Crystallography Open Database

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Searching journal of publication like 'CrystEngComm' volume of publication is 28

COD ID: 7251056
CIF file Formula: - C16 H12 N2 O2 -
Comments: Constantin, Ana M.; Mele, Francesco; Botla, Vinayak; Ca', Nicola Della; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie M.; Cauzzi, Daniele; Pancrazzi, Francesco; Mazzeo, Paolo P. A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement CrystEngComm 28(13) (2026) 2029-2035
Space group: P 1 21/c 1
Cell volume: 2527
Cell parameters: 14.5096; 17.8805; 10.3906; 90; 110.379; 90;  

COD ID: 7251057
CIF file Formula: - C17 H14 N2 O2 -
Comments: Constantin, Ana M.; Mele, Francesco; Botla, Vinayak; Ca', Nicola Della; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie M.; Cauzzi, Daniele; Pancrazzi, Francesco; Mazzeo, Paolo P. A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement CrystEngComm 28(13) (2026) 2029-2035
Space group: P 1 21/c 1
Cell volume: 1372.3
Cell parameters: 11.954; 7.454; 15.468; 90; 95.33; 90;  

COD ID: 7251080
CIF file Formula: - C10 H3 F5 S -
Comments: Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm 28(2) (2026) 390-395
Space group: P -1
Cell volume: 916.94
Cell parameters: 6.4378; 7.2041; 19.8873; 94.374; 90.518; 94.324;  

COD ID: 7251081
CIF file Formula: - C19 H23 F5 S Si -
Comments: Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm 28(2) (2026) 390-395
Space group: P 1 21/n 1
Cell volume: 1973.78
Cell parameters: 8.5617; 19.8126; 11.6723; 90; 94.529; 90;  

COD ID: 7251082
CIF file Formula: - C13 H11 F5 S Si -
Comments: Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm 28(2) (2026) 390-395
Space group: P c a 21
Cell volume: 2827.5
Cell parameters: 30.7633; 6.8541; 13.4097; 90; 90; 90;  

COD ID: 7251083
CIF file Formula: - C16 H17 F5 S Si -
Comments: Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene CrystEngComm 28(2) (2026) 390-395
Space group: P -1
Cell volume: 840.72
Cell parameters: 7.453; 7.5747; 17.1723; 85.62; 80.227; 61.642;  

COD ID: 7251237
CIF file Formula: - C16 H25 N19 O14 -
Comments: Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua Synthesis of energetic materials derived from hydroxynitropyrazine CrystEngComm 28(1) (2026) 163-168
Space group: P -1
Cell volume: 698.33
Cell parameters: 4.8568; 7.9049; 18.9454; 79.632; 87.383; 77.432;  

COD ID: 7251238
CIF file Formula: - C4 H9 Li N4 Na O11 -
Comments: Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua Synthesis of energetic materials derived from hydroxynitropyrazine CrystEngComm 28(1) (2026) 163-168
Space group: P -1
Cell volume: 584.7
Cell parameters: 7.8258; 8.446; 10.152; 90.324; 100.963; 116.811;  

COD ID: 7251239
CIF file Formula: - C20 H15 K9 N20 O38 -
Comments: Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua Synthesis of energetic materials derived from hydroxynitropyrazine CrystEngComm 28(1) (2026) 163-168
Space group: P -1
Cell volume: 2338.63
Cell parameters: 8.3085; 16.2606; 18.1267; 73.099; 88.41; 86.483;  

COD ID: 7251248
CIF file Formula: - Ca8.61 Cd0.69 La0.82 O28 P7 -
Comments: Sipina, Elena V.; Zhukovskaya, Evgeniya S.; Morozov, Vladimir A.; Stefanovich, Sergey Yu.; Grebenev, Vadim V.; Belik, Alexei A.; Lazoryak, Bogdan I.; Deyneko, Dina V. β-Ca3(PO4)2-related structure and dielectric properties of Ca8CdLa(PO4)7 CrystEngComm 28(1) (2026) 143-151
Space group: R 3 c :H
Cell volume: 3547.84
Cell parameters: 10.4631; 10.4631; 37.42078; 90; 90; 120;  

COD ID: 7251435
CIF file Formula: - C36 H33 Cl Cu N3 O4 P2 -
Comments: Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin Tricolor reversible luminescence switching of a mechano-/vapo-chromic mononuclear Cu(i) complex CrystEngComm 28(12) (2026) 1877-1882
Space group: P 1 21/n 1
Cell volume: 3426.9
Cell parameters: 13.1077; 19.8491; 13.2457; 90; 96.073; 90;  

COD ID: 7251436
CIF file Formula: - C39 H39 Cl Cu N3 O5 P2 -
Comments: Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin Tricolor reversible luminescence switching of a mechano-/vapo-chromic mononuclear Cu(i) complex CrystEngComm 28(12) (2026) 1877-1882
Space group: I 1 2/a 1
Cell volume: 7828.9
Cell parameters: 20.8314; 17.0911; 22.858; 90; 105.845; 90;  

COD ID: 7251437
CIF file Formula: - C14 H8 N2 O8 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P -1
Cell volume: 325.71
Cell parameters: 5.074; 5.261; 12.385; 90.1; 97.94; 95.82;  

COD ID: 7251438
CIF file Formula: - C18.33 H19.09 Mn N3.44 O10.94 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: C 1 2/c 1
Cell volume: 4346.5
Cell parameters: 31.934; 4.75; 29.072; 90; 99.72; 90;  

COD ID: 7251439
CIF file Formula: - C20 H20 Ca N4 O10 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P 1 21/c 1
Cell volume: 2286
Cell parameters: 13.425; 17.687; 9.629; 90; 91.03; 90;  

COD ID: 7251440
CIF file Formula: - C16 H14 N2 O9 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: C 1 2 1
Cell volume: 1649.07
Cell parameters: 20.7529; 5.6389; 16.0661; 90; 118.704; 90;  

COD ID: 7251441
CIF file Formula: - C18 H16 N2 O8 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P -1
Cell volume: 432.01
Cell parameters: 5.7316; 6.1988; 12.473; 85.726; 80.66; 81.607;  

COD ID: 7251442
CIF file Formula: - C18.45 H19.38 N3.48 O10.98 Zn -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: C 1 2/c 1
Cell volume: 4369
Cell parameters: 32.04; 4.74; 29.17; 90; 99.52; 90;  

COD ID: 7251443
CIF file Formula: - C38 H34 Co2 N6 O18 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P 1 21 1
Cell volume: 2099.7
Cell parameters: 8.635; 20.581; 12.07; 90; 101.8; 90;  

COD ID: 7251444
CIF file Formula: - C20 H20 Mn N4 O10 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P -1
Cell volume: 1153.2
Cell parameters: 9.88; 10.14; 13.57; 84.31; 71.44; 63.63;  

COD ID: 7251445
CIF file Formula: - C20 H20 Co N4 O10 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P -1
Cell volume: 1116.56
Cell parameters: 9.6362; 10.1021; 13.5166; 84.244; 71.817; 63.4;  

COD ID: 7251446
CIF file Formula: - C17 H13 Cd N3 O9 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P 21 21 21
Cell volume: 1820.1
Cell parameters: 4.79; 15.013; 25.31; 90; 90; 90;  

COD ID: 7251447
CIF file Formula: - C20 H20 Cd N4 O10 -
Comments: Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R. Conformational preferences of diimide-based dicarboxylate species and their coordination polymers CrystEngComm 28(3) (2026) 736-747
Space group: P -1
Cell volume: 576.63
Cell parameters: 4.973; 9.0826; 12.8166; 91.128; 92.195; 94.386;  

COD ID: 7251448
CIF file Formula: - C208 H258 Ag6 N16 O28 S16 Ti6 -
Comments: Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction CrystEngComm 28(4) (2026) 806-811
Space group: P -1
Cell volume: 11702.9
Cell parameters: 21.765; 21.8911; 26.7368; 70.548; 77.185; 87.923;  

COD ID: 7251449
CIF file Formula: - C76 H104 N4 O12 S4 Ti2 -
Comments: Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction CrystEngComm 28(4) (2026) 806-811
Space group: P 1 21/n 1
Cell volume: 4077.7
Cell parameters: 12.8614; 13.3481; 23.7581; 90; 91.259; 90;  

COD ID: 7251450
CIF file Formula: - C22 H22 N2 O4 -
Comments: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G. Four polymorphic structures of a symmetric azo dye CrystEngComm 28(11) (2026) 1781-1790
Space group: P -1
Cell volume: 479.17
Cell parameters: 5.9187; 8.0533; 10.5862; 99.782; 96.732; 102.517;  

COD ID: 7251451
CIF file Formula: - C22 H22 N2 O4 -
Comments: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G. Four polymorphic structures of a symmetric azo dye CrystEngComm 28(11) (2026) 1781-1790
Space group: P 1 21/c 1
Cell volume: 950.7
Cell parameters: 13.4185; 9.8231; 7.2136; 90; 90.961; 90;  

