Crystallography Open Database

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Searching year of publication is 2025

COD ID: 1571675

CIF file

Formula: - C22 H27 N5 O4 S -
Comments: Rehman, Zainab; Lubay, Jairah; Franks, W. Trent; Bartók, Albert P; Corlett, Emily K.; Nguyen, Bao; Scrivens, Garry; Samas, Brian M.; Frericks-Schmidt, Heather; Brown, Steven P. Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls. Faraday discussions 255 (2025) 222-243
Space group: P 1 21 1
Cell volume: 1167.1
Cell parameters: 9.189; 12.6757; 10.9694; 90; 114.013; 90;

COD ID: 1571705

CIF file

Formula: - C9 H15 N2 O3.5 -
Comments: Ramalhete, Susana M.; Nartowski, Karol P.; Green, Hayley; Angulo, Jesús; Iuga, Dinu; Fábián, László; Lloyd, Gareth O.; Khimyak, Yaroslav Z. Probing assembly/disassembly of ordered molecular hydrogels. Faraday discussions 255 (2025) 495-519
Space group: P 1 21 1
Cell volume: 1017
Cell parameters: 5.9813; 11.3702; 14.985; 90; 93.681; 90;

COD ID: 1572649
CIF file	Formula: - Li12 Nb4 O16 - Comments: Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J. Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange. Faraday discussions 255 (2025) 429-450 Space group: C 1 2/m 1 Cell volume: 606.6 Cell parameters: 10.389; 11.9401; 5.201; 90; 109.899; 90;

COD ID: 1572650
CIF file	Formula: - Na12 Nb4 O16 - Comments: Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J. Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange. Faraday discussions 255 (2025) 429-450 Space group: C 1 2/m 1 Cell volume: 784.23 Cell parameters: 11.1218; 13.00203; 5.75288; 90; 109.49; 90;

COD ID: 1572651
CIF file	Formula: - Na12 Nb4 O16 - Comments: Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J. Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange. Faraday discussions 255 (2025) 429-450 Space group: C 1 2/m 1 Cell volume: 778.16 Cell parameters: 11.0923; 12.97113; 5.73501; 90; 109.429; 90;

COD ID: 1572652
CIF file	Formula: - Li12 Nb4 O16 - Comments: Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J. Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange. Faraday discussions 255 (2025) 429-450 Space group: C 1 2/m 1 Cell volume: 601 Cell parameters: 10.362; 11.9047; 5.179; 90; 109.83; 90;

COD ID: 1572854
CIF file HKL data	Formula: - C32 H34 N4 O9 S3 - Comments: Mulholland, Michael E.; Filiatrault, Heather L.; Maris, Thierry; Skene, W. G. Structural study of an electroactive allyl ester thiophenoazomethine for PDMS blending Journal of Molecular Structure 1320 (2025) 139416-1-139416-8 Space group: P -1 Cell volume: 1734.64 Cell parameters: 11.2834; 13.3905; 13.4806; 113.251; 105.083; 98.375;

COD ID: 1572930

CIF file

Formula: - C60 H72 N3 O3 Pd3 Se3 -
Comments: Sarkar, Prasenjit; Manamel, Litty Thomas; Saha, Puranjay; Jana, Chinmay; Sarmah, Amrit; Mohanan, Kannan Udaya; Das, Bikas C.; Mukherjee, Chandan A triradical-containing trinuclear Pd(II) complex: spin-polarized electronic transmission, analog resistive switching and neuromorphic advancements. Materials horizons 12(1) (2025) 246-257
Space group: P -1
Cell volume: 6099.4
Cell parameters: 14.0778; 15.5286; 31.7803; 79.873; 77.515; 64.584;

COD ID: 1572973

CIF file

Formula: - C20 H21 N O3 -
Comments: Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures. Materials horizons 12(1) (2025) 293-302
Space group: P -1
Cell volume: 828.51
Cell parameters: 9.2173; 9.4972; 9.5809; 88.263; 82.367; 85.479;

COD ID: 1572974

CIF file

Formula: - C20 H18 N2 O2 -
Comments: Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures. Materials horizons 12(1) (2025) 293-302
Space group: P -1
Cell volume: 769.83
Cell parameters: 6.633; 7.5002; 17.4918; 79.488; 81.308; 64.528;

COD ID: 1572975

CIF file

Formula: - C20 H18 N2 O2 -
Comments: Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures. Materials horizons 12(1) (2025) 293-302
Space group: P 1 21/c 1
Cell volume: 1633.24
Cell parameters: 11.443; 13.277; 10.8931; 90; 99.297; 90;

COD ID: 1572976

CIF file

Formula: - C20 H21 N O3 -
Comments: Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures. Materials horizons 12(1) (2025) 293-302
Space group: P 1 21/n 1
Cell volume: 1649
Cell parameters: 6.4917; 19.911; 12.759; 90; 90.73; 90;

COD ID: 1573032

CIF file

Formula: - C18 H20 O4 -
Comments: Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G. [Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates Polymer Chemistry 16(2) (2025) 133-148
Space group: P b c a
Cell volume: 1543.86
Cell parameters: 4.8827; 10.6999; 29.5508; 90; 90; 90;

COD ID: 1573033

CIF file

Formula: - C21 H22 O5 -
Comments: Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G. [Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates Polymer Chemistry 16(2) (2025) 133-148
Space group: C 1 2/c 1
Cell volume: 1801.46
Cell parameters: 15.9421; 8.679; 13.2926; 90; 101.624; 90;

COD ID: 1573034

CIF file

Formula: - C33 H33 N3 O6 -
Comments: Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G. [Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates Polymer Chemistry 16(2) (2025) 133-148
Space group: P 1 21/n 1
Cell volume: 2937.8
Cell parameters: 13.0353; 11.7214; 20.182; 90; 107.691; 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: 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: 1573171

