Crystallography Open Database

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Searching journal of publication like 'CrystEngComm' volume of publication is 27

COD ID: 1574143
CIF file Formula: - C28 H44 Cl N3 O6 -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P 1 21/n 1
Cell volume: 2945.15
Cell parameters: 16.3631; 10.4157; 17.9697; 90; 105.921; 90;  

COD ID: 1574144
CIF file Formula: - C28 H40 Br N3 O4 -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P 1 21/c 1
Cell volume: 2768.6
Cell parameters: 5.8177; 12.2664; 38.8851; 90; 93.872; 90;  

COD ID: 1574145
CIF file Formula: - C28 H41 N5 O10 -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P 1 21/n 1
Cell volume: 3049.8
Cell parameters: 8.733; 10.044; 34.856; 90; 94.022; 90;  

COD ID: 1574146
CIF file Formula: - C30 H48 N3 O9 P -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P -1
Cell volume: 1622.8
Cell parameters: 8.9527; 11.559; 16.499; 100.869; 100.793; 97.455;  

COD ID: 1574147
CIF file Formula: - C28 H46 Cl N3 O7 -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P 1 21 1
Cell volume: 1517.78
Cell parameters: 9.2405; 12.572; 13.1588; 90; 96.847; 90;  

COD ID: 1574148
CIF file Formula: - C28 H47 N3 O15 S2 -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P 1 21/c 1
Cell volume: 3478.5
Cell parameters: 11.8559; 34.775; 8.4372; 90; 90.259; 90;  

COD ID: 1574149
CIF file Formula: - C56 H84 Cl N6 O13 P -
Comments: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm 27(15) (2025) 2317-2332
Space group: P -1
Cell volume: 2894.2
Cell parameters: 12.5749; 14.8653; 16.1941; 82.653; 80.4795; 76.8419;  

COD ID: 1574556
CIF file Formula: - C14 H9 N3 O6 Se -
Comments: Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm 27(21) (2025) 3439-3443
Space group: P 1 2/c 1
Cell volume: 734.38
Cell parameters: 11.3555; 9.1502; 7.1692; 90; 99.648; 90;  

COD ID: 1574557
CIF file Formula: - C12 H8 N2 O4 S Se -
Comments: Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm 27(21) (2025) 3439-3443
Space group: P 1 21/c 1
Cell volume: 1358.7
Cell parameters: 3.8144; 22.357; 15.964; 90; 93.581; 90;  

COD ID: 1574558
CIF file Formula: - C14 H9 Br N2 O4 Se -
Comments: Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm 27(21) (2025) 3439-3443
Space group: P 1 2/c 1
Cell volume: 747
Cell parameters: 11.154; 9.184; 7.3865; 90; 99.177; 90;  

COD ID: 1574559
CIF file Formula: - C14 H11 N3 O4 Se -
Comments: Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm 27(21) (2025) 3439-3443
Space group: P 1 21/m 1
Cell volume: 702.83
Cell parameters: 6.8417; 12.3348; 8.5209; 90; 102.207; 90;  

COD ID: 1574560
CIF file Formula: - C15 H12 N2 O4 Se -
Comments: Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm 27(21) (2025) 3439-3443
Space group: P 1 21/m 1
Cell volume: 737.94
Cell parameters: 7.4596; 12.3445; 8.6525; 90; 112.155; 90;  

COD ID: 1574561
CIF file Formula: - C11 H6 Br N O4 Se0.5 -
Comments: Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm 27(21) (2025) 3439-3443
Space group: P 1 21/m 1
Cell volume: 1131.38
Cell parameters: 3.8992; 37.6399; 7.7471; 90; 95.702; 90;  

COD ID: 1574562
CIF file Formula: - C24 H25 Cl N2 O7 -
Comments: Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm 27(20) (2025) 3214-3218
Space group: P 1 21/n 1
Cell volume: 2319.99
Cell parameters: 14.6695; 8.4232; 19.7536; 90; 108.105; 90;  

COD ID: 1574563
CIF file Formula: - C49.75 H61.3 Cl3 K N4 O18.15 -
Comments: Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm 27(20) (2025) 3214-3218
Space group: P -1
Cell volume: 2772.69
Cell parameters: 12.0536; 14.4733; 17.464; 90.685; 105.563; 108.209;  

COD ID: 1574564
CIF file Formula: - C48 H56 Cl3 K N4 O19.6 -
Comments: Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm 27(20) (2025) 3214-3218
Space group: P 1 21/n 1
Cell volume: 5563.2
Cell parameters: 15.1444; 23.9026; 15.8158; 90; 103.663; 90;  

COD ID: 1575111
CIF file Formula: - C38 H62 N4 O15 Zn4 -
Comments: Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm 27(33) (2025) 5583-5594
Space group: C 1 c 1
Cell volume: 2414.6
Cell parameters: 12.6715; 14.3504; 14.5469; 90; 114.102; 90;  