COD ID: 7251452
CIF file Formula: - C22 H22 N2 O4 -
Comments: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G. Four polymorphic structures of a symmetric azo dye CrystEngComm 28(11) (2026) 1781-1790
Space group: P 21 21 21
Cell volume: 1894.22
Cell parameters: 3.9172; 9.6395; 50.1648; 90; 90; 90;  

COD ID: 7251453
CIF file Formula: - C11 H13 N O2 -
Comments: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G. Four polymorphic structures of a symmetric azo dye CrystEngComm 28(11) (2026) 1781-1790
Space group: P n a 21
Cell volume: 1035.08
Cell parameters: 22.6748; 8.4634; 5.3937; 90; 90; 90;  

COD ID: 7251454
CIF file Formula: - C11 H11 N O4 -
Comments: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G. Four polymorphic structures of a symmetric azo dye CrystEngComm 28(11) (2026) 1781-1790
Space group: P -1
Cell volume: 521.8
Cell parameters: 6.9802; 8.0029; 10.9422; 69.905; 72.221; 68.201;  

COD ID: 7251455
CIF file Formula: - C22 H22 N2 O4 -
Comments: Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G. Four polymorphic structures of a symmetric azo dye CrystEngComm 28(11) (2026) 1781-1790
Space group: P 1 21 1
Cell volume: 1915.79
Cell parameters: 8.8556; 10.0594; 21.7173; 90; 98.001; 90;  

COD ID: 7251456
CIF file Formula: - C73 H76 Br2 O10 -
Comments: Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm 28(8) (2026) 1331-1338
Space group: C 1 c 1
Cell volume: 6303.7
Cell parameters: 11.3658; 25.1078; 22.8023; 90; 104.364; 90;  

COD ID: 7251457
CIF file Formula: - C71 H72 Br2 O10 -
Comments: Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm 28(8) (2026) 1331-1338
Space group: C 1 2/c 1
Cell volume: 6190.4
Cell parameters: 11.1392; 25.2833; 22.6009; 90; 103.461; 90;  

COD ID: 7251458
CIF file Formula: - C106 H128 Br4 O12 -
Comments: Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm 28(8) (2026) 1331-1338
Space group: C 1 2/c 1
Cell volume: 9781
Cell parameters: 39.404; 10.6754; 24.3659; 90; 107.392; 90;  

COD ID: 7251459
CIF file Formula: - C102 H120 Br4 O12 -
Comments: Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene CrystEngComm 28(8) (2026) 1331-1338
Space group: C 1 2/c 1
Cell volume: 9291.7
Cell parameters: 38.7491; 10.4816; 23.9295; 90; 107.054; 90;  

COD ID: 7251460
CIF file Formula: - C22 H34 Cl2 N4 O -
Comments: Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm 28(5) (2026) 990-999
Space group: P 1 21/c 1
Cell volume: 2367.18
Cell parameters: 7.3871; 17.4215; 18.6866; 90; 100.156; 90;  

COD ID: 7251461
CIF file Formula: - C36 H40 N4 O4 -
Comments: Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm 28(5) (2026) 990-999
Space group: P -1
Cell volume: 1572.7
Cell parameters: 10.9536; 12.2674; 12.3465; 92.853; 98.138; 105.889;  

COD ID: 7251462
CIF file Formula: - C30 H36 N4 O4 -
Comments: Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm 28(5) (2026) 990-999
Space group: P n n a
Cell volume: 3895.8
Cell parameters: 9.4959; 17.181; 23.879; 90; 90; 90;  

COD ID: 7251463
CIF file Formula: - C74 H80 N8 O8 -
Comments: Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm 28(5) (2026) 990-999
Space group: P b c n
Cell volume: 21512.6
Cell parameters: 30.0803; 26.6383; 26.8475; 90; 90; 90;  

COD ID: 7251464
CIF file Formula: - C101 H100 N8 O16 -
Comments: Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G. 1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions CrystEngComm 28(5) (2026) 990-999
Space group: I 41/a :2
Cell volume: 9057.68
Cell parameters: 22.70732; 22.70732; 17.5665; 90; 90; 90;  

COD ID: 7251465
CIF file Formula: - C24 H28 N2 O3 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P 1 21 1
Cell volume: 1008.1
Cell parameters: 11.867; 5.9451; 14.816; 90; 105.328; 90;  

COD ID: 7251466
CIF file Formula: - C34 H48 N2 O5 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P -1
Cell volume: 1589.7
Cell parameters: 8.159; 9.147; 23.118; 84.592; 81.785; 68.743;  

COD ID: 7251467
CIF file Formula: - C28 H37 Cl N2 O5 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P -1
Cell volume: 1614.2
Cell parameters: 10.2784; 10.5283; 15.382; 76.476; 85.972; 89.973;  

COD ID: 7251468
CIF file Formula: - C26 H32 N2 O5 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: C 1 2/c 1
Cell volume: 4990.1
Cell parameters: 24.2682; 11.0691; 18.7201; 90; 97.1082; 90;  

COD ID: 7251469
CIF file Formula: - C26 H35 N3 O4 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P -1
Cell volume: 1271.46
Cell parameters: 6.923; 9.5568; 20.6857; 78.3703; 89.8695; 71.8961;  

COD ID: 7251470
CIF file Formula: - C24 H32 N2 O5 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P -1
Cell volume: 1167.4
Cell parameters: 6.721; 8.395; 21.299; 80.462; 89.652; 80.149;  

COD ID: 7251471
CIF file Formula: - C26 H34 N2 O5 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P -1
Cell volume: 1257.7
Cell parameters: 7.072; 9.552; 20.43; 78.051; 80.463; 69.442;  

COD ID: 7251472
CIF file Formula: - C28 H36 N2 O7 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P 1 21/n 1
Cell volume: 2766.4
Cell parameters: 17.796; 6.5459; 25.136; 90; 109.131; 90;  

COD ID: 7251473
CIF file Formula: - C26 H33 Br N2 O5 -
Comments: Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies CrystEngComm 28(10) (2026) 1621-1635
Space group: P n a 21
Cell volume: 2660
Cell parameters: 28.4445; 9.0341; 10.3513; 90; 90; 90;  

COD ID: 7251474
CIF file Formula: - C6 H4 Ag2 N4 O6 S -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: I 1 2/a 1
Cell volume: 1044.6
Cell parameters: 7.201; 9.608; 15.507; 90; 103.18; 90;  

COD ID: 7251475
CIF file Formula: - C20 H14 Ag Cl N4 O5 Se2 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P -1
Cell volume: 558.06
Cell parameters: 3.814; 10.3541; 14.2499; 92.62; 95.335; 94.139;  

COD ID: 7251476
CIF file Formula: - C28 H22 Ag2 F12 N10 Sb2 Se4 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P 1 21/c 1
Cell volume: 1990.98
Cell parameters: 12.2862; 10.8853; 15.1578; 90; 100.846; 90;  

COD ID: 7251477
CIF file Formula: - C44 H30 Ag2 Cl2 N10 O8 S4 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P -1
Cell volume: 1108.6
Cell parameters: 7.4983; 9.4191; 16.203; 91.584; 90.423; 104.261;  

COD ID: 7251478
CIF file Formula: - C16 H16 Ag Cl N4 O4 Se2 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P -1
Cell volume: 1895.7
Cell parameters: 7.4239; 13.407; 20.291; 107.42; 98.47; 93.08;  

COD ID: 7251479
CIF file Formula: - C6 H4 Ag2 N4 O6 Se -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: I 1 2/a 1
Cell volume: 1061.67
Cell parameters: 7.1843; 9.6347; 15.7023; 90; 102.367; 90;  

COD ID: 7251480
CIF file Formula: - C10 H6 Ag N3 O3 Se -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P 1 2/n 1
Cell volume: 511.7
Cell parameters: 6.88; 12.017; 6.963; 90; 117.27; 90;  

COD ID: 7251481
CIF file Formula: - C14 H11 Ag B F4 N5 Se2 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P -1
Cell volume: 875.25
Cell parameters: 7.8775; 10.6277; 12.0636; 68.86; 88.968; 69.456;  

COD ID: 7251482
CIF file Formula: - C12 H10 Ag B F4 N4 O S2 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P 1 21 1
Cell volume: 796.17
Cell parameters: 6.9919; 11.3238; 10.4854; 90; 106.456; 90;  

COD ID: 7251483
CIF file Formula: - C14 H12 Ag N5 O3 Se2 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P -1
Cell volume: 793.87
Cell parameters: 7.3648; 9.9357; 11.3068; 96.414; 91.408; 104.754;  

COD ID: 7251484
CIF file Formula: - C30 H18 Ag3 N9 O9 S3 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P 1 21/c 1
Cell volume: 3247.5
Cell parameters: 6.7953; 35.947; 13.5656; 90; 101.474; 90;  

COD ID: 7251485
CIF file Formula: - C8 H10 Ag N3 O4 Se -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P b c a
Cell volume: 2238.88
Cell parameters: 13.3558; 7.1039; 23.5974; 90; 90; 90;  