CIF file

Formula: - C144 H84 Cu16 F54 N12 P3 S25 -
Comments: Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K. Analogous copper nanoclusters (Cu16/17) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters. Nanoscale 17(2) (2025) 982-991
Space group: R 3 c :H
Cell volume: 35281
Cell parameters: 24.815; 24.815; 66.157; 90; 90; 120;

COD ID: 1573172

CIF file

Formula: - C212 H172 Cl Cu16 F36 N12 O4 S25 -
Comments: Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K. Analogous copper nanoclusters (Cu16/17) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters. Nanoscale 17(2) (2025) 982-991
Space group: C 1 2/c 1
Cell volume: 23086
Cell parameters: 39.487; 20.216; 31.428; 90; 113.044; 90;

COD ID: 1573173

CIF file

Formula: - C163 H113 Cu17 F54 N13 O2 P3 S24 -
Comments: Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K. Analogous copper nanoclusters (Cu16/17) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters. Nanoscale 17(2) (2025) 982-991
Space group: R 3 c :H
Cell volume: 35658
Cell parameters: 24.8645; 24.8645; 66.598; 90; 90; 120;

COD ID: 1573192
CIF file Original IUCr paper	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1245.8 Cell parameters: 4.5384; 20.439; 13.531; 90; 97.006; 90;

COD ID: 1573193
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1078.8 Cell parameters: 4.2338; 19.838; 12.9059; 90; 95.613; 90;

COD ID: 1573194
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 992.2 Cell parameters: 3.5971; 21.658; 12.7908; 90; 95.339; 90;

COD ID: 1573195
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P -1 Cell volume: 948.4 Cell parameters: 3.4912; 12.687; 21.531; 91.51; 90.434; 95.82;

COD ID: 1573196
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P -1 Cell volume: 911.5 Cell parameters: 3.4134; 12.5674; 21.367; 91.675; 90.433; 95.755;

COD ID: 1573197
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P -1 Cell volume: 881.6 Cell parameters: 3.3501; 12.453; 21.244; 91.709; 90.417; 95.599;

COD ID: 1573198
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P -1 Cell volume: 855.3 Cell parameters: 3.2931; 12.347; 21.133; 91.42; 90.439; 95.29;

COD ID: 1573199
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P -1 Cell volume: 803.6 Cell parameters: 3.1883; 12.1605; 20.825; 91.99; 90.297; 95.206;

COD ID: 1573200
CIF file	Formula: - C20 H12 - Comments: Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural transformations and stability of benzo[a]pyrene under high pressure. IUCrJ 12(1) (2025) Space group: P -1 Cell volume: 763.4 Cell parameters: 3.1077; 11.995; 20.571; 91.56; 89.92; 95.171;

COD ID: 1573201
CIF file	Formula: - C20 H14 O2 - Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1352.42 Cell parameters: 7.1494; 10.9139; 17.7592; 90; 102.584; 90;

COD ID: 1573202
CIF file	Formula: - C20 H14 O2 - Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1360.48 Cell parameters: 7.17156; 10.9455; 17.7694; 90; 102.742; 90;

COD ID: 1573203
CIF file	Formula: - C20 H14 O2 - Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1370.01 Cell parameters: 7.1945; 10.9948; 17.7698; 90; 102.926; 90;

COD ID: 1573204
CIF file	Formula: - C20 H14 O2 - Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1384.7 Cell parameters: 7.2211; 11.0779; 17.7769; 90; 103.161; 90;

COD ID: 1573205
CIF file	Formula: - C20 H14 O2 - Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1403.2 Cell parameters: 7.2277; 11.248; 17.7562; 90; 103.578; 90;

COD ID: 1573206
CIF file	Formula: - C20 H14 O2 - Comments: Zwolenik, A.; Makal, A. Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. IUCrJ 12(1) (2025) Space group: P 1 21/c 1 Cell volume: 1422.71 Cell parameters: 7.2522; 11.4389; 17.705; 90; 104.385; 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 195Pt 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 195Pt 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 195Pt 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: 1573239

CIF file

Formula: - C40 H54 Ag6 F9 N5 O7 S3 -
Comments: Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi Designed construction of two new atom-precise three-dimensional and two-dimensional Ag12 cluster-assembled materials. Nanoscale 17(2) (2025) 813-822
Space group: P b c a
Cell volume: 11292
Cell parameters: 21.868; 22.557; 22.892; 90; 90; 90;

COD ID: 1573240

CIF file

Formula: - C18 H23 Ag2 F3 N O3.5 S -
Comments: Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi Designed construction of two new atom-precise three-dimensional and two-dimensional Ag12 cluster-assembled materials. Nanoscale 17(2) (2025) 813-822
Space group: R -3 :H
Cell volume: 11287.2
Cell parameters: 24.5604; 24.5604; 21.6065; 90; 90; 120;

COD ID: 1573241

CIF file

Formula: - C72 H86 O9 P4 Ru2 -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: C 1 2/c 1
Cell volume: 6800.72
Cell parameters: 13.34263; 22.71892; 22.67074; 90; 98.27; 90;

COD ID: 1573242

CIF file

Formula: - C59 H69 O6 P2 Ru -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P -1
Cell volume: 2545.56
Cell parameters: 13.32259; 13.34539; 17.15744; 103.497; 94.3216; 118.437;

COD ID: 1573243

CIF file

Formula: - C42 H34 O6 P2 Ru -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P -4 21 c
Cell volume: 3617.5
Cell parameters: 14.82724; 14.82724; 16.45463; 90; 90; 90;

COD ID: 1573244

CIF file

Formula: - C34 H38 P2 Ru -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: I 1 2/a 1
Cell volume: 5943.81
Cell parameters: 20.4141; 13.33648; 22.581; 90; 104.798; 90;

