ID: 1573400
CIF file Formula: - C100 H92 Cl3 N16 O18 -
Comments: Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan Design of an abiotic unimolecular three-helix bundle. Chemical science 16(3) (2025) 1136-1146
Space group: P -1
Cell volume: 5226.07
Cell parameters: 14.3247; 17.1233; 23.0646; 96.822; 98.846; 108.196;  

COD ID: 1573401
CIF file Formula: - C104.52 H93.44 Cl2 N19 O17.94 -
Comments: Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan Design of an abiotic unimolecular three-helix bundle. Chemical science 16(3) (2025) 1136-1146
Space group: P -1
Cell volume: 5313.14
Cell parameters: 13.1606; 17.3713; 24.34; 95.661; 93.989; 105.354;  

COD ID: 1573402
CIF file Formula: - C17 H16 F N O2 -
Comments: Tian, Kui; Jin, Zhuan; Liu, Xin-Lian; He, Ling; Liu, Hong-Fu; Yu, Pin-Ke; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang Stereodivergent assembly of δ-valerolactones with an azaarene-containing quaternary stereocenter enabled by Cu/Ru relay catalysis. Chemical science 16(3) (2025) 1233-1240
Space group: P 1 21 1
Cell volume: 746.67
Cell parameters: 6.4767; 15.7755; 7.425; 90; 100.19; 90;  

COD ID: 1573403
CIF file Formula: - C16 H19 N3 -
Comments: Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently. Chemical science 16(2) (2025) 876-888
Space group: P 1 21 1
Cell volume: 674.22
Cell parameters: 7.8385; 5.253; 16.8163; 90; 103.167; 90;  

COD ID: 1573404
CIF file Formula: - C65 H67 N5 P2 -
Comments: Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently. Chemical science 16(2) (2025) 876-888
Space group: P 1 21/c 1
Cell volume: 5430.7
Cell parameters: 10.8196; 21.236; 24.229; 90; 102.703; 90;  

COD ID: 1573405
CIF file Formula: - C17 H17 N3 -
Comments: Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently. Chemical science 16(2) (2025) 876-888
Space group: P 1 21/c 1
Cell volume: 1402.4
Cell parameters: 7.2792; 9.3758; 20.838; 90; 99.559; 90;  

COD ID: 1573406
CIF file Formula: - C65 H66 F N5 P2 -
Comments: Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently. Chemical science 16(2) (2025) 876-888
Space group: P 1 21/n 1
Cell volume: 5457.4
Cell parameters: 10.8647; 21.2993; 24.1947; 90; 102.911; 90;  

COD ID: 1573407
CIF file Formula: - C17 H19 N3 O -
Comments: Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently. Chemical science 16(2) (2025) 876-888
Space group: P 21 21 21
Cell volume: 1464.4
Cell parameters: 4.6237; 9.0404; 35.034; 90; 90; 90;  

COD ID: 1573408
CIF file Formula: - C206 H123 Al8 F233 O24 Y2 -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P 1 21/n 1
Cell volume: 13641.6
Cell parameters: 18.06498; 19.02813; 39.8336; 90; 94.9425; 90;  

COD ID: 1573409
CIF file Formula: - C74 H154 B12 Dy6 -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P -1
Cell volume: 4536
Cell parameters: 15.6166; 16.3417; 21.7358; 90.725; 110.278; 117.066;  

COD ID: 1573410
CIF file Formula: - C62 H25 Al2 Dy F78 O8 -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P 1 21/c 1
Cell volume: 8529.2
Cell parameters: 21.7517; 20.9203; 18.7796; 90; 93.564; 90;  

COD ID: 1573411
CIF file Formula: - C10 H23 B2 Dy -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P 1 21/c 1
Cell volume: 1309.61
Cell parameters: 8.3735; 20.8167; 8.5037; 90; 117.93; 90;  

COD ID: 1573412
CIF file Formula: - C40 H92 B8 Y4 -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P 1 21/c 1
Cell volume: 5361.39
Cell parameters: 16.9654; 21.7125; 14.5559; 90; 90.735; 90;  

COD ID: 1573413
CIF file Formula: - C60 H54 Al2 F57 O6 Si3 Y -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P -1
Cell volume: 4163.3
Cell parameters: 16.6426; 16.7663; 18.4889; 105.461; 104.692; 113.53;  

COD ID: 1573414
CIF file Formula: - C206 H123 Al8 Dy2 F233 O24 -
Comments: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P. A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet. Chemical science 16(2) (2025) 610-620
Space group: P 1 21/n 1
Cell volume: 14084.2
Cell parameters: 18.2139; 19.314; 40.1803; 90; 94.849; 90;  

COD ID: 1573415
CIF file Formula: - C14 H16 N4 O4 W -
Comments: Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M. Tungsten-catalyzed stereodivergent isomerization of terminal olefins. Chemical science 16(5) (2025) 2307-2315
Space group: C 1 2/c 1
Cell volume: 1626.5
Cell parameters: 8.6484; 14.2399; 13.3208; 90; 97.498; 90;  

COD ID: 1573416
CIF file Formula: - C38 H46 N2 O12 W2 -
Comments: Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M. Tungsten-catalyzed stereodivergent isomerization of terminal olefins. Chemical science 16(5) (2025) 2307-2315
Space group: P -1
Cell volume: 974.88
Cell parameters: 8.9455; 10.6935; 12.0535; 66.56; 71.07; 71.049;  

COD ID: 1573430
CIF file Formula: - C51 H43 N3 -
Comments: Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network. Chemical science 16(3) (2025) 1155-1160
Space group: P 1 21/n 1
Cell volume: 3834.3
Cell parameters: 12.0996; 10.9016; 29.2496; 90; 96.378; 90;  

COD ID: 1573431
CIF file Formula: - C49 H39 B N2 O2 -
Comments: Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network. Chemical science 16(3) (2025) 1155-1160
Space group: P 1 21/c 1
Cell volume: 3933
Cell parameters: 13.211; 20.856; 15.732; 90; 114.86; 90;  

COD ID: 1573432
CIF file Formula: - C55 H43 B N2 -
Comments: Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network. Chemical science 16(3) (2025) 1155-1160
Space group: P -1
Cell volume: 2312.08
Cell parameters: 12.2357; 13.4613; 14.9649; 78.284; 77.397; 76.902;  

COD ID: 1573433
CIF file Formula: - C50 H41 B N2 O2 -
Comments: Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network. Chemical science 16(3) (2025) 1155-1160
Space group: P -1
Cell volume: 4528.2
Cell parameters: 14.4553; 15.13; 21.027; 92.22; 94.235; 98.658;  