COD ID: 7251486
CIF file Formula: - C16 H16 Ag N5 O3 Se2 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P 1 21/n 1
Cell volume: 1820.7
Cell parameters: 7.0765; 14.922; 17.437; 90; 98.577; 90;  

COD ID: 7251487
CIF file Formula: - C28 H24 Ag2 N10 O6 Se4 -
Comments: Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly CrystEngComm 28(7) (2026) 1206-1214
Space group: P 1 21/c 1
Cell volume: 1649
Cell parameters: 7.456; 21.169; 11.074; 90; 109.36; 90;  

COD ID: 7251488
CIF file Formula: - C17 H21 N3 O S -
Comments: Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR. CrystEngComm 28(8) (2026) 1339-1350
Space group: P 1 21/n 1
Cell volume: 1618.33
Cell parameters: 12.7047; 8.0199; 16.4944; 90; 105.648; 90;  

COD ID: 7251489
CIF file Formula: - C17 H21 N3 O S -
Comments: Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR. CrystEngComm 28(8) (2026) 1339-1350
Space group: C 1 c 1
Cell volume: 1609.26
Cell parameters: 13.9971; 16.3389; 7.7318; 90; 114.482; 90;  

COD ID: 7251490
CIF file Formula: - C17 H21 N3 O S -
Comments: Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR. CrystEngComm 28(8) (2026) 1339-1350
Space group: P 21 21 21
Cell volume: 1602
Cell parameters: 7.325; 12.993; 16.832; 90; 90; 90;  

COD ID: 7251491
CIF file Formula: - C12 H11 N9 O4 Zn2 -
Comments: Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation CrystEngComm 28(9) (2026) 1485-1488
Space group: I 4/m
Cell volume: 4258.8
Cell parameters: 12.8268; 12.8268; 25.8853; 90; 90; 90;  

COD ID: 7251492
CIF file Formula: - C8 H18 O13 Pb Re2 -
Comments: Charkin, Dmitri; Grishaev, Vasili; Kireev, Vadim; Volkov, Sergey; Arsent'ev, Maxim; Vorobiev, Stepan; Gosteva, Alevtina; Kompanchenko, Alena; Khasanov, Kirill; Krzhizhanovskaya, Maria; Aksenov, Sergey; Petříček, Václav The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D space CrystEngComm 28(5) (2026) 1000-1007
Space group: P 1 21/c 1
Cell volume: 1755.27
Cell parameters: 7.9684; 28.1002; 7.9792; 90; 100.755; 90;  

COD ID: 7251493
CIF file Formula: - C13 H21 N2 O6 -
Comments: Zhang, Jing; Feng, Yi; Cao, Yun-Dong; Fan, Lin-Lin; Lv, Cai-Li; Cheng, Lei; Gao, Guang-Gang; Liu, Hong Solvated pyromellitic acid-modified separator for stable lithium metal anodes and high-performance Li–S batteries CrystEngComm 28(6) (2026) 1135-1146
Space group: P -1
Cell volume: 758.69
Cell parameters: 7.8703; 9.391; 11.0106; 72.161; 78.64; 84.085;  

COD ID: 7251494
CIF file Formula: - C10 H11 F2 N O -
Comments: Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm 28(9) (2026) 1494-1507
Space group: P 21 21 21
Cell volume: 946.7
Cell parameters: 5.1128; 6.7751; 27.331; 90; 90; 90;  

COD ID: 7251495
CIF file Formula: - C10 H11 F2 N O -
Comments: Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm 28(9) (2026) 1494-1507
Space group: P -1
Cell volume: 492
Cell parameters: 5.1799; 9.618; 10.442; 81.822; 80.772; 74.442;  

COD ID: 7251496
CIF file Formula: - C10 H11 F2 N O -
Comments: Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm 28(9) (2026) 1494-1507
Space group: P c a 21
Cell volume: 988.18
Cell parameters: 12.0624; 9.4612; 8.6588; 90; 90; 90;  

COD ID: 7251497
CIF file Formula: - C20 H22 F4 N2 O2 -
Comments: Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments CrystEngComm 28(9) (2026) 1494-1507
Space group: P 1 21/n 1
Cell volume: 1974
Cell parameters: 9.51; 11.0959; 19.198; 90; 102.991; 90;  

COD ID: 7251498
CIF file Formula: - C8 H13 N O6 S -
Comments: García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm 28(5) (2026) 951-961
Space group: P 21 21 21
Cell volume: 1053.38
Cell parameters: 6.8391; 11.2218; 13.7253; 90; 90; 90;  

COD ID: 7251499
CIF file Formula: - C22 H34 Cl2 Cu N6 O8 -
Comments: García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm 28(5) (2026) 951-961
Space group: P -1
Cell volume: 663.7
Cell parameters: 8.1875; 8.7569; 9.8704; 94.856; 103.393; 103.024;  

COD ID: 7251500
CIF file Formula: - C7.33 H11.33 Cl0.67 N2 O2.33 -
Comments: García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm 28(5) (2026) 951-961
Space group: C 1 2/c 1
Cell volume: 5096
Cell parameters: 51.723; 7.3982; 13.4262; 90; 97.297; 90;  

COD ID: 7251501
CIF file Formula: - C12 H17 N3 O6 -
Comments: García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study CrystEngComm 28(5) (2026) 951-961
Space group: P -1
Cell volume: 654.65
Cell parameters: 7.0597; 8.8765; 11.2263; 89.195; 88.506; 68.574;  

COD ID: 7251502
CIF file Formula: - C10 H10 Br2 Cl5 I2 N2 Sb -
Comments: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm 28(7) (2026) 1197-1205
Space group: P 1 21/n 1
Cell volume: 2194.66
Cell parameters: 14.9208; 7.0913; 20.9159; 90; 97.395; 90;  

COD ID: 7251503
CIF file Formula: - C10 H10 Cl7 I2 N2 Sb -
Comments: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm 28(7) (2026) 1197-1205
Space group: P 1 21/n 1
Cell volume: 2155.86
Cell parameters: 14.5435; 7.1608; 20.82; 90; 96.131; 90;  

COD ID: 7251504
CIF file Formula: - C10 H10 Bi Br2 Cl5 I2 N2 -
Comments: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm 28(7) (2026) 1197-1205
Space group: P 1 21/n 1
Cell volume: 2210.1
Cell parameters: 14.89; 7.1531; 20.9598; 90; 98.109; 90;  

COD ID: 7251505
CIF file Formula: - C10 H10 Bi Cl7 I2 N2 -
Comments: Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A. Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds CrystEngComm 28(7) (2026) 1197-1205
Space group: P 1 21/n 1
Cell volume: 2174.69
Cell parameters: 14.5781; 7.2057; 20.8721; 90; 97.312; 90;  

COD ID: 7251506
CIF file Formula: - C19 H21 Cd2 Cl4 N5 O -
Comments: Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm 28(3) (2026) 748-761
Space group: P 1 21/n 1
Cell volume: 2388.7
Cell parameters: 14.665; 10.8323; 15.619; 90; 105.691; 90;  

COD ID: 7251507
CIF file Formula: - C30 H24 Cd3 Cl6 N8 -
Comments: Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm 28(3) (2026) 748-761
Space group: P 1 21/c 1
Cell volume: 1739.05
Cell parameters: 10.201; 9.3121; 18.5118; 90; 98.526; 90;  

COD ID: 7251508
CIF file Formula: - C19 H21 Cd N7 O7 -
Comments: Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm 28(3) (2026) 748-761
Space group: P 1 21/c 1
Cell volume: 4565.9
Cell parameters: 27.4056; 10.3739; 16.0893; 90; 93.455; 90;  

COD ID: 7251509
CIF file Formula: - C18 H19 Cd N7 O7 -
Comments: Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds CrystEngComm 28(3) (2026) 748-761
Space group: P b c a
Cell volume: 4472.66
Cell parameters: 10.3394; 15.8855; 27.2314; 90; 90; 90;  

COD ID: 7251510
CIF file Formula: - C5 H5 O6 Zn -
Comments: Vakil, Farhat; Aldauij, Omar K.; Afzal, Asif; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Abdelrahman, Ehab A. A Zn-based MOF with honeycomb topology for highly efficient iodine uptake from vapor and liquid phases: synthesis, crystal structure, topology and dual-phase sorption performance CrystEngComm 28(6) (2026) 1147-1162
Space group: P 1 21/n 1
Cell volume: 688
Cell parameters: 5.2167; 16.333; 8.1547; 90; 98.052; 90;  

COD ID: 7251511
CIF file Formula: - C43 H34 N6 O7 -
Comments: Wzgarda-Raj, Kinga Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals CrystEngComm 28(11) (2026) 1791-1800
Space group: P -1
Cell volume: 1730.68
Cell parameters: 9.6784; 10.806; 17.5157; 77.538; 78.893; 78.392;  

COD ID: 7251512
CIF file Formula: - C69 H50 N8 O9 -
Comments: Wzgarda-Raj, Kinga Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals CrystEngComm 28(11) (2026) 1791-1800
Space group: P -1
Cell volume: 2747.24
Cell parameters: 8.6222; 16.8759; 20.4571; 69.73; 83.52; 80.248;  