COD ID: 1573245

CIF file

Formula: - C41 H52 O6 P2 Ru -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P 1 21/n 1
Cell volume: 4021.72
Cell parameters: 11.0204; 20.042; 18.3864; 90; 97.977; 90;

COD ID: 1573246

CIF file

Formula: - C61 H52 Cl2 F12 O9 P4 Ru2 -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P 1 21/c 1
Cell volume: 6243
Cell parameters: 19.9752; 19.5957; 16.0602; 90; 96.739; 90;

COD ID: 1573247

CIF file

Formula: - C41 H36 O6 P2 Ru -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P b c a
Cell volume: 7143.97
Cell parameters: 17.3865; 18.59091; 22.10176; 90; 90; 90;

COD ID: 1573248

CIF file

Formula: - C338 H309 O41 P16 Ru8 -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P -1
Cell volume: 7505.2
Cell parameters: 14.1251; 23.585; 23.8891; 88.9659; 76.443; 76.138;

COD ID: 1573249

CIF file

Formula: - C99 H114 O10 P4 Ru2 -
Comments: Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis Catalysis Science & Technology 15(2) (2025) 355-375
Space group: P 1 21/n 1
Cell volume: 9777.8
Cell parameters: 13.8453; 24.5721; 29.3748; 90; 101.926; 90;

COD ID: 1573253

CIF file

Formula: - C27 H40 B2 Cu F8 N10 O2 -
Comments: Nowicka, Daria; Garbaczewski, Karol; Łuczak, Teresa; Forte, Giuseppe; Consiglio, Giuseppe; Kubicki, Maciej; Patroniak, Violetta; Gorczyński, Adam Application of a simple copper(II) complex compound as an epinephrine selective voltammetric sensor in the presence of uric acid under aqueous conditions. Dalton transactions (Cambridge, England : 2003) 54(3) (2025) 1000-1012
Space group: P 1 21/n 1
Cell volume: 3401.59
Cell parameters: 12.4491; 13.8403; 19.8972; 90; 97.153; 90;

COD ID: 1573257

CIF file

Formula: - C32 H60 N Ni S8 -
Comments: Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes. Nanoscale 17(3) (2025) 1350-1361
Space group: P 1 21/c 1
Cell volume: 3912
Cell parameters: 14.6673; 17.9434; 16.4154; 90; 115.109; 90;

COD ID: 1573258

CIF file

Formula: - C16 H24 Ni S8 -
Comments: Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes. Nanoscale 17(3) (2025) 1350-1361
Space group: P 41 21 2
Cell volume: 4462.15
Cell parameters: 14.6382; 14.6382; 20.8242; 90; 90; 90;

COD ID: 1573259

CIF file

Formula: - C16 H24 Ni S8 -
Comments: Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes. Nanoscale 17(3) (2025) 1350-1361
Space group: P 41 21 2
Cell volume: 4421.8
Cell parameters: 14.2738; 14.2738; 21.703; 90; 90; 90;

COD ID: 1573260

CIF file

Formula: - C16 H24 Pt S8 -
Comments: Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes. Nanoscale 17(3) (2025) 1350-1361
Space group: P 41 21 2
Cell volume: 4459.6
Cell parameters: 14.313; 14.313; 21.769; 90; 90; 90;

COD ID: 1573261

CIF file

Formula: - C16 H24 Pt S8 -
Comments: Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes. Nanoscale 17(3) (2025) 1350-1361
Space group: P 43 21 2
Cell volume: 4520.36
Cell parameters: 14.7208; 14.7208; 20.8598; 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: 1573283
CIF file	Formula: - C35 H21 N3 O - Comments: Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr π-Curved Blatter radicals: Blatter helicenes. Chemical communications (Cambridge, England) 61(3) (2025) 496-499 Space group: P 1 21/n 1 Cell volume: 2352.7 Cell parameters: 15.5452; 4.78961; 32.495; 90; 103.488; 90;

COD ID: 1573284
CIF file	Formula: - C27 H16 N3 O - Comments: Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr π-Curved Blatter radicals: Blatter helicenes. Chemical communications (Cambridge, England) 61(3) (2025) 496-499 Space group: R -3 :H Cell volume: 8353.3 Cell parameters: 43.189; 43.189; 5.1711; 90; 90; 120;

COD ID: 1573285
CIF file	Formula: - C35 H20 N3 O - Comments: Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr π-Curved Blatter radicals: Blatter helicenes. Chemical communications (Cambridge, England) 61(3) (2025) 496-499 Space group: P 1 21/c 1 Cell volume: 2358.42 Cell parameters: 21.3059; 11.4684; 9.6844; 90; 94.685; 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: 1573304

CIF file

Formula: - C36 H39 Au3 N6 -
Comments: Solea, Atena B.; Dermutas, Davide; Fadaei-Tirani, Farzaneh; Leanza, Luigi; Delle Piane, Massimo; Pavan, Giovanni M.; Severin, Kay Nano onions based on an amphiphilic Au3(pyrazolate)3 complex. Nanoscale 17(2) (2025) 1007-1012
Space group: P -1
Cell volume: 1643.84
Cell parameters: 5.92744; 13.7395; 20.7053; 79.4971; 83.0769; 85.9397;

COD ID: 1573306
CIF file	Formula: - C36 H31 N2 O0.5 - Comments: Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals. Materials horizons 12(5) (2025) 1524-1531 Space group: P 21 21 2 Cell volume: 2752.22 Cell parameters: 21.6586; 12.8689; 9.8744; 90; 90; 90;

COD ID: 1573307
CIF file	Formula: - C36 H30 N2 - Comments: Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals. Materials horizons 12(5) (2025) 1524-1531 Space group: P b c a Cell volume: 5151.4 Cell parameters: 15.9161; 17.8282; 18.1544; 90; 90; 90;