COD ID: 1573434
CIF file Formula: - C49 H39 B N2 O -
Comments: Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network. Chemical science 16(3) (2025) 1155-1160
Space group: P -1
Cell volume: 1974
Cell parameters: 11.919; 12.5825; 14.8081; 104.186; 110.328; 96.071;  

COD ID: 1573435
CIF file Formula: - C49 H39 B N2 -
Comments: Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network. Chemical science 16(3) (2025) 1155-1160
Space group: P -1
Cell volume: 1948
Cell parameters: 11.6677; 12.7694; 14.5328; 103.399; 109.908; 94.935;  

COD ID: 1573437
CIF file Formula: - C126 H170 Mo12 N26 O74 -
Comments: Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C. Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra. Chemical science 16(6) (2025) 2589-2599
Space group: P 1 21/n 1
Cell volume: 11342.7
Cell parameters: 23.4316; 20.2535; 24.6419; 90; 104.086; 90;  

COD ID: 1573438
CIF file Formula: - C108 H108 Mo12 N18 O72 -
Comments: Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C. Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra. Chemical science 16(6) (2025) 2589-2599
Space group: P 6/m
Cell volume: 5874.87
Cell parameters: 20.6212; 20.6212; 15.9529; 90; 90; 120;  

COD ID: 1573439
CIF file Formula: - C120 H132 Mo12 N18 O72 -
Comments: Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C. Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra. Chemical science 16(6) (2025) 2589-2599
Space group: P -1
Cell volume: 12286.5
Cell parameters: 18.9295; 20.8274; 31.777; 84.01; 86.075; 80.923;  

COD ID: 1573440
CIF file Formula: - C144 H204 Mo12 N24 O72 -
Comments: Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C. Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra. Chemical science 16(6) (2025) 2589-2599
Space group: P 1 21/n 1
Cell volume: 11867.9
Cell parameters: 23.4926; 21.0361; 24.7119; 90; 103.643; 90;  

COD ID: 1573441
CIF file Formula: - C112 H122 Mo12 N20 O72 -
Comments: Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C. Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra. Chemical science 16(6) (2025) 2589-2599
Space group: C m c e
Cell volume: 22195.8
Cell parameters: 37.4589; 29.3487; 20.1896; 90; 90; 90;  

COD ID: 1573442
CIF file Formula: - C54.83 H67.65 Cl1.65 N6 O2 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: P -1
Cell volume: 2437.3
Cell parameters: 8.0413; 14.3206; 21.6156; 78.691; 88.151; 87.222;  

COD ID: 1573443
CIF file Formula: - C54 H66 N6 S2 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: P -1
Cell volume: 1158.7
Cell parameters: 6.81179; 8.26449; 20.8251; 92.8453; 96.3218; 95.0155;  

COD ID: 1573444
CIF file Formula: - C54 H64 N8 O6 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: C 1 2/c 1
Cell volume: 4963.2
Cell parameters: 47.3727; 10.9462; 9.5717; 90; 90.519; 90;  

COD ID: 1573445
CIF file Formula: - C32 H22 N6 S2 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: P 1 21/c 1
Cell volume: 1287.76
Cell parameters: 6.73075; 13.0685; 14.6429; 90; 91.099; 90;  

COD ID: 1573446
CIF file Formula: - C32 H22 N6 O2 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: C 1 2/c 1
Cell volume: 2449.54
Cell parameters: 23.4345; 7.9786; 13.6019; 90; 105.599; 90;  

COD ID: 1573447
CIF file Formula: - C54 H66 N6 S2 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: P 1 21/c 1
Cell volume: 2379.3
Cell parameters: 26.3539; 5.7949; 16.2792; 90; 106.857; 90;  

COD ID: 1573448
CIF file Formula: - C46 H50 N6 O4 -
Comments: Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. Chemical science 16(5) (2025) 2170-2179
Space group: P 1 21/n 1
Cell volume: 4140.47
Cell parameters: 12.653; 17.7756; 18.8818; 90; 102.848; 90;  

COD ID: 1573449
CIF file Formula: - C60 H59 N24 O29.5 Zn9 -
Comments: Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake. Chemical science 16(4) (2025) 1730-1736
Space group: R -3 c :H
Cell volume: 11574.7
Cell parameters: 15.31573; 15.31573; 56.9773; 90; 90; 120;  

COD ID: 1573450
CIF file Formula: - C348 H288 I56.6 N156 O118.8 Zn54 -
Comments: Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake. Chemical science 16(4) (2025) 1730-1736
Space group: F d -3 :2
Cell volume: 205162
Cell parameters: 58.9792; 58.9792; 58.9792; 90; 90; 90;  

COD ID: 1573451
CIF file Formula: - C523.2 H705.2 N195.61 O170 Zn54 -
Comments: Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake. Chemical science 16(4) (2025) 1730-1736
Space group: F d -3 :2
Cell volume: 198173
Cell parameters: 58.3017; 58.3017; 58.3017; 90; 90; 90;  

COD ID: 1573455
CIF file Formula: - C34 H22 Br2 F2 N4 O2 -
Comments: Qi, Liang-Wen; Twumasi, Emmanuella Bema; Li, Xiao-Wei; Li, Rui; Lu, Yixin Reductive coupling of azonaphthalenes for the synthesis of BINAMs <i>via</i> a diboron-enabled [5,5]-sigmatropic rearrangement. Chemical science 16(3) (2025) 1441-1446
Space group: C 1 2/c 1
Cell volume: 3008.4
Cell parameters: 13.8725; 29.1188; 9.362; 90; 127.298; 90;  

COD ID: 1573456
CIF file Formula: - C28 H19 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 1 21/c 1
Cell volume: 2015.5
Cell parameters: 20.812; 7.486; 13.413; 90; 105.313; 90;  

COD ID: 1573457
CIF file Formula: - C25 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 1 21/c 1
Cell volume: 3765
Cell parameters: 23.545; 7.4959; 24.005; 90; 117.294; 90;  

COD ID: 1573458
CIF file Formula: - C24 H17 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 1 21/n 1
Cell volume: 3516.8
Cell parameters: 11.7018; 13.6726; 21.985; 90; 91.133; 90;  

COD ID: 1573459
CIF file Formula: - C25 H19 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 1 21/n 1
Cell volume: 1880.3
Cell parameters: 8.381; 20.496; 11.336; 90; 105.075; 90;  

COD ID: 1573460
CIF file Formula: - C24 H19 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: R -3 :H
Cell volume: 8358.5
Cell parameters: 32.1279; 32.1279; 9.3505; 90; 90; 120;  

COD ID: 1573461
CIF file Formula: - C30 H21 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 1 21 1
Cell volume: 2189.5
Cell parameters: 5.9514; 16.6; 22.163; 90; 90.368; 90;  