COD ID: 7251513
CIF file Formula: - C7 H10 N4 O4 -
Comments: Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V. Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems CrystEngComm 28(6) (2026) 1115-1124
Space group: P 1 21/c 1
Cell volume: 883.39
Cell parameters: 5.854; 16.7182; 9.2006; 90; 101.171; 90;  

COD ID: 7251514
CIF file Formula: - C7 H10 N4 O4 -
Comments: Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V. Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems CrystEngComm 28(6) (2026) 1115-1124
Space group: P b c a
Cell volume: 1794.94
Cell parameters: 13.6261; 7.1632; 18.3896; 90; 90; 90;  

COD ID: 7251515
CIF file Formula: - C10 H14 N8 O8 -
Comments: Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V. Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems CrystEngComm 28(6) (2026) 1115-1124
Space group: P -1
Cell volume: 735.9
Cell parameters: 7.2682; 7.4476; 15.3478; 89.808; 77.703; 65.604;  

COD ID: 7251516
CIF file Formula: - C10 H10 N8 O4 -
Comments: Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V. Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems CrystEngComm 28(6) (2026) 1115-1124
Space group: P -1
Cell volume: 598.83
Cell parameters: 6.2828; 7.0513; 14.9231; 85.761; 88.382; 65.266;  

COD ID: 7251517
CIF file Formula: - C12 H15 N5 O4 -
Comments: Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V. Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems CrystEngComm 28(6) (2026) 1115-1124
Space group: P 1 21/c 1
Cell volume: 2638.76
Cell parameters: 20.1096; 6.5746; 20.4108; 90; 102.085; 90;  

COD ID: 7251518
CIF file Formula: - C84 H68 Cd3 N2 O16 -
Comments: Luo, Yuqian; Lu, Yongyang; Wu, Ziqiang; Ye, Chunyin; Zhang, ChuanLei Flexible-functionalized Cd-MOFs for photocatalytic CO2 reduction: tuning framework flexibility via ligand design CrystEngComm 28(4) (2026) 912-918
Space group: C 1 c 1
Cell volume: 6650.4
Cell parameters: 46.4009; 6.3419; 22.613; 90; 91.963; 90;  

COD ID: 7251519
CIF file Formula: - C4 H14 Cu N12 O8 -
Comments: Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis CrystEngComm 28(12) (2026) 1931-1937
Space group: P 1 21/n 1
Cell volume: 700.66
Cell parameters: 8.3514; 8.029; 10.685; 90; 102.056; 90;  

COD ID: 7251520
CIF file Formula: - C3 H2 Ag N7 O2 -
Comments: Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis CrystEngComm 28(12) (2026) 1931-1937
Space group: P 1 21/n 1
Cell volume: 649.83
Cell parameters: 4.8266; 21.9823; 6.3898; 90; 106.562; 90;  

COD ID: 7251521
CIF file Formula: - C6 H12 Cu N14 O8 -
Comments: Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis CrystEngComm 28(12) (2026) 1931-1937
Space group: P 1 21/c 1
Cell volume: 806.05
Cell parameters: 8.0601; 9.1901; 10.8846; 90; 91.301; 90;  

COD ID: 7251522
CIF file Formula: - C2 H3 Ag N6 O2 -
Comments: Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis CrystEngComm 28(12) (2026) 1931-1937
Space group: P 1 21/n 1
Cell volume: 563.74
Cell parameters: 4.8588; 8.3454; 13.9313; 90; 93.658; 90;  

COD ID: 7251523
CIF file Formula: - C13 H18 Cl N13 O7 Pb2 S2 -
Comments: Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Castiñeiras, Alfonso; Gurbanov, Atash V.; Tutar, Ömer Faruk; Zangrando, Ennio; Panova, Elizaveta V.; Frontera, Antonio; Safin, Damir A. A lead(ii) supramolecular coordination polymer, obtained from polydonor N′-(amino(pyrazin-2-yl)methylene)thiosemicarbazide, stabilized by tetrel bonds and other non-covalent interactions CrystEngComm 28(8) (2026) 1383-1393
Space group: P -1
Cell volume: 1229.78
Cell parameters: 9.7827; 11.0949; 12.8327; 64.981; 77.088; 85.954;  

COD ID: 7251524
CIF file Formula: - C23 H42 N7 Ni O19 P -
Comments: Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides CrystEngComm 28(7) (2026) 1286-1298
Space group: P 1
Cell volume: 866.06
Cell parameters: 6.9004; 10.0094; 13.4169; 69.587; 85.819; 89.459;  

COD ID: 7251525
CIF file Formula: - C22 H46 Mn N7 O20 P -
Comments: Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides CrystEngComm 28(7) (2026) 1286-1298
Space group: P 1
Cell volume: 912.93
Cell parameters: 7.0184; 10.1341; 13.6387; 70.336; 88.826; 88.08;  

COD ID: 7251526
CIF file Formula: - C32 H52 N12 O23 P2 -
Comments: Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides CrystEngComm 28(7) (2026) 1286-1298
Space group: P 1 21 1
Cell volume: 2199.9
Cell parameters: 11.4237; 7.386; 26.548; 90; 100.864; 90;  

COD ID: 7251527
CIF file Formula: - C28 H19 Ag N4 O9 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P -1
Cell volume: 1273.49
Cell parameters: 9.4392; 10.4331; 14.5148; 76.969; 85.423; 66.14;  

COD ID: 7251528
CIF file Formula: - C12 H9 Ag N2 O5 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P 1 21/n 1
Cell volume: 1202.2
Cell parameters: 12.779; 7.1294; 13.218; 90; 93.331; 90;  

COD ID: 7251529
CIF file Formula: - C26 H25 Ag N4 O8 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P -1
Cell volume: 1302.3
Cell parameters: 9.096; 9.557; 15.651; 76.424; 80.583; 84.483;  

COD ID: 7251530
CIF file Formula: - C37 H36 Ag2 N8 O12 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P -1
Cell volume: 2008.9
Cell parameters: 9.4624; 11.7312; 19.16; 95.359; 95.325; 106.993;  

COD ID: 7251531
CIF file Formula: - C24 H19 Ag N4 O7 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P 1 21/n 1
Cell volume: 2340.6
Cell parameters: 8.5629; 25.199; 10.864; 90; 93.17; 90;  

COD ID: 7251532
CIF file Formula: - C16 H12 Ag N2 O7 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P -1
Cell volume: 784
Cell parameters: 8.6861; 8.914; 11.391; 84.881; 70.317; 70.793;  

COD ID: 7251533
CIF file Formula: - C30 H31 Ag2 N6 O12 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P -1
Cell volume: 1655.3
Cell parameters: 10.8579; 12.1551; 13.0789; 78.82; 85.334; 78.078;  

COD ID: 7251534
CIF file Formula: - C46 H45 Ag5 N8 O21 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P -1
Cell volume: 2709
Cell parameters: 9.627; 10.094; 31.171; 85.529; 85.355; 63.937;  

COD ID: 7251535
CIF file Formula: - C24 H29 Ag N4 O12 -
Comments: Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands CrystEngComm 28(11) (2026) 1801-1811
Space group: P 1 21/c 1
Cell volume: 2709.5
Cell parameters: 11.277; 11.398; 21.089; 90; 91.707; 90;  

COD ID: 7251536
CIF file Formula: - C22 H14 F6 N2 -
Comments: Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H. Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines CrystEngComm 28(4) (2026) 849-861
Space group: P 1 21/n 1
Cell volume: 1912
Cell parameters: 8.3139; 12.128; 19.032; 90; 94.887; 90;  

COD ID: 7251537
CIF file Formula: - C22 H14 F6 N2 -
Comments: Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H. Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines CrystEngComm 28(4) (2026) 849-861
Space group: P 1 21/n 1
Cell volume: 1868.3
Cell parameters: 14.9937; 7.5042; 16.9077; 90; 100.858; 90;  

COD ID: 7251538
CIF file Formula: - C22 H14 F6 N2 -
Comments: Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H. Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines CrystEngComm 28(4) (2026) 849-861
Space group: P 1 21/n 1
Cell volume: 875
Cell parameters: 12.786; 4.7478; 14.494; 90; 96.023; 90;  

COD ID: 7251539
CIF file Formula: - C22 H14 F6 N2 -
Comments: Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H. Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines CrystEngComm 28(4) (2026) 849-861
Space group: P 1 21/n 1
Cell volume: 901.4
Cell parameters: 12.5991; 4.8277; 14.9975; 90; 98.831; 90;  

COD ID: 7251540
CIF file Formula: - C22 H14 F6 N2 -
Comments: Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H. Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines CrystEngComm 28(4) (2026) 849-861
Space group: P 1 21/n 1
Cell volume: 915.6
Cell parameters: 4.9998; 12.277; 14.928; 90; 92.252; 90;  