COD ID: 1573308

CIF file

Formula: - C39 H55 Cl N2 O2 P2 Ru -
Comments: Donnelly, Laurie J.; Gelfand, Benjamin S.; Piers, Warren E. Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands Catalysis Science & Technology 15(1) (2025) 100-106
Space group: P 1 21/c 1
Cell volume: 3794.1
Cell parameters: 10.6687; 15.5241; 22.9366; 90; 92.854; 90;

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 meta-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 meta-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: 1573311
CIF file	Formula: - C29 H20 Cl N - Comments: Chaturvedi, Anjali; Sharma, Vishal; Rawal, Ravindra K.; Singh, Manpreet; Singh, Virender Sustainable protocol for Cu-catalysed A<sup>3</sup>-coupling under solvent-free conditions. Organic & biomolecular chemistry 23(4) (2025) 854-863 Space group: P 1 21/n 1 Cell volume: 2145.5 Cell parameters: 13.644; 9.9782; 15.7628; 90; 91.274; 90;

COD ID: 1573312
CIF file	Formula: - C26 H32 O15 - Comments: Mo, Shuyuan; Huang, Zhihong; Zeng, Hanxiao; Wang, Jianping; Zhang, Yonghui; Hu, Zhengxi Penicichrysol A: an unprecedented polyketide produced by <i>Penicillium chrysogenum</i>. Organic & biomolecular chemistry 23(3) (2025) 608-613 Space group: P -1 Cell volume: 1312.31 Cell parameters: 7.3123; 8.6811; 22.3521; 80.512; 83.401; 69.983;

COD ID: 1573313
CIF file	Formula: - C18 H18 O8 - Comments: Mo, Shuyuan; Huang, Zhihong; Zeng, Hanxiao; Wang, Jianping; Zhang, Yonghui; Hu, Zhengxi Penicichrysol A: an unprecedented polyketide produced by <i>Penicillium chrysogenum</i>. Organic & biomolecular chemistry 23(3) (2025) 608-613 Space group: P 1 21/n 1 Cell volume: 1662.67 Cell parameters: 10.8884; 13.4388; 11.5204; 90; 99.491; 90;

COD ID: 1573348

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 439.98
Cell parameters: 8.1695; 10.658; 5.0531; 90; 90; 90;

COD ID: 1573349

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 457.54
Cell parameters: 8.35707; 10.714; 5.11006; 90; 90; 90;

COD ID: 1573350

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 438.29
Cell parameters: 8.1572; 10.64; 5.0499; 90; 90; 90;

COD ID: 1573351

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 429.5
Cell parameters: 8.0991; 10.54; 5.0319; 90; 90; 90;

COD ID: 1573352

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 440.5
Cell parameters: 8.1701; 10.6651; 5.0554; 90; 90; 90;

COD ID: 1573353

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 446.8
Cell parameters: 8.2334; 10.717; 5.0641; 90; 90; 90;

COD ID: 1573354

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 436.28
Cell parameters: 8.1412; 10.6227; 5.0448; 90; 90; 90;

COD ID: 1573355

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 437.85
Cell parameters: 8.1559; 10.636; 5.0475; 90; 90; 90;

COD ID: 1573356

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 440.9
Cell parameters: 8.1865; 10.67; 5.0479; 90; 90; 90;

COD ID: 1573357

CIF file

Formula: - O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 447.13
Cell parameters: 8.2501; 10.694; 5.06794; 90; 90; 90;

COD ID: 1573358

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 450.4
Cell parameters: 8.2846; 10.697; 5.0823; 90; 90; 90;

COD ID: 1573359

CIF file

Formula: - H0 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 429.08
Cell parameters: 8.0977; 10.5415; 5.0266; 90; 90; 90;

COD ID: 1573360

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 444.74
Cell parameters: 8.2199; 10.6921; 5.0603; 90; 90; 90;

COD ID: 1573361

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 435.86
Cell parameters: 8.1356; 10.6329; 5.0386; 90; 90; 90;

COD ID: 1573362

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 428.46
Cell parameters: 8.0899; 10.5425; 5.0237; 90; 90; 90;

COD ID: 1573363

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 453.66
Cell parameters: 8.31709; 10.706; 5.09489; 90; 90; 90;

COD ID: 1573364

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: I m m 2
Cell volume: 446.89
Cell parameters: 8.2502; 10.685; 5.0695; 90; 90; 90;

COD ID: 1573365

CIF file

Formula: - H4 O10 Si2 Zn4 -
Comments: Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof Incommensurately modulated structure of Zn4Si2O7(OH)2·H2O at high pressure. IUCrJ 12(1) (2025)
Space group: P n n 2
Cell volume: 443.53
Cell parameters: 8.2161; 10.673; 5.0579; 90; 90; 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: 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 sp2-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: 1573377

CIF file

Formula: - C24 H56 Cd Cl4 N2 -
Comments: Xu, Ou; Peng, Hui; Wei, Qilin; Kong, Linghang; Wang, Xiao; Zhang, Heng; Zhao, Jialong; Zou, Bingsuo Large-scale preparation of Sb3+-activated hybrid metal halides with efficient tunable emission from visible to near-infrared regions for advanced photonic applications. Materials horizons 12(5) (2025) 1596-1608
Space group: C 1 2/c 1
Cell volume: 6464.2
Cell parameters: 32.768; 13.9365; 15.0048; 90; 109.374; 90;

COD ID: 1573378

CIF file

Formula: - C24 H56 Br4 Cd N2 -
Comments: Xu, Ou; Peng, Hui; Wei, Qilin; Kong, Linghang; Wang, Xiao; Zhang, Heng; Zhao, Jialong; Zou, Bingsuo Large-scale preparation of Sb3+-activated hybrid metal halides with efficient tunable emission from visible to near-infrared regions for advanced photonic applications. Materials horizons 12(5) (2025) 1596-1608
Space group: C 1 2/c 1
Cell volume: 6730
Cell parameters: 33.373; 14.437; 14.999; 90; 111.357; 90;