COD ID: 1573462
CIF file Formula: - C26 H19 N O S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 1 21/n 1
Cell volume: 3908.7
Cell parameters: 12.2581; 25.0852; 12.7705; 90; 95.524; 90;  

COD ID: 1573463
CIF file Formula: - C24 H17 N O2 S -
Comments: Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells. Chemical science 16(2) (2025) 709-720
Space group: P 21 21 21
Cell volume: 1854.8
Cell parameters: 7.3105; 9.5818; 26.479; 90; 90; 90;  

COD ID: 1573464
CIF file Formula: - C26 H25 F O6 -
Comments: Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes. Chemical science 16(3) (2025) 1411-1416
Space group: P -1
Cell volume: 1094.77
Cell parameters: 7.2891; 9.7884; 15.6447; 88.064; 84.589; 80.174;  

COD ID: 1573465
CIF file Formula: - C22 H19 F O2 -
Comments: Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes. Chemical science 16(3) (2025) 1411-1416
Space group: P n a 21
Cell volume: 1751.75
Cell parameters: 11.4103; 16.6264; 9.2337; 90; 90; 90;  

COD ID: 1573466
CIF file Formula: - C27 H22 F3 Fe N O2 S -
Comments: Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines. Chemical science 16(2) (2025) 700-708
Space group: P 21 21 21
Cell volume: 2316.1
Cell parameters: 9.5134; 9.874; 24.656; 90; 90; 90;  

COD ID: 1573467
CIF file Formula: - C22 H20 F3 Fe N O2 S -
Comments: Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines. Chemical science 16(2) (2025) 700-708
Space group: P -1
Cell volume: 1007.15
Cell parameters: 9.65; 10.5668; 11.6109; 89.893; 69.144; 67.203;  

COD ID: 1573468
CIF file Formula: - C27 H22 F3 Fe N O2 S -
Comments: Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines. Chemical science 16(2) (2025) 700-708
Space group: P 21 21 21
Cell volume: 2389.8
Cell parameters: 9.5665; 9.829; 25.415; 90; 90; 90;  

COD ID: 1573541
CIF file Formula: - C22 H28 Na4 O10 P2 -
Comments: Zhang, Yan; Apostol, Petru; Rambabu, Darsi; Guo, Xiaolong; Liu, Xuelian; Lin, Xiaodong; Xie, Haijiao; Chen, Xiaohua; Robeyns, Koen; Wang, Jiande; Wang, Junzhong; Vlad, Alexandru Ionically conducting Li- and Na-phosphonates as organic electrode materials for rechargeable batteries. Chemical science 16(4) (2025) 1819-1825
Space group: P 1 21/c 1
Cell volume: 1345.1
Cell parameters: 12.6672; 6.1624; 18.016; 90; 106.967; 90;  

COD ID: 1573542
CIF file Formula: - C86 H44 N2 -
Comments: Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, Minh Anh; Murdey, Richard; Wakamiya, Atsushi Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells. Chemical science 16(5) (2025) 2265-2272
Space group: I 1 2/a 1
Cell volume: 9965
Cell parameters: 15.8224; 21.9763; 28.7119; 90; 93.501; 90;  

COD ID: 1573543
CIF file Formula: - C27 H20 F2 O3 -
Comments: Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene. Chemical science 16(3) (2025) 1455-1464
Space group: P -1
Cell volume: 4218.1
Cell parameters: 9.86943; 17.5275; 26.1199; 95.7908; 99.8803; 106.339;  

COD ID: 1573545
CIF file Formula: - C26 H21 B N4 O -
Comments: Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B. Ligand protonation leads to highly fluorescent boronium cations. Chemical science 16(5) (2025) 2258-2264
Space group: P 1 21/n 1
Cell volume: 2056
Cell parameters: 9.804; 16.35; 13.564; 90; 108.989; 90;  

COD ID: 1573546
CIF file Formula: - C34 H32 B Cl3 N4 O -
Comments: Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B. Ligand protonation leads to highly fluorescent boronium cations. Chemical science 16(5) (2025) 2258-2264
Space group: P 21 21 21
Cell volume: 3115
Cell parameters: 9.673; 16.008; 20.119; 90; 90; 90;  

COD ID: 1573547
CIF file Formula: - B2 Ba Ca Cs F O5 -
Comments: Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides. Chemical science 16(4) (2025) 2015-2023
Space group: P -4 21 m
Cell volume: 689.25
Cell parameters: 8.8668; 8.8668; 8.7669; 90; 90; 90;  

COD ID: 1573548
CIF file Formula: - B2 Ba Ca F O5 Rb -
Comments: Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides. Chemical science 16(4) (2025) 2015-2023
Space group: P -4 21 m
Cell volume: 332.15
Cell parameters: 8.7713; 8.7713; 4.3173; 90; 90; 90;  

COD ID: 1573549
CIF file Formula: - B2 Ba Ca F K O5 -
Comments: Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides. Chemical science 16(4) (2025) 2015-2023
Space group: P -4 21 m
Cell volume: 326.32
Cell parameters: 8.7276; 8.7276; 4.284; 90; 90; 90;  

COD ID: 1573550
CIF file Formula: - C38 H32 N4 O2 -
Comments: Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore. Chemical science 16(4) (2025) 1772-1782
Space group: P -1
Cell volume: 734.23
Cell parameters: 7.2089; 9.3281; 11.0857; 97.148; 92.22; 96.254;  

COD ID: 1573551
CIF file Formula: - C42 H34 F6 N4 O6 -
Comments: Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore. Chemical science 16(4) (2025) 1772-1782
Space group: C 1 2/c 1
Cell volume: 4133.3
Cell parameters: 13.3398; 12.3038; 25.4069; 90; 97.608; 90;  

COD ID: 1573552
CIF file Formula: - C19 H17 N3 -
Comments: Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore. Chemical science 16(4) (2025) 1772-1782
Space group: P -1
Cell volume: 743.5
Cell parameters: 9.295; 9.499; 10.348; 79.673; 65.183; 63.713;  

COD ID: 1573553
CIF file Formula: - C64 H92 N4 Tb2 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: P n a 21
Cell volume: 5751.47
Cell parameters: 30.8903; 10.27991; 18.11204; 90; 90; 90;  

COD ID: 1573554
CIF file Formula: - C10.09 H14.96 Cl0.17 Dy0.17 N0.7 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: C 1 2/c 1
Cell volume: 5294.4
Cell parameters: 23.9612; 10.5893; 22.5423; 90; 112.235; 90;  