COD ID: 7251541
CIF file Formula: - C38 H24 Cl2 O4 -
Comments: Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C. Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil CrystEngComm 28(10) (2026) 1658-1668
Space group: P -1
Cell volume: 717.49
Cell parameters: 9.0084; 9.1333; 10.0681; 101.022; 113.051; 100.435;  

COD ID: 7251542
CIF file Formula: - C46 H34 Cl2 O4 -
Comments: Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C. Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil CrystEngComm 28(10) (2026) 1658-1668
Space group: P -1
Cell volume: 886.59
Cell parameters: 9.4967; 9.964; 11.4322; 64.5859; 75.1697; 65.7342;  

COD ID: 7251543
CIF file Formula: - C54 H44 Cl2 O4 -
Comments: Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C. Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil CrystEngComm 28(10) (2026) 1658-1668
Space group: P -1
Cell volume: 1075.75
Cell parameters: 10.3526; 10.677; 10.885; 111.158; 95.138; 102.671;  

COD ID: 7251544
CIF file Formula: - C34 H32 Cl2 N2 O6 -
Comments: Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J. A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker CrystEngComm 28(3) (2026) 631-634
Space group: P -1
Cell volume: 1542.02
Cell parameters: 10.9858; 11.9858; 13.2917; 84.1988; 82.2922; 62.8753;  

COD ID: 7251545
CIF file Formula: - C282 H342 N12 O75 Zn6 -
Comments: Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J. A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker CrystEngComm 28(3) (2026) 631-634
Space group: R -3 :H
Cell volume: 25985.3
Cell parameters: 25.8311; 25.8311; 44.9688; 90; 90; 120;  

COD ID: 7251546
CIF file Formula: - C51 H66 N2 O12 -
Comments: Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J. A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker CrystEngComm 28(3) (2026) 631-634
Space group: P -1
Cell volume: 2376.66
Cell parameters: 12.1185; 12.6366; 16.8865; 97.8567; 101.651; 106.452;  

COD ID: 7251547
CIF file Formula: - C20 H42 Cl2 N2 O6 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: P 1 2/n 1
Cell volume: 2281.56
Cell parameters: 18.7063; 6.3312; 20.0829; 90; 106.413; 90;  

COD ID: 7251548
CIF file Formula: - C2 H12 Cl2 N2 O1.87 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 730.15
Cell parameters: 11.1837; 5.9656; 11.0793; 90; 98.964; 90;  

COD ID: 7251549
CIF file Formula: - C6 H16 Cl2 N2 O2 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 961.03
Cell parameters: 9.7834; 9.3257; 10.6627; 90; 98.935; 90;  

COD ID: 7251550
CIF file Formula: - C4 H14 Cl2 N2 O2 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 835.35
Cell parameters: 10.7011; 6.1485; 13.6061; 90; 111.074; 90;  

COD ID: 7251551
CIF file Formula: - C20 H38 Cl2 N2 O2 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: P -1
Cell volume: 1054.13
Cell parameters: 6.7122; 11.2178; 14.5863; 78.253; 78.616; 87.474;  

COD ID: 7251552
CIF file Formula: - C4 H16 Cl2 N2 O4 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: P 1 21/c 1
Cell volume: 487.02
Cell parameters: 7.3636; 11.0879; 6.0534; 90; 99.808; 90;  

COD ID: 7251553
CIF file Formula: - C2 H12 Cl2 N2 O2 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 739.5
Cell parameters: 11.231; 5.985; 11.134; 90; 98.835; 90;  

COD ID: 7251554
CIF file Formula: - C4 H14 Cl2 N2 O1.38 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 824.31
Cell parameters: 10.479; 6.1798; 13.515; 90; 109.635; 90;  

COD ID: 7251555
CIF file Formula: - C4 H14 Cl2 N2 O1.73 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 831.16
Cell parameters: 10.6313; 6.1567; 13.5716; 90; 110.665; 90;  

COD ID: 7251556
CIF file Formula: - C4 H14 Br2 N2 O2 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 911
Cell parameters: 11.1916; 6.2618; 13.9442; 90; 111.211; 90;  

COD ID: 7251557
CIF file Formula: - C6 H16 Cl2 N2 O1.29 -
Comments: Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V. Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering CrystEngComm 28(7) (2026) 1225-1237
Space group: C 1 2/c 1
Cell volume: 946.59
Cell parameters: 9.7389; 9.5339; 10.3448; 90; 99.768; 90;  

COD ID: 7251558
CIF file Formula: - C38 H42 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 1 21 1
Cell volume: 3131.9
Cell parameters: 9.4477; 9.5257; 34.801; 90; 90.218; 90;  

COD ID: 7251559
CIF file Formula: - C38 H42 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 21 21 21
Cell volume: 3112.3
Cell parameters: 9.2556; 9.3831; 35.837; 90; 90; 90;  

COD ID: 7251560
CIF file Formula: - C40 H44 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 21 21 21
Cell volume: 3300.5
Cell parameters: 9.2541; 16.6075; 21.4755; 90; 90; 90;  

COD ID: 7251561
CIF file Formula: - C38 H42 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 21 21 21
Cell volume: 3130.3
Cell parameters: 9.324; 12.457; 26.951; 90; 90; 90;  

COD ID: 7251562
CIF file Formula: - C40 H44 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 21 21 21
Cell volume: 3220.7
Cell parameters: 9.6545; 11.2256; 29.717; 90; 90; 90;  

COD ID: 7251563
CIF file Formula: - C41 H46 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 1
Cell volume: 1677.5
Cell parameters: 9.3341; 9.9506; 18.611; 100.611; 98.637; 91.317;  

COD ID: 7251564
CIF file Formula: - C40 H44 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 21 21 21
Cell volume: 3228
Cell parameters: 9.1811; 15.953; 22.039; 90; 90; 90;  

COD ID: 7251565
CIF file Formula: - C41 H46 O5 -
Comments: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R. TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition CrystEngComm 28(10) (2026) 1690-1698
Space group: P 21 21 21
Cell volume: 3313.9
Cell parameters: 9.324; 15.978; 22.244; 90; 90; 90;  

COD ID: 7251566
CIF file Formula: - C24 H19 N3 O2 -
Comments: Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism CrystEngComm 28(6) (2026) 1083-1090
Space group: P -1
Cell volume: 1006.6
Cell parameters: 9.583; 10.432; 11.513; 111.09; 106.87; 94.31;  

COD ID: 7251567
CIF file Formula: - C24 H21 N3 O3 -
Comments: Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism CrystEngComm 28(6) (2026) 1083-1090
Space group: P -1
Cell volume: 2039.2
Cell parameters: 9.192; 10.19; 23.366; 92.24; 95.24; 110.23;  

COD ID: 7251568
CIF file Formula: - C25 H24 N2 O5 -
Comments: Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism CrystEngComm 28(6) (2026) 1083-1090
Space group: P 1 21/c 1
Cell volume: 2160
Cell parameters: 8.331; 15.739; 16.743; 90; 100.3; 90;  

COD ID: 7251569
CIF file Formula: - C26 H24 N2 O4 -
Comments: Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism CrystEngComm 28(6) (2026) 1083-1090
Space group: P 1 21/c 1
Cell volume: 2210.2
Cell parameters: 8.599; 15.82; 16.419; 90; 98.3; 90;  

COD ID: 7251570
CIF file Formula: - C27 H25 N3 O5 -
Comments: Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism CrystEngComm 28(6) (2026) 1083-1090
Space group: P -1
Cell volume: 2315.2
Cell parameters: 11.187; 14.173; 14.888; 81.72; 82.4; 89.71;  

COD ID: 7251571
CIF file Formula: - C30 H23 N O4 -
Comments: Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism CrystEngComm 28(6) (2026) 1083-1090
Space group: P 1 21/n 1
Cell volume: 2365.7
Cell parameters: 16.077; 8.455; 18.89; 90; 112.88; 90;  

COD ID: 7251572
CIF file Formula: - C16 H10 N2 O8 Sr2 -
Comments: Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties CrystEngComm 28(8) (2026) 1431-1443
Space group: P -1
Cell volume: 797.48
Cell parameters: 7.4671; 9.5062; 12.2972; 72.879; 82.237; 73.215;  

COD ID: 7251573
CIF file Formula: - C32 H21 Ba4 Cl N4 O16 -
Comments: Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties CrystEngComm 28(8) (2026) 1431-1443
Space group: P -1
Cell volume: 860.27
Cell parameters: 7.521; 9.8113; 12.5148; 76.429; 87.09; 73.427;  

COD ID: 7251574
CIF file Formula: - C8 H4 Bi F4 O7 -
Comments: Huang, Tao; Peng, Rufang; Jin, Bo Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX CrystEngComm 28(5) (2026) 962-971
Space group: P 1 21/c 1
Cell volume: 1131.95
Cell parameters: 13.368; 11.6173; 7.3026; 90; 93.526; 90;  

COD ID: 7251575
CIF file Formula: - C15 H21 Bi N3 O11 -
Comments: Huang, Tao; Peng, Rufang; Jin, Bo Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX CrystEngComm 28(5) (2026) 962-971
Space group: P 1 21/c 1
Cell volume: 2066.2
Cell parameters: 11.3625; 17.769; 10.2592; 90; 94.019; 90;  