COD ID: 1573381

CIF file

Formula: - C22 H29 Al N O4 -
Comments: Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects. Dalton transactions (Cambridge, England : 2003) 54(2) (2025) 511-532
Space group: P -1
Cell volume: 1014.5
Cell parameters: 7.0781; 11.3798; 12.8321; 79.573; 86.427; 88.799;

COD ID: 1573382

CIF file

Formula: - C23 H31 Al Br2 N2 O3 -
Comments: Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects. Dalton transactions (Cambridge, England : 2003) 54(2) (2025) 511-532
Space group: P 1 21/c 1
Cell volume: 2422.64
Cell parameters: 17.3914; 10.0911; 14.2716; 90; 104.702; 90;

COD ID: 1573383

CIF file

Formula: - C18 H30 Al N O2 -
Comments: Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects. Dalton transactions (Cambridge, England : 2003) 54(2) (2025) 511-532
Space group: P n a 21
Cell volume: 1857.94
Cell parameters: 19.0286; 8.4573; 11.545; 90; 90; 90;

COD ID: 1573384

CIF file

Formula: - C40 H56 Al Cl O3 -
Comments: Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects. Dalton transactions (Cambridge, England : 2003) 54(2) (2025) 511-532
Space group: P b c a
Cell volume: 7536.8
Cell parameters: 10.6759; 17.5313; 40.2687; 90; 90; 90;

COD ID: 1573385

CIF file

Formula: - C39 H56 Al N O7 -
Comments: Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects. Dalton transactions (Cambridge, England : 2003) 54(2) (2025) 511-532
Space group: P b c a
Cell volume: 7361.6
Cell parameters: 14.5245; 19.871; 25.5065; 90; 90; 90;

COD ID: 1573388

CIF file

Formula: - C74 H172 Ag16 Cl4 O24 P12 Pd S26 -
Comments: Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W. Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters. Nanoscale 17(4) (2025) 1990-1996
Space group: P 1 21/n 1
Cell volume: 7442.5
Cell parameters: 18.2605; 21.6169; 18.9717; 90; 96.372; 90;

COD ID: 1573389

CIF file

Formula: - C96 H216 Ag16 O24 P12 Pd S26 -
Comments: Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W. Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters. Nanoscale 17(4) (2025) 1990-1996
Space group: P c c n
Cell volume: 16723
Cell parameters: 26.454; 27.073; 23.35; 90; 90; 90;

COD ID: 1573390

CIF file

Formula: - C96 H216 Ag14 O24 P12 Pd6 S25 -
Comments: Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W. Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters. Nanoscale 17(4) (2025) 1990-1996
Space group: P -1
Cell volume: 4200
Cell parameters: 15.605; 18.06; 18.102; 119.776; 93.951; 103.556;

COD ID: 1573391

CIF file

Formula: - C87 H81 B Cu F4 N4 O2.5 P2 -
Comments: Wang, Xinwei; Li, Weijun; Li, Xiao; Hou, Chenlu; Wei, Sanyue; Lei, Wenxin; Chen, Xu-Lin TADF-emitting copper(i) and silver(i) complexes featuring intra-ligand charge transfer based on a donor–acceptor–donor ligand New Journal of Chemistry 49(3) (2025) 755-760
Space group: C 1 2/c 1
Cell volume: 14640
Cell parameters: 19.927; 21.694; 34.974; 90; 104.466; 90;

COD ID: 1573392

CIF file

Formula: - C85 H76 Ag B F4 N4 O2 P2 -
Comments: Wang, Xinwei; Li, Weijun; Li, Xiao; Hou, Chenlu; Wei, Sanyue; Lei, Wenxin; Chen, Xu-Lin TADF-emitting copper(i) and silver(i) complexes featuring intra-ligand charge transfer based on a donor–acceptor–donor ligand New Journal of Chemistry 49(3) (2025) 755-760
Space group: P -1
Cell volume: 14916.9
Cell parameters: 19.2498; 25.6897; 31.4864; 77.9013; 78.6755; 89.8003;

COD ID: 1573393

CIF file

Formula: - C9 H7 N7 O5 -
Comments: Cai, Ziwu; Shi, Junhao; Yu, Qian; Jiang, Tianyu; Zhang, Wenquan 4-Amino-1,2,3-triazine 2-oxide: a promising structural unit for the design and synthesis of novel energetic materials with good thermal stability and low impact sensitivity New Journal of Chemistry 49(1) (2025) 302-310
Space group: P 1 21/c 1
Cell volume: 1296.5
Cell parameters: 10.556; 5.7279; 21.606; 90; 97.049; 90;

COD ID: 1573394

CIF file

Formula: - C7 H5 N7 O5 -
Comments: Cai, Ziwu; Shi, Junhao; Yu, Qian; Jiang, Tianyu; Zhang, Wenquan 4-Amino-1,2,3-triazine 2-oxide: a promising structural unit for the design and synthesis of novel energetic materials with good thermal stability and low impact sensitivity New Journal of Chemistry 49(1) (2025) 302-310
Space group: P 21 21 21
Cell volume: 945.5
Cell parameters: 5.8169; 10.8115; 15.0344; 90; 90; 90;

COD ID: 1573395
CIF file	Formula: - C14 H13 N O - Comments: Qin, Chang-Qing; Liu, Xin-Ni; Gu, Man-Zhen; Xu, Yi-Bing; Chen, Guo-Shu; Liu, Yun-Lin DBU-mediated synthesis of amides from carbodiimides and unstrained 1,3-diketones New Journal of Chemistry 49(2) (2025) 366-370 Space group: P b c a Cell volume: 2274.6 Cell parameters: 9.1158; 9.8374; 25.365; 90; 90; 90;