COD ID: 1573555
CIF file Formula: - C65 H94 I N4 Y -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: I 1 2/a 1
Cell volume: 5923.8
Cell parameters: 25.2282; 10.9625; 23.8393; 90; 116.041; 90;  

COD ID: 1573556
CIF file Formula: - C58 H86 Cl N4 Tb -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: C 1 2/c 1
Cell volume: 5282.8
Cell parameters: 23.9599; 10.5837; 22.4979; 90; 112.183; 90;  

COD ID: 1573557
CIF file Formula: - C67 H99 Dy2 N4 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: P 1 21/c 1
Cell volume: 6116.87
Cell parameters: 10.8382; 38.9439; 15.0078; 90; 105.063; 90;  

COD ID: 1573558
CIF file Formula: - C67 H99 N4 Y2 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: P 1 21/c 1
Cell volume: 6121.42
Cell parameters: 10.8398; 38.9679; 15.0051; 90; 105.029; 90;  

COD ID: 1573559
CIF file Formula: - C75 H120 N4 Tb2 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: P -1
Cell volume: 3510.01
Cell parameters: 14.4004; 15.4059; 18.05; 97.598; 103.094; 112.008;  

COD ID: 1573560
CIF file Formula: - C65 H94 Gd I N4 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: C 1 2/c 1
Cell volume: 6006.9
Cell parameters: 26.171; 11.0443; 23.94; 90; 119.762; 90;  

COD ID: 1573561
CIF file Formula: - C64 H92 Gd2 N4 -
Comments: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen Rare earth benzene tetraanion-bridged amidinate complexes. Chemical science 16(4) (2025) 1907-1924
Space group: P b c a
Cell volume: 23587
Cell parameters: 18.1193; 35.666; 36.498; 90; 90; 90;  

COD ID: 1573562
CIF file Formula: - C27 H36 B N3 O -
Comments: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon Metathesis chemistry of inorganic cumulenes driven by B-O bond formation. Chemical science 16(5) (2025) 2231-2237
Space group: P 1 21/c 1
Cell volume: 2591.5
Cell parameters: 12.67284; 9.17962; 22.43254; 90; 96.7556; 90;  

COD ID: 1573563
CIF file Formula: - C53 H74 B N5 P2 -
Comments: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon Metathesis chemistry of inorganic cumulenes driven by B-O bond formation. Chemical science 16(5) (2025) 2231-2237
Space group: P 1 21/c 1
Cell volume: 10373.4
Cell parameters: 12.8968; 19.8442; 40.8371; 90; 96.999; 90;  

COD ID: 1573564
CIF file Formula: - C45 H52.4 B2 K N3 O2 -
Comments: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon Metathesis chemistry of inorganic cumulenes driven by B-O bond formation. Chemical science 16(5) (2025) 2231-2237
Space group: I -4
Cell volume: 8227.3
Cell parameters: 22.7178; 22.7178; 15.9414; 90; 90; 90;  

COD ID: 1573565
CIF file Formula: - C33 H42 B N3 -
Comments: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon Metathesis chemistry of inorganic cumulenes driven by B-O bond formation. Chemical science 16(5) (2025) 2231-2237
Space group: P 1 21/n 1
Cell volume: 2918.06
Cell parameters: 9.7098; 16.9985; 17.7195; 90; 93.843; 90;  

COD ID: 1573566
CIF file Formula: - C60 H81 B3 N6 O -
Comments: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon Metathesis chemistry of inorganic cumulenes driven by B-O bond formation. Chemical science 16(5) (2025) 2231-2237
Space group: C 1 2/c 1
Cell volume: 11106.7
Cell parameters: 22.2498; 13.5031; 37.4373; 90; 99.081; 90;  

COD ID: 1573567
CIF file Formula: - C27 H36 B N3 S -
Comments: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon Metathesis chemistry of inorganic cumulenes driven by B-O bond formation. Chemical science 16(5) (2025) 2231-2237
Space group: I 1 2/a 1
Cell volume: 5369.63
Cell parameters: 16.90996; 9.55705; 33.35081; 90; 94.9584; 90;  

COD ID: 1573570
CIF file Formula: - C31 H29 F2 O4 P -
Comments: Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes. Chemical science 16(4) (2025) 1957-1965
Space group: P -1
Cell volume: 1357.67
Cell parameters: 9.6234; 10.4927; 14.0802; 99.31; 98.054; 100.619;  

COD ID: 1573571
CIF file Formula: - C42 H40 Br4 N12 Ni2 O6 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: P 1 21/c 1
Cell volume: 2286.3
Cell parameters: 14.4927; 9.522; 24.7089; 90; 137.895; 90;  

COD ID: 1573572
CIF file Formula: - C40 H38 Br4 Cl4 N12 Ni2 O4 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: P 1 21/c 1
Cell volume: 2376.6
Cell parameters: 13.4368; 9.1144; 20.483; 90; 108.664; 90;  

COD ID: 1573573
CIF file Formula: - C20.57 H18.49 N6.86 O2.39 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: I 1 2/a 1
Cell volume: 6519.86
Cell parameters: 13.0278; 14.7154; 34.4476; 90; 99.152; 90;  

COD ID: 1573574
CIF file Formula: - C13.82 H12.36 Br0.73 N5.09 Ni0.36 O1.45 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: P 1 21/c 1
Cell volume: 4062.85
Cell parameters: 17.1742; 13.6415; 17.8507; 90; 103.715; 90;  

COD ID: 1573575
CIF file Formula: - C17 H14 N6 O2 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: P -1
Cell volume: 780.03
Cell parameters: 6.6161; 11.0537; 11.1219; 84.188; 74.575; 88.159;  

COD ID: 1573576
CIF file Formula: - C11.5 H12.5 N2.5 O2 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: P 1 21/c 1
Cell volume: 2168.47
Cell parameters: 9.8012; 8.1826; 27.1202; 90; 94.448; 90;  

COD ID: 1573577
CIF file Formula: - C39 H52 N5 Ni O4.5 -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: C 1 2/c 1
Cell volume: 7205.54
Cell parameters: 33.3183; 9.9346; 21.7721; 90; 91.007; 90;  

COD ID: 1573578
CIF file Formula: - C37 H32 Br N5 Ni O3 P -
Comments: Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes. Chemical science 16(6) (2025) 2751-2762
Space group: P 1 21/n 1
Cell volume: 6691.75
Cell parameters: 19.3695; 17.6564; 19.5992; 90; 93.297; 90;  

COD ID: 1573584
CIF file Formula: - C24 O13 Zn4 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16416.1
Cell parameters: 25.415; 25.415; 25.415; 90; 90; 90;  