COD ID: 7251576
CIF file Formula: - C33 H28 Bi N3 O7 S2 -
Comments: Huang, Tao; Peng, Rufang; Jin, Bo Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX CrystEngComm 28(5) (2026) 962-971
Space group: P 1 21/n 1
Cell volume: 3646.38
Cell parameters: 12.9683; 16.8294; 16.713; 90; 91.479; 90;  

COD ID: 7251618
CIF file Formula: - C15 H16 F3 N O2 Si0.5 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/c 1
Cell volume: 1434.1
Cell parameters: 15.7357; 9.2093; 10.0884; 90; 101.195; 90;  

COD ID: 7251619
CIF file Formula: - C15 H16 I N O2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/c 1
Cell volume: 1434.8
Cell parameters: 5.1138; 8.7321; 32.131; 90; 90.068; 90;  

COD ID: 7251620
CIF file Formula: - C15 H18 Cl N O3 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 21 21 21
Cell volume: 2904.04
Cell parameters: 7.9298; 8.3593; 43.8097; 90; 90; 90;  

COD ID: 7251621
CIF file Formula: - C44 H46 N2 O10 S2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/c 1
Cell volume: 1987.5
Cell parameters: 9.8577; 20.466; 10.6379; 90; 112.173; 90;  

COD ID: 7251622
CIF file Formula: - C15 H16 Br N O2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P b c a
Cell volume: 2853.8
Cell parameters: 8.4977; 9.6352; 34.855; 90; 90; 90;  

COD ID: 7251623
CIF file Formula: - C42 H36 N8 O18 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P -1
Cell volume: 1047.28
Cell parameters: 9.6794; 9.7835; 12.1156; 100.66; 100.472; 106.479;  

COD ID: 7251624
CIF file Formula: - C24 H23 N O5 S2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/c 1
Cell volume: 4351.1
Cell parameters: 7.1809; 25.9269; 23.5772; 90; 97.595; 90;  

COD ID: 7251625
CIF file Formula: - C15 H16 B F4 N O2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P b c a
Cell volume: 3029.26
Cell parameters: 8.8022; 9.8851; 34.8148; 90; 90; 90;  

COD ID: 7251626
CIF file Formula: - C15 H16 N2 O5 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P b c a
Cell volume: 2934.3
Cell parameters: 8.8672; 9.318; 35.514; 90; 90; 90;  

COD ID: 7251627
CIF file Formula: - C46 H36 N8 O18 S2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P -1
Cell volume: 1137.26
Cell parameters: 9.4657; 10.2813; 12.6518; 108.94; 95.789; 98.472;  

COD ID: 7251628
CIF file Formula: - C21 H18 N4 O9 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/n 1
Cell volume: 2033.9
Cell parameters: 8.2823; 12.122; 20.5398; 90; 99.496; 90;  

COD ID: 7251629
CIF file Formula: - C24 H23 N O5 S2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/c 1
Cell volume: 4353
Cell parameters: 7.164; 26.078; 23.533; 90; 98.064; 90;  

COD ID: 7251630
CIF file Formula: - C24 H23 N O5 S2 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P 1 21/c 1
Cell volume: 4327.5
Cell parameters: 7.1523; 26.1; 23.418; 90; 98.14; 90;  

COD ID: 7251631
CIF file Formula: - C22 H21 N O4 -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P b c a
Cell volume: 7336.9
Cell parameters: 7.1325; 44.554; 23.0878; 90; 90; 90;  

COD ID: 7251632
CIF file Formula: - C27.5 H26.5 N O5 S -
Comments: Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P. Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles CrystEngComm 28(16) (2026) 2560-2577
Space group: P -1
Cell volume: 2378.1
Cell parameters: 12.0542; 13.2014; 16.667; 69.704; 89.857; 73.979;  

COD ID: 7251642
CIF file Formula: - C33 H20 F8 N2 O3 -
Comments: Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G. Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways CrystEngComm 28(11) (2026) 1775-1780
Space group: P -1
Cell volume: 1361.2
Cell parameters: 7.5076; 11.7226; 15.5802; 86.106; 85.031; 86.792;  

COD ID: 7251643
CIF file Formula: - C33 H22 N6 O3 -
Comments: Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G. Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways CrystEngComm 28(11) (2026) 1775-1780
Space group: P -1
Cell volume: 2713.48
Cell parameters: 7.842; 8.0067; 44.0828; 87.523; 88.221; 78.969;  

COD ID: 7251644
CIF file Formula: - C29 H21 F5 N2 O4 -
Comments: Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G. Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways CrystEngComm 28(11) (2026) 1775-1780
Space group: P 1 21/n 1
Cell volume: 2476.43
Cell parameters: 7.7363; 21.8852; 14.6478; 90; 93.086; 90;  

COD ID: 7251645
CIF file Formula: - C24 H41 N4 O3 P -
Comments: Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols CrystEngComm 28(12) (2026) 1938-1953
Space group: P 1 21/n 1
Cell volume: 2602.44
Cell parameters: 13.7016; 10.0092; 19.051; 90; 95.077; 90;  

COD ID: 7251646
CIF file Formula: - C63 H85 F18 N8 O12 P2 Tb -
Comments: Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols CrystEngComm 28(12) (2026) 1938-1953
Space group: P 1 21/n 1
Cell volume: 7780.5
Cell parameters: 12.2774; 31.7772; 20.026; 90; 95.2292; 90;  

COD ID: 7251647
CIF file Formula: - C63 H85 F18 N8 Nd O12 P2 -
Comments: Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols CrystEngComm 28(12) (2026) 1938-1953
Space group: A e a 2
Cell volume: 8059.1
Cell parameters: 19.445; 23.4941; 17.6409; 90; 90; 90;  

COD ID: 7251648
CIF file Formula: - C63 H85 Eu F18 N8 O12 P2 -
Comments: Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols CrystEngComm 28(12) (2026) 1938-1953
Space group: A e a 2
Cell volume: 8019.2
Cell parameters: 19.5128; 23.4721; 17.509; 90; 90; 90;  

COD ID: 7251649
CIF file Formula: - C34 H43 Cu F12 N4 O7 P -
Comments: Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols CrystEngComm 28(12) (2026) 1938-1953
Space group: C 1 2/c 1
Cell volume: 9029.5
Cell parameters: 38.926; 12.0395; 20.668; 90; 111.217; 90;  

COD ID: 7251657
CIF file Formula: - C12 H10 Cl4 Hg2 N4 O -
Comments: Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures CrystEngComm 28(13) (2026) 2036-2046
Space group: P -1
Cell volume: 912.41
Cell parameters: 7.588; 7.931; 16.264; 86.363; 87.854; 69.099;  

COD ID: 7251658
CIF file Formula: - C18 H14 Cl2 Hg N4 O -
Comments: Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures CrystEngComm 28(13) (2026) 2036-2046
Space group: P 1 21/c 1
Cell volume: 1834.6
Cell parameters: 13.647; 16.454; 8.229; 90; 96.852; 90;  

COD ID: 7251659
CIF file Formula: - C36 H26 Cl6 Hg4 N8 O2 -
Comments: Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures CrystEngComm 28(13) (2026) 2036-2046
Space group: P -1
Cell volume: 2022.9
Cell parameters: 11.4724; 12.4973; 14.1981; 94.126; 90.617; 94.83;  

COD ID: 7251663
CIF file Formula: - Co3 O6 Te -
Comments: Zhou, Chaoqun; Wang, Luyao; Lei, Xiuyun; Yin, Congling; Liu, Laijun; Guo, Wenbin A facile method to grow crystals of the cobalt tellurite multiferroic material Co3TeO6 CrystEngComm 28(15) (2026) 2468-2472
Space group: C 1 2/c 1
Cell volume: 1342.49
Cell parameters: 14.761; 8.8319; 10.3387; 90; 95.102; 90;  

COD ID: 7251664
CIF file Formula: - C20 H12 Cl4.3 I1.7 O4 -
Comments: Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state CrystEngComm 28(11) (2026) 1770-1774
Space group: P -1
Cell volume: 545.19
Cell parameters: 5.3509; 6.4894; 16.2659; 100.729; 94.129; 98.966;  

COD ID: 7251665
CIF file Formula: - C20 H14 Cl4 I2 N2 O2 -
Comments: Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state CrystEngComm 28(11) (2026) 1770-1774
Space group: P -1
Cell volume: 558.83
Cell parameters: 5.0898; 6.926; 16.2552; 99.932; 93.092; 96.812;  

COD ID: 7251666
CIF file Formula: - C20 H14 Cl4.37 I1.63 N2 O2 -
Comments: Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state CrystEngComm 28(11) (2026) 1770-1774
Space group: P -1
Cell volume: 556.3
Cell parameters: 5.0831; 6.9377; 16.19; 100.35; 93.108; 96.628;  