COD ID: 1573396

CIF file

Formula: - C14 H13 N3 O2 -
Comments: Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A. Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials. Polymer chemistry 16(3) (2025) 290-300
Space group: P b c a
Cell volume: 2525.68
Cell parameters: 9.9581; 9.1704; 27.6575; 90; 90; 90;

COD ID: 1573397

CIF file

Formula: - C15 H13 N3 O3 -
Comments: Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A. Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials. Polymer chemistry 16(3) (2025) 290-300
Space group: P 1 21/c 1
Cell volume: 2787.7
Cell parameters: 9.7633; 27.5437; 10.4855; 90; 98.644; 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: 1573417

CIF file

Formula: - C18 H20 Cl N O Pd Se -
Comments: Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes) Catalysis Science & Technology 15(2) (2025) 523-536
Space group: P -1
Cell volume: 1762.29
Cell parameters: 9.2684; 13.6019; 14.1589; 86.53; 85.322; 82.685;

COD ID: 1573418

CIF file

Formula: - C24 H26 Cl N O Pd Se -
Comments: Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes) Catalysis Science & Technology 15(2) (2025) 523-536
Space group: P 1 21/c 1
Cell volume: 2182.2
Cell parameters: 6.7272; 20.8455; 15.5747; 90; 92.371; 90;

COD ID: 1573419

CIF file

Formula: - C92 H94 Cl4 N5 O12 -
Comments: Gao, Ke; Lee, Sang Hyuk; Zhao, Wenkai; Ahn, Jaeyong; Kim, Tae Woo; Li, Zhenping; Zhuo, Huagui; Wang, Zhiwei; Zheng, Xinglong; Yan, Yang; Chang, Gang; Ma, Wei; Zhang, Mingming; Long, Guankui; Oh, Joon Hak; Shang, Xiaobo Reversal of chirality in solutions and aggregates of chiral tetrachlorinated diperylene diimides towards efficient circularly polarized light detection. Materials horizons 12(6) (2025) 1903-1912
Space group: P 1
Cell volume: 4022.1
Cell parameters: 14.924; 15.705; 17.535; 89.652; 88.476; 78.232;

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-m-benziporphyrin: a subcarbaporphyrinoid and its BIII 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-m-benziporphyrin: a subcarbaporphyrinoid and its BIII 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-m-benziporphyrin: a subcarbaporphyrinoid and its BIII 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-m-benziporphyrin: a subcarbaporphyrinoid and its BIII 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-m-benziporphyrin: a subcarbaporphyrinoid and its BIII 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-m-benziporphyrin: a subcarbaporphyrinoid and its BIII 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: 1573436
CIF file	Formula: - C20 H27 Br Co N3 O5 - Comments: Sahoo, Sangita; Pandey, Vipin K.; Barik, Jogendrananda; Rit, Arnab Cobalt–NHC promoted selective functionalization of alkynes via auxiliary-ligand modulation Catalysis Science & Technology 15(3) (2025) 734-740 Space group: P 1 21/c 1 Cell volume: 2295.1 Cell parameters: 9.5864; 13.892; 17.545; 90; 100.802; 90;

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-b]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-b]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-b]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-b]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-b]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-b]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-b]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 [Zn9] to a record-high [Zn54] 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 [Zn9] to a record-high [Zn54] 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 [Zn9] to a record-high [Zn54] 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: 1573452

CIF file

Formula: - C18 H30 Co2 Mo8 N14 O34 -
Comments: Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties. Dalton transactions (Cambridge, England : 2003) 54(3) (2025) 903-907
Space group: P b c a
Cell volume: 4560.8
Cell parameters: 15.5814; 16.4046; 17.843; 90; 90; 90;

COD ID: 1573453

CIF file

Formula: - C18 H30 Mo8 N14 O34 Zn2 -
Comments: Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties. Dalton transactions (Cambridge, England : 2003) 54(3) (2025) 903-907
Space group: P b c a
Cell volume: 4581.6
Cell parameters: 15.5823; 16.4405; 17.8841; 90; 90; 90;

COD ID: 1573454

CIF file

Formula: - C18 H30 Mo8 N14 Ni2 O34 -
Comments: Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties. Dalton transactions (Cambridge, England : 2003) 54(3) (2025) 903-907
Space group: P b c a
Cell volume: 4535.2
Cell parameters: 15.7082; 16.2936; 17.7195; 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 via 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 via [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 via [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 via [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 via [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 via [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 via [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 via [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 via [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 via photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with gem-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 via photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with gem-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 PdII-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 PdII-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 PdII-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: 1573469

CIF file

Formula: - C24 H21 Ag2 Cl3 F12 N12 P2 -
Comments: Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar Silver-purine MOFs for high-performance multi-terminal neuromorphic memory. Materials horizons 12(7) (2025) 2208-2222
Space group: P -1
Cell volume: 1744.9
Cell parameters: 8.0608; 14.5789; 16.1846; 72.495; 82.655; 74.413;

COD ID: 1573470

CIF file

Formula: - C6 H5 Ag Cl F6 N4 Sb -
Comments: Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar Silver-purine MOFs for high-performance multi-terminal neuromorphic memory. Materials horizons 12(7) (2025) 2208-2222
Space group: P 1 21/c 1
Cell volume: 1268.57
Cell parameters: 12.0279; 8.6719; 12.8186; 90; 108.416; 90;

COD ID: 1573471

CIF file

Formula: - C6 H5 Ag Cl F6 N4 P -
Comments: Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar Silver-purine MOFs for high-performance multi-terminal neuromorphic memory. Materials horizons 12(7) (2025) 2208-2222
Space group: P 1 21/c 1
Cell volume: 1202.7
Cell parameters: 11.9676; 8.4366; 12.5599; 90; 108.484; 90;