COD ID: 1573585
CIF file Formula: - C24 O13 Zn4 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: P m -3 m
Cell volume: 2108.7
Cell parameters: 12.8235; 12.8235; 12.8235; 90; 90; 90;  

COD ID: 1573586
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16810.9
Cell parameters: 25.6171; 25.6171; 25.6171; 90; 90; 90;  

COD ID: 1573587
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16866.8
Cell parameters: 25.6455; 25.6455; 25.6455; 90; 90; 90;  

COD ID: 1573588
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16855.2
Cell parameters: 25.6396; 25.6396; 25.6396; 90; 90; 90;  

COD ID: 1573589
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16838
Cell parameters: 25.6309; 25.6309; 25.6309; 90; 90; 90;  

COD ID: 1573590
CIF file Formula: - C14 N O5 Zn -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: C 1 2/c 1
Cell volume: 4559
Cell parameters: 13.6279; 16.9199; 19.7799; 90; 91.635; 90;  

COD ID: 1573591
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16921.3
Cell parameters: 25.6731; 25.6731; 25.6731; 90; 90; 90;  

COD ID: 1573592
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16944.1
Cell parameters: 25.6846; 25.6846; 25.6846; 90; 90; 90;  

COD ID: 1573593
CIF file Formula: - C96 O64 Zn16 -
Comments: Kim, Hyunyong; Cohen, Seth M. Metal-organic frameworks generated from oligomeric ligands with functionalized tethers. Chemical science 16(5) (2025) 2344-2350
Space group: F m -3 m
Cell volume: 16872.4
Cell parameters: 25.6483; 25.6483; 25.6483; 90; 90; 90;  

COD ID: 1573594
CIF file Formula: - C29 H17 N3 O3 -
Comments: Sneddon, Dorian S.; Kevorkian, Paul V.; Hoye, Thomas R. Rapid (≤25 °C) cycloisomerization of anhydride-tethered triynes to benzynes - origin of a remarkable anhydride linker-induced rate enhancement. Chemical science 16(6) (2025) 2898-2906
Space group: P 1 21/c 1
Cell volume: 2185.2
Cell parameters: 7.2038; 11.3027; 26.8583; 90; 92.223; 90;  

COD ID: 1573595
CIF file Formula: - C47 H41 N5 O5 -
Comments: Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface. Chemical science 16(8) (2025) 3459-3469
Space group: P 1 21/n 1
Cell volume: 3788.7
Cell parameters: 13.0754; 19.067; 15.68; 90; 104.258; 90;  

COD ID: 1573596
CIF file Formula: - C56 H42 N6 O5 -
Comments: Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface. Chemical science 16(8) (2025) 3459-3469
Space group: P -1
Cell volume: 4131.5
Cell parameters: 8.418; 12.809; 40.083; 91.42; 92.29; 106.79;  

COD ID: 1573597
CIF file Formula: - C44 H36 N4 O3 -
Comments: Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface. Chemical science 16(8) (2025) 3459-3469
Space group: P b c a
Cell volume: 6856
Cell parameters: 15.283; 14.723; 30.471; 90; 90; 90;  

COD ID: 1573598
CIF file Formula: - C84 H69 N9 O8 -
Comments: Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface. Chemical science 16(8) (2025) 3459-3469
Space group: P 21 21 21
Cell volume: 6620
Cell parameters: 14.434; 15.041; 30.493; 90; 90; 90;  

COD ID: 1573599
CIF file Formula: - C13 H16 I N O2 -
Comments: Shiels, Oisin J.; Brydon, Samuel C.; Poad, Berwyck L. J.; Marshall, David L.; Houston, Sevan D.; Xing, Hui; Bernhardt, Paul V.; Savage, G. Paul; Williams, Craig M.; Harman, David G.; Kirk, Benjamin B.; da Silva, Gabriel; Blanksby, Stephen J.; Trevitt, Adam J. Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions. Chemical science 16(6) (2025) 2861-2878
Space group: P -1
Cell volume: 649.26
Cell parameters: 5.4287; 8.9764; 13.4695; 96.706; 95.087; 90.122;  

COD ID: 1573617
CIF file Formula: - C29 H22 O -
Comments: Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing A comparative investigation on excimer fluorescence toward its bright future. Chemical science 16(7) (2025) 3275-3284
Space group: C 1 2/c 1
Cell volume: 4086
Cell parameters: 26.9512; 9.4305; 17.329; 90; 111.921; 90;  

COD ID: 1573618
CIF file Formula: - C43 H30 O -
Comments: Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing A comparative investigation on excimer fluorescence toward its bright future. Chemical science 16(7) (2025) 3275-3284
Space group: P -1
Cell volume: 2995.6
Cell parameters: 9.1255; 17.9972; 18.3091; 90.153; 90.817; 94.909;  

COD ID: 1573620
CIF file Formula: - C54 H67 Cu K N6 O9 -
Comments: Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction. Chemical science 16(7) (2025) 3114-3123
Space group: P -1
Cell volume: 2628.01
Cell parameters: 9.0901; 13.3962; 22.3177; 77.196; 86.431; 82.887;  

COD ID: 1573621
CIF file Formula: - C44 H48 Cl Cu N7 O3 -
Comments: Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction. Chemical science 16(7) (2025) 3114-3123
Space group: P -1
Cell volume: 2087.09
Cell parameters: 9.6787; 10.7885; 20.4415; 96.743; 90.805; 99.865;  

COD ID: 1573622
CIF file Formula: - C98 H118 F6 N6 O2 S4 -
Comments: Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics. Chemical science 16(7) (2025) 3259-3274
Space group: C 1 2/c 1
Cell volume: 18261.3
Cell parameters: 25.2111; 22.7564; 33.5239; 90; 108.292; 90;  

COD ID: 1573623
CIF file Formula: - C100 H124 F4 N6 O2 S4 -
Comments: Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics. Chemical science 16(7) (2025) 3259-3274
Space group: P -1
Cell volume: 14140.1
Cell parameters: 21.223; 21.3687; 32.1128; 91.951; 91.3666; 103.586;  

COD ID: 1573677
CIF file Formula: - C11 H15 B F2 I N O6 -
Comments: Wu, Hengbo; Luo, Ruitong; Peng, Jingjing; Han, Zijian; Zhang, Renjie; Xu, Zhijian; Zhu, Weiliang; Liu, Hong; Li, Chunpu B(MIDA)-directed site-selective intermolecular halofluoroalkylation of alkenes: synthesis of diversely functionalized building blocks. Chemical science 16(6) (2025) 2710-2717
Space group: C 1 2/c 1
Cell volume: 9236.1
Cell parameters: 51.208; 7.1184; 31.56; 90; 126.597; 90;  