COD ID: 7251678
CIF file Formula: - C50 H30 F10 Ir N10 P -
Comments: Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection CrystEngComm 28(15) (2026) 2403-2414
Space group: P -1
Cell volume: 2437
Cell parameters: 11.873; 13.411; 16.403; 110.382; 92.879; 93.482;  

COD ID: 7251679
CIF file Formula: - C29 H20 Cl2 N8 -
Comments: Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection CrystEngComm 28(15) (2026) 2403-2414
Space group: P -1
Cell volume: 1312.2
Cell parameters: 6.115; 13.583; 16.627; 103.56; 97.239; 97.781;  

COD ID: 7251680
CIF file Formula: - C40 H32 Mn N10 O7 -
Comments: Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media CrystEngComm 28(15) (2026) 2382-2392
Space group: P -1
Cell volume: 951.49
Cell parameters: 7.418; 10.464; 13.3907; 107.421; 103.868; 94.011;  

COD ID: 7251681
CIF file Formula: - C40 H31 Co N10 O6.5 -
Comments: Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media CrystEngComm 28(15) (2026) 2382-2392
Space group: P -1
Cell volume: 931.62
Cell parameters: 7.4337; 10.3464; 13.1723; 107.531; 103.41; 92.959;  

COD ID: 7251682
CIF file Formula: - C44 H36 Mn N6 O7 -
Comments: Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media CrystEngComm 28(15) (2026) 2382-2392
Space group: P -1
Cell volume: 981.4
Cell parameters: 7.5222; 10.5057; 13.4534; 105.481; 104.538; 93.879;  

COD ID: 7251686
CIF file Formula: - C16 H18 Mn N2 O12 S -
Comments: Maldonado, Igor A. V.; Fernandes, William S.; Cardozo, Thiago M.; Vaz, Maria G. F.; Cassaro, Rafael A. Allão Single molecule magnet behavior in bis-oxamate one-dimensional coordination polymers: the effect of magnetic dilution CrystEngComm 28(8) (2026) 1412-1421
Space group: C 1 2/c 1
Cell volume: 2197.1
Cell parameters: 20.2296; 5.0967; 21.5356; 90; 98.318; 90;  

COD ID: 7251687
CIF file Formula: - C16 H20 Co0.87 Cu0.13 N2 O13 S -
Comments: Maldonado, Igor A. V.; Fernandes, William S.; Cardozo, Thiago M.; Vaz, Maria G. F.; Cassaro, Rafael A. Allão Single molecule magnet behavior in bis-oxamate one-dimensional coordination polymers: the effect of magnetic dilution CrystEngComm 28(8) (2026) 1412-1421
Space group: C 1 2/c 1
Cell volume: 2116.1
Cell parameters: 19.8167; 5.0621; 21.336; 90; 98.625; 90;  

COD ID: 7251688
CIF file Formula: - C77 H130.2 O38.1 -
Comments: Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R. Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements CrystEngComm 28(5) (2026) 1019-1029
Space group: P 1 21 1
Cell volume: 4329.2
Cell parameters: 15.469; 17.297; 16.518; 90; 101.616; 90;  

COD ID: 7251689
CIF file Formula: - C148.4 H268 O85.6 -
Comments: Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R. Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements CrystEngComm 28(5) (2026) 1019-1029
Space group: P 1 21 1
Cell volume: 8634
Cell parameters: 14.1388; 30.448; 21.052; 90; 107.687; 90;  

COD ID: 7251702
CIF file Formula: - C131 H180 Br F6 N18 O18 S2 -
Comments: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan Guest-induced diverse self-assemblies of an oligopyrrole CrystEngComm 28(13) (2026) 2023-2028
Space group: P -1
Cell volume: 9235.9
Cell parameters: 19.2799; 21.1893; 24.3397; 94.007; 95.264; 110.225;  

COD ID: 7251703
CIF file Formula: - C43 H55 F3 N6 O11 S -
Comments: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan Guest-induced diverse self-assemblies of an oligopyrrole CrystEngComm 28(13) (2026) 2023-2028
Space group: P -1
Cell volume: 6201.1
Cell parameters: 17.5583; 17.8234; 20.47; 95.95; 92.33; 102.751;  

COD ID: 7251704
CIF file Formula: - C48 H66 F3 N6 O9 S -
Comments: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan Guest-induced diverse self-assemblies of an oligopyrrole CrystEngComm 28(13) (2026) 2023-2028
Space group: P -1
Cell volume: 5785
Cell parameters: 15.482; 17.588; 23.232; 73.27; 74.936; 77.737;  

COD ID: 7251705
CIF file Formula: - C131 H180 F6 I N18 O18 S2 -
Comments: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan Guest-induced diverse self-assemblies of an oligopyrrole CrystEngComm 28(13) (2026) 2023-2028
Space group: P -1
Cell volume: 8488.9
Cell parameters: 18.9098; 20.9683; 23.7373; 96.441; 97.288; 112.541;  

COD ID: 7251706
CIF file Formula: - C45 H63 F3 N6 O8 S -
Comments: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan Guest-induced diverse self-assemblies of an oligopyrrole CrystEngComm 28(13) (2026) 2023-2028
Space group: P -1
Cell volume: 2372.2
Cell parameters: 11.0234; 14.6125; 15.6272; 107.66; 97.768; 90.951;  

COD ID: 7251707
CIF file Formula: - C148 H217 F9 N18 O25 S3 -
Comments: Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan Guest-induced diverse self-assemblies of an oligopyrrole CrystEngComm 28(13) (2026) 2023-2028
Space group: P 1 21/c 1
Cell volume: 16766
Cell parameters: 31.191; 13.3642; 42.964; 90; 110.582; 90;  

COD ID: 7251766
CIF file Formula: - C22 H20.55 B2 Cl2 Fe N10 O12.27 -
Comments: Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M. Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties CrystEngComm 28(15) (2026) 2355-2363
Space group: C 1 2/c 1
Cell volume: 2867.4
Cell parameters: 22.6294; 9.8872; 15.745; 90; 125.515; 90;  

COD ID: 7251767
CIF file Formula: - C48 H76 B2 Cl2 Fe N10 O14 -
Comments: Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M. Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties CrystEngComm 28(15) (2026) 2355-2363
Space group: P 1 21/n 1
Cell volume: 6301.9
Cell parameters: 16.4968; 18.4483; 20.7114; 90; 91.181; 90;  

COD ID: 7251768
CIF file Formula: - C24 H24 B2 Cl2 Fe N10 O12 -
Comments: Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M. Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties CrystEngComm 28(15) (2026) 2355-2363
Space group: C 1 2/c 1
Cell volume: 3070.9
Cell parameters: 23.6479; 10.1118; 16.0253; 90; 126.737; 90;  

COD ID: 7251769
CIF file Formula: - C26 H28 B2 Cl2 Fe N10 O12 -
Comments: Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M. Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties CrystEngComm 28(15) (2026) 2355-2363
Space group: C 1 2/c 1
Cell volume: 3368
Cell parameters: 25.4259; 10.095; 16.2659; 90; 126.226; 90;  

COD ID: 7251777
CIF file Formula: - C114 H60 N6 S36 Zn10 -
Comments: Qin, Haihan; Hu, Jieying; Li, Jian-Rong; Jiang, Long; Chung, Lai-Hon; He, Jun From 3-fold to 6-fold: tuning interpenetration of Zn-triphenylenehexathiolate MOF through precursor hydration CrystEngComm 28(15) (2026) 2305-2310
Space group: P -1
Cell volume: 14480.9
Cell parameters: 20.8124; 24.2224; 31.0731; 112.136; 92.155; 91.899;  

COD ID: 7251788
CIF file Formula: - C32 H23 O P -
Comments: Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs CrystEngComm 28(15) (2026) 2455-2467
Space group: P 1 21/n 1
Cell volume: 2347.93
Cell parameters: 9.66347; 27.2681; 9.86176; 90; 115.374; 90;  

COD ID: 7251789
CIF file Formula: - C28 H19 O P -
Comments: Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs CrystEngComm 28(15) (2026) 2455-2467
Space group: P 1 21/c 1
Cell volume: 2044.87
Cell parameters: 9.88921; 23.15594; 8.93733; 90; 92.3493; 90;  

COD ID: 7251790
CIF file Formula: - C30 H19 O P -
Comments: Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs CrystEngComm 28(15) (2026) 2455-2467
Space group: P 1 21/c 1
Cell volume: 2159.89
Cell parameters: 9.90452; 19.8613; 11.16039; 90; 100.325; 90;  

COD ID: 7251791
CIF file Formula: - C30 H19 O P -
Comments: Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs CrystEngComm 28(15) (2026) 2455-2467
Space group: P 1 21/c 1
Cell volume: 2131.33
Cell parameters: 8.70743; 11.37805; 21.6228; 90; 95.787; 90;  

COD ID: 7251792
CIF file Formula: - C28 H19 O P -
Comments: Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs CrystEngComm 28(15) (2026) 2455-2467
Space group: P -1
Cell volume: 1073.3
Cell parameters: 9.8161; 10.1226; 11.6958; 109.508; 99.186; 93.455;  