COD ID: 1573472

CIF file

Formula: - C24 H21 Ag2 Cl3 F12 N12 Sb2 -
Comments: Panda, Subhra Jyoti; Khator, Kanha Ram; Deswal, Priyanka; Nayak, Shashwat; Pandey, Durgesh; Patel, Suraj K.; Agrawalla, Suraj Kumar; Ghosh, Dibyajyoti; Senanayak, Satyaprasad P.; Purohit, Chandra Shekhar Silver-purine MOFs for high-performance multi-terminal neuromorphic memory. Materials horizons 12(7) (2025) 2208-2222
Space group: P 1 21/c 1
Cell volume: 3688.5
Cell parameters: 16.2142; 17.5601; 13.5028; 90; 106.381; 90;

COD ID: 1573473

CIF file

Formula: - C11 H11 Cl2 N3 O2 Pd -
Comments: Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands. Catalysis science & technology 15(3) (2025) 867-877
Space group: I 1 2/a 1
Cell volume: 2824.1
Cell parameters: 19.6202; 9.6407; 14.9332; 90; 91.131; 90;

COD ID: 1573474

CIF file

Formula: - C19 H20 Cl2 N4 O Pd -
Comments: Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands. Catalysis science & technology 15(3) (2025) 867-877
Space group: P 1 21/n 1
Cell volume: 1979.42
Cell parameters: 11.62997; 14.78476; 11.92053; 90; 105.047; 90;

COD ID: 1573475

CIF file

Formula: - C14 H18 Cl2 N4 O Pd -
Comments: Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands. Catalysis science & technology 15(3) (2025) 867-877
Space group: P 21 21 21
Cell volume: 1736.7
Cell parameters: 8.91557; 10.26115; 18.9836; 90; 90; 90;

COD ID: 1573476

CIF file

Formula: - C12 H14 Cl2 N4 O Pd -
Comments: Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands. Catalysis science & technology 15(3) (2025) 867-877
Space group: P c c n
Cell volume: 3556.4
Cell parameters: 10.9705; 23.0363; 14.0725; 90; 90; 90;

COD ID: 1573477
CIF file Original IUCr paper	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1454.24 Cell parameters: 16.6633; 4.7294; 19.6488; 90; 110.091; 90;

COD ID: 1573478
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1460.01 Cell parameters: 16.6728; 4.7388; 19.668; 90; 110.024; 90;

COD ID: 1573479
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1459.75 Cell parameters: 16.6842; 4.7293; 19.692; 90; 110.036; 90;

COD ID: 1573480
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1461.02 Cell parameters: 16.6876; 4.7329; 19.6859; 90; 110.002; 90;

COD ID: 1573481
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1462.37 Cell parameters: 16.6834; 4.7362; 19.6927; 90; 109.981; 90;

COD ID: 1573482
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1464.54 Cell parameters: 16.6852; 4.7457; 19.6763; 90; 109.949; 90;

COD ID: 1573483
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1462.91 Cell parameters: 16.6821; 4.7392; 19.6849; 90; 109.948; 90;

COD ID: 1573484
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1464.21 Cell parameters: 16.6868; 4.7394; 19.6945; 90; 109.936; 90;

COD ID: 1573485
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1464.84 Cell parameters: 16.6819; 4.7422; 19.6945; 90; 109.915; 90;

COD ID: 1573486
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1466.65 Cell parameters: 16.6847; 4.7475; 19.6847; 90; 109.844; 90;

COD ID: 1573487
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1467.6 Cell parameters: 16.6837; 4.75; 19.6845; 90; 109.814; 90;

COD ID: 1573488
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1468.03 Cell parameters: 16.6837; 4.7513; 19.6812; 90; 109.784; 90;

COD ID: 1573489
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1469.11 Cell parameters: 16.68; 4.7547; 19.6846; 90; 109.773; 90;

COD ID: 1573490
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1470.09 Cell parameters: 16.6841; 4.7564; 19.6818; 90; 109.74; 90;

COD ID: 1573491
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1472.07 Cell parameters: 16.6798; 4.7618; 19.6808; 90; 109.657; 90;

COD ID: 1573492
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1474.01 Cell parameters: 16.684; 4.7634; 19.6972; 90; 109.674; 90;

COD ID: 1573493
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1484.62 Cell parameters: 16.6906; 4.7903; 19.6824; 90; 109.367; 90;

COD ID: 1573494
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1494.53 Cell parameters: 16.692; 4.8145; 19.6756; 90; 109.059; 90;

COD ID: 1573495
CIF file	Formula: - C16 H16 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1494.62 Cell parameters: 16.6911; 4.8164; 19.6669; 90; 109.032; 90;

COD ID: 1573496
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1429 Cell parameters: 16.6; 4.7781; 19.218; 90; 110.32; 90;

COD ID: 1573497
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1401 Cell parameters: 16.56; 4.7226; 19.187; 90; 110.99; 90;

COD ID: 1573498
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1466.51 Cell parameters: 16.6147; 4.8463; 19.3274; 90; 109.551; 90;

COD ID: 1573499
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1473.05 Cell parameters: 16.6128; 4.8607; 19.3367; 90; 109.37; 90;

COD ID: 1573500
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1356 Cell parameters: 16.55; 4.6266; 19.089; 90; 111.96; 90;

COD ID: 1573501
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1474.07 Cell parameters: 16.6153; 4.8619; 19.34; 90; 109.35; 90;

COD ID: 1573502
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1475.05 Cell parameters: 16.6155; 4.8646; 19.3384; 90; 109.321; 90;

COD ID: 1573503
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1476.3 Cell parameters: 16.6252; 4.8647; 19.3379; 90; 109.278; 90;

COD ID: 1573504
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1476.25 Cell parameters: 16.6176; 4.8671; 19.3394; 90; 109.301; 90;

COD ID: 1573505
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1477.11 Cell parameters: 16.6174; 4.8695; 19.3375; 90; 109.268; 90;

COD ID: 1573506
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1478.23 Cell parameters: 16.6187; 4.872; 19.3377; 90; 109.242; 90;