COD ID: 1573678
CIF file Formula: - Cu10 S13 Te4 -
Comments: Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS<sub>3</sub>]<sup>2-</sup> functional units. Chemical science 16(7) (2025) 3218-3227
Space group: I -4 3 m
Cell volume: 1080.33
Cell parameters: 10.2609; 10.2609; 10.2609; 90; 90; 90;  

COD ID: 1573686
CIF file Formula: - C126 H160 K O6 -
Comments: Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A. Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion. Chemical science 16(7) (2025) 3211-3217
Space group: C m c 21
Cell volume: 11797.7
Cell parameters: 26.623; 12.2818; 36.081; 90; 90; 90;  

COD ID: 1573687
CIF file Formula: - C186 H270 N6 O25.5 Rb3 -
Comments: Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A. Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion. Chemical science 16(7) (2025) 3211-3217
Space group: P -1
Cell volume: 9161
Cell parameters: 14.192; 23.883; 28.136; 88.137; 80.21; 77.124;  

COD ID: 1573688
CIF file Formula: - C136 H170 O14.5 Rb2 -
Comments: Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A. Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion. Chemical science 16(7) (2025) 3211-3217
Space group: I 41/a :2
Cell volume: 53550.8
Cell parameters: 27.4995; 27.4995; 70.8136; 90; 90; 90;  

COD ID: 1573689
CIF file Formula: - C30 H29 B N2 O3 -
Comments: Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs. Chemical science 16(6) (2025) 2837-2842
Space group: P 1 21/n 1
Cell volume: 5715.2
Cell parameters: 11.04999; 23.491; 22.4123; 90; 100.772; 90;  

COD ID: 1573690
CIF file Formula: - C21 H34 I N O5 Si -
Comments: Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D. Chemical science 16(3) (2025) 1216-1221
Space group: P 21 21 21
Cell volume: 2486.42
Cell parameters: 8.9672; 14.2728; 19.4271; 90; 90; 90;  

COD ID: 1573691
CIF file Formula: - C24 H26 N2 O4 -
Comments: Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D. Chemical science 16(3) (2025) 1216-1221
Space group: P 1 21 1
Cell volume: 1026.9
Cell parameters: 11.95; 6.4623; 13.674; 90; 103.465; 90;  

COD ID: 1573692
CIF file Formula: - C24 H45 N O5 Si2 -
Comments: Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D. Chemical science 16(3) (2025) 1216-1221
Space group: P 1 21 1
Cell volume: 1428.81
Cell parameters: 6.8112; 9.0531; 23.2935; 90; 95.8682; 90;  

COD ID: 1573693
CIF file Formula: - C23 H35 I N O5 Si -
Comments: Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D. Chemical science 16(3) (2025) 1216-1221
Space group: P 21 21 2
Cell volume: 2668.8
Cell parameters: 8.5047; 46.069; 6.8117; 90; 90; 90;  

COD ID: 1573694
CIF file Formula: - C36 H50 N2 O12 -
Comments: Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D. Chemical science 16(3) (2025) 1216-1221
Space group: P 1 21 1
Cell volume: 1849.3
Cell parameters: 17.7153; 5.8663; 18.0482; 90; 99.613; 90;  

COD ID: 1573695
CIF file Formula: - C7 H9 Br2 N7 O Zn -
Comments: Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation. Chemical science 16(7) (2025) 3307-3312
Space group: I -4 3 m
Cell volume: 4717.66
Cell parameters: 16.77164; 16.77164; 16.77164; 90; 90; 90;  

COD ID: 1573696
CIF file Formula: - C10.96 H8.96 Br2 N6 Zn -
Comments: Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation. Chemical science 16(7) (2025) 3307-3312
Space group: I -4 3 m
Cell volume: 4717.88
Cell parameters: 16.7719; 16.7719; 16.7719; 90; 90; 90;  

COD ID: 1573697
CIF file Formula: - O7 S Te Ti -
Comments: Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect. Chemical science 16(7) (2025) 3329-3335
Space group: P 1 21 1
Cell volume: 261.25
Cell parameters: 4.9516; 7.6029; 7.1865; 90; 105.062; 90;  

COD ID: 1573703
CIF file Formula: - C72 H54 F3 N5 O4 S2 -
Comments: Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin Ruthenium-catalyzed C-H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials. Chemical science 16(7) (2025) 3107-3113
Space group: P -1
Cell volume: 3442.01
Cell parameters: 11.823; 13.6657; 23.0648; 100.582; 94.663; 108.17;  

COD ID: 1573704
CIF file Formula: - C21 H20 F3 N Zr -
Comments: Bonfante, Sara; Tanner, Theo F. N.; Lorber, Christian; Lynam, Jason M.; Simonneau, Antoine; Slattery, John M. Zirconium-mediated carbon-fluorine bond functionalisation through cyclohexyne "umpolung". Chemical science 16(8) (2025) 3552-3559
Space group: P 1 21/n 1
Cell volume: 1840.21
Cell parameters: 8.1766; 15.5546; 14.6671; 90; 99.429; 90;  

COD ID: 1573706
CIF file Formula: - C15 H15 N3 O S -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: P 1 21/n 1
Cell volume: 2882
Cell parameters: 9.889; 23.89; 12.335; 90; 98.52; 90;  

COD ID: 1573707
CIF file Formula: - C14 H13 N3 S -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: P -1
Cell volume: 631.4
Cell parameters: 5.9879; 10.235; 11.312; 66.744; 82.452; 86.562;  

COD ID: 1573708
CIF file Formula: - C14 H11 Cl2 N3 S -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: P -1
Cell volume: 710.4
Cell parameters: 7.866; 8.231; 11.963; 92.336; 96.812; 111.933;  

COD ID: 1573709
CIF file Formula: - C14 H14 N4 O S -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: P 21 21 21
Cell volume: 1407
Cell parameters: 6.643; 7.435; 28.49; 90; 90; 90;  

COD ID: 1573710
CIF file Formula: - C12 H11 N3 S2 -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: P -1
Cell volume: 609
Cell parameters: 5.689; 10.012; 11.393; 71.163; 82.543; 87.953;  

COD ID: 1573711
CIF file Formula: - C12 H11 N3 O S -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: P -1
Cell volume: 583.2
Cell parameters: 5.823; 9.744; 11.011; 70.013; 83.399; 88.167;  

COD ID: 1573712
CIF file Formula: - C14 H8 F5 N3 S -
Comments: Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. Chemical science 16(7) (2025) 3130-3140
Space group: C 1 2/c 1
Cell volume: 2828.5
Cell parameters: 28.98; 6.951; 14.974; 90; 110.329; 90;  