COD ID: 7251793
CIF file Formula: - C34 H23 O P -
Comments: Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs CrystEngComm 28(15) (2026) 2455-2467
Space group: P 1 21/c 1
Cell volume: 2369.45
Cell parameters: 17.2834; 9.4529; 14.7171; 90; 99.788; 90;  

COD ID: 7251795
CIF file Formula: - C2 H6 Cd O7 -
Comments: Ahmed, Azaz; Ahmad, Musheer; Thakur, Chandrakant; Kumar, Astakala Anil; Lee, Nohyun; Haq, Nazrul; Siddiqui, Kafeel Ahmad NiS2-integrated Cd-oxalate MOF: a multifunctional platform for selective 2,4-D amine sensing and efficient NR/EBT photodegradation CrystEngComm 28(15) (2026) 2333-2354
Space group: P -1
Cell volume: 313.677
Cell parameters: 6.00275; 6.65883; 8.48721; 74.6832; 74.3039; 81.0102;  

COD ID: 7251797
CIF file Formula: - C48 H48 N8 O16 Ti4 -
Comments: Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties CrystEngComm 28(15) (2026) 2373-2381
Space group: P 1 21/n 1
Cell volume: 5429.8
Cell parameters: 12.1789; 34.017; 13.7034; 90; 106.976; 90;  

COD ID: 7251798
CIF file Formula: - C45 H95 N O24 Ti7 -
Comments: Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties CrystEngComm 28(15) (2026) 2373-2381
Space group: P -1
Cell volume: 3439
Cell parameters: 11.8028; 14.1791; 21.4908; 101.187; 99.125; 97.103;  

COD ID: 7251799
CIF file Formula: - C44 H44 N4 O18 Ti5 -
Comments: Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties CrystEngComm 28(15) (2026) 2373-2381
Space group: P -1
Cell volume: 2435.5
Cell parameters: 12.2092; 14.93; 14.963; 88.874; 70.367; 72.202;  

COD ID: 7251803
CIF file Formula: - C20 H24 Cl2 F4 N6 O8 Zr -
Comments: Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks CrystEngComm 28(14) (2026) 2120-2124
Space group: P -3 c 1
Cell volume: 7596.8
Cell parameters: 23.2456; 23.2456; 16.2338; 90; 90; 120;  

COD ID: 7251804
CIF file Formula: - C32 H16 Br8 N8 O16 Zr2 -
Comments: Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks CrystEngComm 28(14) (2026) 2120-2124
Space group: I 4/m c m
Cell volume: 4114
Cell parameters: 16.505; 16.505; 15.103; 90; 90; 90;  

COD ID: 7251805
CIF file Formula: - C22 H22 Cl6 N6 O10 Zr -
Comments: Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks CrystEngComm 28(14) (2026) 2120-2124
Space group: I b a m
Cell volume: 4037.5
Cell parameters: 15.3299; 17.5645; 14.9948; 90; 90; 90;  

COD ID: 7251806
CIF file Formula: - C21 H18 N6 O5 S -
Comments: Danks, Jacob; Rainer, Daniel N.; Hamza, Ahmed S.; Coles, Simon J.; Carter, Anthony B.; Benson, Joseph E. G. High-throughput co-former screening and structural elucidation using resonant acoustic mixing and 3D electron diffraction CrystEngComm 28(13) (2026) 2018-2022
Space group: P -1
Cell volume: 2178.6
Cell parameters: 8.1244; 10.3705; 26.277; 80.405; 86.616; 88.202;  

COD ID: 7251807
CIF file Formula: - C23 H20 N6 O5 S -
Comments: Danks, Jacob; Rainer, Daniel N.; Hamza, Ahmed S.; Coles, Simon J.; Carter, Anthony B.; Benson, Joseph E. G. High-throughput co-former screening and structural elucidation using resonant acoustic mixing and 3D electron diffraction CrystEngComm 28(13) (2026) 2018-2022
Space group: P 1 2/n 1
Cell volume: 2319.5
Cell parameters: 19.4997; 6.2871; 19.695; 90; 106.129; 90;  

COD ID: 7251818
CIF file Formula: - C17 H20 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P 1 21/n 1
Cell volume: 1784.69
Cell parameters: 16.736; 4.91439; 21.9254; 90; 98.24; 90;  

COD ID: 7251819
CIF file Formula: - C29 H37 N7 O8 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P 1 21/n 1
Cell volume: 3210.74
Cell parameters: 20.1578; 4.90086; 32.5043; 90; 90.875; 90;  

COD ID: 7251820
CIF file Formula: - C17 H20 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: C 1 2/c 1
Cell volume: 3484.7
Cell parameters: 24.8829; 6.1032; 23.3288; 90; 100.391; 90;  

COD ID: 7251821
CIF file Formula: - C15 H16 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P 1 21/n 1
Cell volume: 1521.34
Cell parameters: 12.5882; 5.1749; 23.3666; 90; 91.8814; 90;  

COD ID: 7251822
CIF file Formula: - C20 H26 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P -1
Cell volume: 992.29
Cell parameters: 6.42159; 12.65205; 13.02701; 76.6124; 75.8298; 80.7872;  

COD ID: 7251823
CIF file Formula: - C17 H20 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P -1
Cell volume: 892.97
Cell parameters: 6.15171; 12.3495; 12.6749; 73.875; 79.965; 76.405;  

COD ID: 7251824
CIF file Formula: - C16 H18 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P -1
Cell volume: 823.35
Cell parameters: 5.8059; 11.8005; 12.9057; 73.991; 78.882; 78.277;  

COD ID: 7251825
CIF file Formula: - C18 H22 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P -1
Cell volume: 945.96
Cell parameters: 6.21761; 12.5048; 12.7578; 79.345; 78.28; 80.4467;  

COD ID: 7251826
CIF file Formula: - C19 H24 N4 O5 -
Comments: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm 28(16) (2026) 2548-2559
Space group: P -1
Cell volume: 966.17
Cell parameters: 6.35274; 12.46903; 12.9378; 97.3653; 103.862; 99.5009;  

COD ID: 7251846
CIF file Formula: - C90 H80 Cu I Mn Mo6 N2 O26.75 P3 -
Comments: Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations CrystEngComm 28(16) (2026) 2535-2541
Space group: P -1
Cell volume: 4597.8
Cell parameters: 12.183; 19.984; 20.262; 83.979; 74.039; 75.983;  

COD ID: 7251847
CIF file Formula: - C96 H121 Cu I Mn Mo6 N17 O24 P2 -
Comments: Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations CrystEngComm 28(16) (2026) 2535-2541
Space group: P -1
Cell volume: 5803.3
Cell parameters: 16.838; 17.871; 20.708; 91.9; 100.406; 107.973;  

COD ID: 7251893
CIF file Formula: - C12 H12 F N7 O4 -
Comments: Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu Synthon-driven polymorphism in the favipiravir–theophylline cocrystal CrystEngComm 28(17) (2026) 2721-2735
Space group: P 1 21/n 1
Cell volume: 1409
Cell parameters: 13.346; 7.489; 14.808; 90; 107.83; 90;  

COD ID: 7251894
CIF file Formula: - C12 H12 F N7 O4 -
Comments: Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu Synthon-driven polymorphism in the favipiravir–theophylline cocrystal CrystEngComm 28(17) (2026) 2721-2735
Space group: P 1 21/c 1
Cell volume: 1432.4
Cell parameters: 7.228; 13.95; 14.273; 90; 95.548; 90;  

COD ID: 7251945
CIF file Formula: - C4 H9 N O -
Comments: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm 28(16) (2026) 2648-2657
Space group: P 1 21/c 1
Cell volume: 571.9
Cell parameters: 10.24; 6.055; 9.734; 90; 108.636; 90;  

COD ID: 7251946
CIF file Formula: - C5 H11 N O -
Comments: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm 28(16) (2026) 2648-2657
Space group: C 1 2/c 1
Cell volume: 1361.7
Cell parameters: 22.649; 6.262; 9.768; 90; 100.597; 90;  

COD ID: 7251947
CIF file Formula: - C10 H13 N O -
Comments: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm 28(16) (2026) 2648-2657
Space group: P 1 21/c 1
Cell volume: 879.1
Cell parameters: 14.598; 6.1587; 10.129; 90; 105.121; 90;  

COD ID: 7251948
CIF file Formula: - C10 H13 N O -
Comments: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm 28(16) (2026) 2648-2657
Space group: P 1 21/c 1
Cell volume: 891.8
Cell parameters: 16.333; 6.118; 8.926; 90; 90.79; 90;  

COD ID: 7251949
CIF file Formula: - C8 H17 N O -
Comments: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm 28(16) (2026) 2648-2657
Space group: P -1
Cell volume: 476.4
Cell parameters: 5.0331; 7.954; 12.55; 98.921; 101.549; 99.419;  

COD ID: 7251950
CIF file Formula: - C8 H9 N O -
Comments: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm 28(16) (2026) 2648-2657
Space group: C 1 2/c 1
Cell volume: 6047
Cell parameters: 19.433; 11.133; 27.951; 90; 90.386; 90;  


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