COD ID: 1573507
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1479.25 Cell parameters: 16.6197; 4.8747; 19.3362; 90; 109.217; 90;

COD ID: 1573508
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1480.54 Cell parameters: 16.6216; 4.877; 19.3388; 90; 109.193; 90;

COD ID: 1573509
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1481.86 Cell parameters: 16.6256; 4.8792; 19.3393; 90; 109.164; 90;

COD ID: 1573510
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1482.75 Cell parameters: 16.6268; 4.881; 19.3397; 90; 109.141; 90;

COD ID: 1573511
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1483.73 Cell parameters: 16.6279; 4.8825; 19.3411; 90; 109.105; 90;

COD ID: 1573512
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1326.8 Cell parameters: 16.53; 4.5612; 19.065; 90; 112.63; 90;

COD ID: 1573513
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1486.16 Cell parameters: 16.6313; 4.8871; 19.3441; 90; 109.05; 90;

COD ID: 1573514
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1487.7 Cell parameters: 16.6408; 4.8878; 19.3501; 90; 109.048; 90;

COD ID: 1573515
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1306 Cell parameters: 16.48; 4.5205; 19.083; 90; 113.24; 90;

COD ID: 1573516
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1497 Cell parameters: 16.6494; 4.9069; 19.3575; 90; 108.812; 90;

COD ID: 1573517
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1288.8 Cell parameters: 16.469; 4.4857; 19.042; 90; 113.63; 90;

COD ID: 1573518
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1286.8 Cell parameters: 16.462; 4.4828; 19.038; 90; 113.66; 90;

COD ID: 1573519
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1280.1 Cell parameters: 16.446; 4.46879; 19.038; 90; 113.81; 90;

COD ID: 1573520
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1280 Cell parameters: 16.33; 4.4824; 19.06; 90; 113.4; 90;

COD ID: 1573521
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1508.63 Cell parameters: 16.6688; 4.9269; 19.3733; 90; 108.522; 90;

COD ID: 1573522
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1508.7 Cell parameters: 16.661; 4.9284; 19.3767; 90; 108.52; 90;

COD ID: 1573523
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1259 Cell parameters: 16.429; 4.4214; 19.02; 90; 114.32; 90;

COD ID: 1573524
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1257 Cell parameters: 16.44; 4.4104; 18.97; 90; 114; 90;

COD ID: 1573525
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1246 Cell parameters: 16.46; 4.3839; 18.94; 90; 114.3; 90;

COD ID: 1573526
CIF file	Formula: - C16 H18 N2 O4 - Comments: Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals. IUCrJ 12(1) (2025) Space group: I 1 2/a 1 Cell volume: 1509.1 Cell parameters: 16.6711; 4.9272; 19.3744; 90; 108.512; 90;

COD ID: 1573527

CIF file

Formula: - C16 H21 Cl2 O2 P S -
Comments: Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp3-carbon and gold nanolayers. Nanoscale 17(7) (2025) 4123-4131
Space group: P 1 21/n 1
Cell volume: 1716.23
Cell parameters: 6.6911; 21.7491; 12.1069; 90; 103.068; 90;

COD ID: 1573528

CIF file

Formula: - C14 H21 P S -
Comments: Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp3-carbon and gold nanolayers. Nanoscale 17(7) (2025) 4123-4131
Space group: P 1 21/c 1
Cell volume: 1289.08
Cell parameters: 7.7405; 13.6302; 12.6387; 90; 104.82; 90;

COD ID: 1573529

CIF file

Formula: - Al2 Ca H6 O13 Si3 -
Comments: Tajiri, Hiroo; Kohara, Shinji; Kimura, Koji; Halubai, Sekhar; Morimoto, Haruto; Happo, Naohisa; Stellhorn, Jens R.; Onodera, Yohei; Qiao, Xvsheng; Urushihara, Daisuke; Hu, Peidong; Wakihara, Toru; Kinoshita, Toyohiko; Hayashi, Koichi Diffractometer for element-specific analysis on local structures using a combination of X-ray fluorescence holography and anomalous X-ray scattering. Journal of synchrotron radiation 32(1) (2025) 125-132
Space group: C 1 c 1
Cell volume: 1145.79
Cell parameters: 6.5252; 18.9769; 9.7779; 90; 108.857; 90;

COD ID: 1573535

CIF file

Original IUCr paper

Formula: - C30 H41 La2 N10 O18.5 -
Comments: Ndiaye-Gueye, Mbossé; Traoré, Bocar; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Wenger, Emmanuel; Sall, Abdou Salam; Lecomte, Claude; Gaye, Mohamed Acta Crystallographica, Section E: Crystallographic Communications 81(1) (2025) 85-89
Space group: P 1 21/c 1
Cell volume: 2135.7
Cell parameters: 11.117; 17.8366; 11.8094; 90; 114.213; 90;

COD ID: 1573538
CIF file Original IUCr paper	Formula: - C9 H10 N4 O2 - Comments: Boutheina, Boualia; Zakaria, Bouhidel; Cherouana, Aouatef; El-Eulmi, Bendeif Acta Crystallographica, Section E: Crystallographic Communications 81(1) (2025) 80-84 Space group: P 1 21/c 1 Cell volume: 913.5 Cell parameters: 3.7638; 9.286; 26.194; 90; 93.786; 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 gem-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: 1573544

CIF file

Formula: - C11 H21 B O3 S -
Comments: Kumar, Ashok; Gupta, Rohit; Subramaniyan, Vasudevan; Mani, Ganesan DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either formoxy- or methoxyborane under mild conditions and C-methylenation of indoles Catalysis Science & Technology 15(3) (2025) 678-688
Space group: P 1 21/c 1
Cell volume: 1286.9
Cell parameters: 13.0315; 6.515; 15.334; 90; 98.689; 90;

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 O-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 O-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 O-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;

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