COD ID: 1573713
CIF file Formula: - C27 H19 F3 O2 Si -
Comments: Matsuo, Tomotoki; Sano, Masaki; Sumida, Yuto; Ohmiya, Hirohisa Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols. Chemical science 16(7) (2025) 3150-3156
Space group: P -1
Cell volume: 1086.3
Cell parameters: 8.589; 9.902; 14.679; 106.882; 94.204; 111.756;  

COD ID: 1573725
CIF file Formula: - C29 H17 N -
Comments: Maekawa, Takehisa; Itami, Kenichiro Rapid access to functionalized nanographenes through a palladium-catalyzed multi-annulation sequence. Chemical science 16(7) (2025) 3092-3098
Space group: P 1 21/n 1
Cell volume: 1802.89
Cell parameters: 10.4701; 8.8984; 19.622; 90; 99.531; 90;  

COD ID: 1573732
CIF file Formula: - C79 H80 B5 F24 N5 O2 Sn -
Comments: Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene. Chemical science 16(9) (2025) 4014-4022
Space group: P -1
Cell volume: 4136.1
Cell parameters: 15.245; 17.2704; 17.6243; 92.495; 102.397; 112.807;  

COD ID: 1573733
CIF file Formula: - C70.01 H61 B F24 N4 Sn -
Comments: Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene. Chemical science 16(9) (2025) 4014-4022
Space group: P -1
Cell volume: 3711.1
Cell parameters: 13.4232; 17.0569; 18.5469; 102.535; 101.839; 109.969;  

COD ID: 1573734
CIF file Formula: - C72 H61 B F24 N4 O4 Sn -
Comments: Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene. Chemical science 16(9) (2025) 4014-4022
Space group: P -1
Cell volume: 3579.7
Cell parameters: 10.4739; 16.089; 23.3384; 109.831; 92.107; 102.86;  

COD ID: 1573735
CIF file Formula: - C70 H86 Cl2 Cu6 F9 N7 O7 S4 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: P n m a
Cell volume: 16724.8
Cell parameters: 36.1356; 16.4719; 28.0985; 90; 90; 90;  

COD ID: 1573736
CIF file Formula: - C124 H178.5 Cu6 N18.5 O10.5 S4 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: P a -3
Cell volume: 29609.7
Cell parameters: 30.937; 30.937; 30.937; 90; 90; 90;  

COD ID: 1573737
CIF file Formula: - C82 H99 Cu7 F9 N15 O15 S4 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: C 1 2/c 1
Cell volume: 29651
Cell parameters: 40.186; 17.9336; 43.303; 90; 108.171; 90;  

COD ID: 1573738
CIF file Formula: - C3.21 H3.97 Cl0.49 Cu0.48 F0.57 N0.19 O0.38 S0.29 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: P -1
Cell volume: 2504.4
Cell parameters: 13.4577; 13.9427; 13.9994; 82.041; 82.058; 75.543;  

COD ID: 1573739
CIF file Formula: - C42.5 H48 Cl5 Cu6 F3 N4 O2 S8 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: I m m a
Cell volume: 9400.3
Cell parameters: 24.6205; 17.0084; 22.4482; 90; 90; 90;  

COD ID: 1573740
CIF file Formula: - C27 H37 Cl2 Cu5 F6 N4 O4 S3 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: P 1 21/c 1
Cell volume: 3984.4
Cell parameters: 13.9234; 11.9576; 23.9446; 90; 91.901; 90;  

COD ID: 1573741
CIF file Formula: - C2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: P 1 21/c 1
Cell volume: 5795
Cell parameters: 20.5359; 15.906; 18.1932; 90; 102.802; 90;  

COD ID: 1573742
CIF file Formula: - C50 H42 B2 N2 O2 -
Comments: Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046. Chemical science 16(8) (2025) 3655-3661
Space group: C 1 2/c 1
Cell volume: 3831
Cell parameters: 17.9182; 19.9055; 13.5411; 90; 127.513; 90;  

COD ID: 1573743
CIF file Formula: - C68 H62 B2 N2 O2 -
Comments: Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046. Chemical science 16(8) (2025) 3655-3661
Space group: P -1
Cell volume: 6079.5
Cell parameters: 16.4777; 19.3715; 19.7104; 82.656; 89.376; 77.021;  

COD ID: 1573744
CIF file Formula: - C312 H372 N36 O42 S24 Ti12 -
Comments: Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction Chemical Science 16(16) (2025) 6845-6852
Space group: P -1
Cell volume: 8393
Cell parameters: 20.926; 20.984; 21.932; 64.82; 76.693; 77.002;  

COD ID: 1573745
CIF file Formula: - C82 H90.68 Ag2 N O11 S8 Ti2 -
Comments: Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction Chemical Science 16(16) (2025) 6845-6852
Space group: I 1 2/m 1
Cell volume: 9100.5
Cell parameters: 16.0181; 18.7809; 30.2892; 90; 92.8776; 90;  

COD ID: 1573746
CIF file Formula: - C265.64 H306.46 Ag4.51 N12.82 O42.76 S24 Ti12 -
Comments: Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction Chemical Science 16(16) (2025) 6845-6852
Space group: P 1 21/n 1
Cell volume: 15437
Cell parameters: 21.329; 34.611; 23.413; 90; 116.73; 90;  

COD ID: 1573747
CIF file Formula: - C200 H221.72 Na O36 S20 Ti8 -
Comments: Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction Chemical Science 16(16) (2025) 6845-6852
Space group: P 1 21/c 1
Cell volume: 25950
Cell parameters: 33.1669; 21.7916; 35.921; 90; 91.759; 90;  

COD ID: 1573748
CIF file Formula: - C2.95 H5.9 In0.1 N0.29 O0.38 -
Comments: Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew Metal-ligand cooperativity enables zero-valent metal transfer. Chemical science 16(9) (2025) 3888-3894
Space group: P -1
Cell volume: 1706.07
Cell parameters: 11.919; 12.4961; 13.0349; 61.504; 89.234; 89.801;  

COD ID: 1573749
CIF file Formula: - C31 H62 Al N3 O4 -
Comments: Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew Metal-ligand cooperativity enables zero-valent metal transfer. Chemical science 16(9) (2025) 3888-3894
Space group: P -1
Cell volume: 1662.09
Cell parameters: 11.7623; 12.4407; 12.9344; 118.532; 91.442; 90.128;  

COD ID: 1573750
CIF file Formula: - C31 H62 Ga N3 O4 -
Comments: Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew Metal-ligand cooperativity enables zero-valent metal transfer. Chemical science 16(9) (2025) 3888-3894
Space group: P -1
Cell volume: 1664.01
Cell parameters: 11.7627; 12.4302; 12.9451; 118.425; 91.211; 90.139;  

COD ID: 1573751
CIF file Formula: - C18 H36 In2 N2 O2 -
Comments: Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew Metal-ligand cooperativity enables zero-valent metal transfer. Chemical science 16(9) (2025) 3888-3894
Space group: C m c e
Cell volume: 2136.9
Cell parameters: 12.4969; 9.4605; 18.0744; 90; 90; 90;  

COD ID: 1573752
CIF file Formula: - C27 H56 Ga N3 O3 -
Comments: Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew Metal-ligand cooperativity enables zero-valent metal transfer. Chemical science 16(9) (2025) 3888-3894
Space group: P 1 21/n 1
Cell volume: 2976.2
Cell parameters: 12.0657; 12.8632; 19.2485; 90; 94.979; 90;  

COD ID: 1573755
CIF file Formula: - C27 H31 N O2 -
Comments: Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines. Chemical science 16(10) (2025) 4442-4449
Space group: P 1 21/n 1
Cell volume: 2214.52
Cell parameters: 12.5383; 9.5231; 18.69; 90; 97.104; 90;  

COD ID: 1573756
CIF file Formula: - C27 H28 N2 O -
Comments: Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines. Chemical science 16(10) (2025) 4442-4449
Space group: C 1 c 1
Cell volume: 2264.04
Cell parameters: 13.8063; 17.9373; 9.9554; 90; 113.319; 90;  

COD ID: 1573757
CIF file Formula: - C3 H10 I3 N O Pb -
Comments: Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity. Chemical science 16(9) (2025) 4057-4065
Space group: P 21 21 21
Cell volume: 1173.75
Cell parameters: 4.5931; 11.6051; 22.0202; 90; 90; 90;  

COD ID: 1573758
CIF file Formula: - C3 H10 I3 N O Pb -
Comments: Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity. Chemical science 16(9) (2025) 4057-4065
Space group: P 21 21 21
Cell volume: 1171.62
Cell parameters: 4.5899; 11.5987; 22.0076; 90; 90; 90;  

COD ID: 1573759
CIF file Formula: - C21 H22 N2 O3 S -
Comments: Lai, Ze-Min; Xie, Ying; Huang, Le-Le; Guo, Jing; Lu, Gui Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor-acceptor complexes with nickel catalysis. Chemical science 16(10) (2025) 4352-4359
Space group: P 1 21/c 1
Cell volume: 1932.33
Cell parameters: 9.0752; 20.3258; 11.2289; 90; 111.107; 90;  

COD ID: 1573760
CIF file Formula: - C24 H25 I N2 O -
Comments: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. Chemical science 16(9) (2025) 3938-3945
Space group: P -1
Cell volume: 1092.57
Cell parameters: 8.6576; 11.4823; 11.8769; 70.882; 79.329; 82.137;  

COD ID: 1573761
CIF file Formula: - C28 H28 N2 O2 -
Comments: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. Chemical science 16(9) (2025) 3938-3945
Space group: P 1 21/c 1
Cell volume: 2277
Cell parameters: 8.3156; 15.8552; 17.6204; 90; 101.442; 90;  

COD ID: 1573762
CIF file Formula: - C30 H30 N2 O -
Comments: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. Chemical science 16(9) (2025) 3938-3945
Space group: P 1 21/c 1
Cell volume: 2409.55
Cell parameters: 11.85289; 23.3855; 8.96547; 90; 104.164; 90;  

COD ID: 1573763
CIF file Formula: - C29 H36 N2 O -
Comments: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. Chemical science 16(9) (2025) 3938-3945
Space group: P 1 21 1
Cell volume: 1221.81
Cell parameters: 8.7877; 13.2804; 10.4903; 90; 93.628; 90;  

COD ID: 1573764
CIF file Formula: - C25 H28 N2 O -
Comments: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. Chemical science 16(9) (2025) 3938-3945
Space group: P -1
Cell volume: 2030.78
Cell parameters: 9.0247; 13.2322; 18.6064; 100.728; 100.909; 105.883;  

COD ID: 1573765
CIF file Formula: - C30 H30 N2 O -
Comments: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. Chemical science 16(9) (2025) 3938-3945
Space group: P -1
Cell volume: 1194.85
Cell parameters: 9.0232; 10.8445; 12.5529; 95.795; 99.084; 96.98;  

COD ID: 1573766
CIF file Formula: - C20 H24 B10 O -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P -1
Cell volume: 2144.08
Cell parameters: 10.5221; 12.1599; 18.0206; 73.817; 78.768; 78.192;  

COD ID: 1573767
CIF file Formula: - C26 H24 B10 -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P -1
Cell volume: 4711.3
Cell parameters: 10.8412; 19.4475; 23.3896; 75.392; 80.868; 87.318;  

COD ID: 1573768
CIF file Formula: - C14 H18 B10 -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P 1 21/c 1
Cell volume: 1645.65
Cell parameters: 9.9506; 13.287; 12.6971; 90; 101.393; 90;  

COD ID: 1573769
CIF file Formula: - C13 H18 B10 O -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P 1 21/n 1
Cell volume: 1608.6
Cell parameters: 7.1385; 22.1234; 10.2306; 90; 95.391; 90;  

COD ID: 1573770
CIF file Formula: - C14 H18 B10 -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P 1 21/c 1
Cell volume: 3203.66
Cell parameters: 11.0634; 14.0548; 20.6273; 90; 92.773; 90;  

COD ID: 1573771
CIF file Formula: - C19 H20 B10 -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: C 1 2/c 1
Cell volume: 3852.8
Cell parameters: 24.0114; 8.3879; 19.3844; 90; 99.3; 90;  

COD ID: 1573772
CIF file Formula: - C18 H28 B10 Si -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P 1 21/n 1
Cell volume: 2168.33
Cell parameters: 10.7343; 15.469; 13.0999; 90; 94.563; 90;  

COD ID: 1573773
CIF file Formula: - C21 H24 B10 -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P b c a
Cell volume: 4163.39
Cell parameters: 17.6926; 7.5803; 31.0434; 90; 90; 90;  

COD ID: 1573774
CIF file Formula: - C26 H28 B10 O -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P 21 21 21
Cell volume: 2546.71
Cell parameters: 10.1324; 15.565; 16.148; 90; 90; 90;  

COD ID: 1573775
CIF file Formula: - C22 H20 B10 -
Comments: Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes. Chemical science 16(8) (2025) 3705-3712
Space group: P 1 21 1
Cell volume: 2160.99
Cell parameters: 7.4914; 17.9215; 16.097; 90; 90.673; 90;  


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