COD ID: 1575112
CIF file Formula: - C18 H27 Br N2 O7 Zn2 -
Comments: Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm 27(33) (2025) 5583-5594
Space group: P 1 21/n 1
Cell volume: 2322.6
Cell parameters: 9.483; 19.78; 13.087; 90; 108.89; 90;  

COD ID: 1575113
CIF file Formula: - C18 H27 Cl N2 O7 Zn2 -
Comments: Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm 27(33) (2025) 5583-5594
Space group: P 1 21/n 1
Cell volume: 2255.4
Cell parameters: 9.4593; 19.398; 12.964; 90; 108.532; 90;  

COD ID: 1575258
CIF file Formula: - C28 H31 N O11 -
Comments: Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm 27(35) (2025) 5901-5917
Space group: P 1 21/c 1
Cell volume: 2505.94
Cell parameters: 10.507; 10.7999; 22.6843; 90; 103.214; 90;  

COD ID: 1575259
CIF file Formula: - C90 H80 N2 O21 S -
Comments: Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm 27(35) (2025) 5901-5917
Space group: P 1 21/c 1
Cell volume: 7500
Cell parameters: 24.428; 13.7192; 22.38; 90; 90.459; 90;  

COD ID: 1575260
CIF file Formula: - C28 H30 Cl N O9 -
Comments: Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm 27(35) (2025) 5901-5917
Space group: P 1 21/n 1
Cell volume: 2630.56
Cell parameters: 8.3964; 28.9669; 11.1056; 90; 103.121; 90;  

COD ID: 1575370
CIF file Formula: - C23 H32 F3 N5 O4 -
Comments: Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm 27(36) (2025) 6009-6018
Space group: P 21 21 21
Cell volume: 2618
Cell parameters: 9.6872; 15.0069; 18.0085; 90; 90; 90;  

COD ID: 1575371
CIF file Formula: - C23 H32 F3 N5 O4 -
Comments: Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm 27(36) (2025) 6009-6018
Space group: P 21 21 21
Cell volume: 2549.2
Cell parameters: 9.2453; 15.1879; 18.1544; 90; 90; 90;  

COD ID: 1575372
CIF file Formula: - C23 H32 F3 N5 O4 -
Comments: Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm 27(36) (2025) 6009-6018
Space group: P 21 21 21
Cell volume: 2508.04
Cell parameters: 9.2125; 15.0829; 18.0498; 90; 90; 90;  

COD ID: 1575373
CIF file Formula: - C23 H32 F3 N5 O4 -
Comments: Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm 27(36) (2025) 6009-6018
Space group: P 21 21 21
Cell volume: 2622.5
Cell parameters: 9.6828; 15.0274; 18.0229; 90; 90; 90;  

COD ID: 1575374
CIF file Formula: - C23 H32 F3 N5 O4 -
Comments: Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm 27(36) (2025) 6009-6018
Space group: P 21 21 21
Cell volume: 2532.8
Cell parameters: 9.2308; 15.1453; 18.117; 90; 90; 90;  

COD ID: 1575375
CIF file Formula: - C221 H233 Co12 N23 O79 -
Comments: Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies CrystEngComm 27(34) (2025) 5714-5734
Space group: P 1 21/c 1
Cell volume: 6230.4
Cell parameters: 25.5409; 13.6195; 17.9158; 90; 91.346; 90;  

COD ID: 1575376
CIF file Formula: - C60 H62 N6 O18 Zn3 -
Comments: Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies CrystEngComm 27(34) (2025) 5714-5734
Space group: P 1 21/n 1
Cell volume: 6051.1
Cell parameters: 16.284; 15.365; 25.03; 90; 104.932; 90;  

COD ID: 1575411
CIF file Formula: - C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2570.36
Cell parameters: 13.6984; 13.7841; 14.6009; 85.913; 71.484; 79.521;  

COD ID: 1575412
CIF file Formula: - C24.4 H13.6 Cl0.8 F4.8 P0.79 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2610.01
Cell parameters: 13.754; 13.8852; 14.6689; 71.394; 86.012; 79.459;  

COD ID: 1575413
CIF file Formula: - C26 H15.33 Cl1.33 O2.67 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 1533.07
Cell parameters: 10.363; 10.4488; 15.7822; 101.434; 108.011; 101.058;  

COD ID: 1575414
CIF file Formula: - C24.4 H14 Br0.4 F4.8 P0.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2642.16
Cell parameters: 13.6133; 14.2244; 14.7406; 70.481; 86.305; 79.14;  

COD ID: 1575415
CIF file Formula: - C26 H15.33 Cl1.33 O2.67 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 1557.65
Cell parameters: 10.4433; 10.5181; 15.794; 101.595; 107.772; 101.056;  

COD ID: 1575416
CIF file Formula: - C24.4 H14 As0.8 Cl0.4 F4.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2576.71
Cell parameters: 13.6644; 13.9317; 14.6414; 70.477; 85.804; 78.781;  

COD ID: 1575417
CIF file Formula: - C61 H35 Br F12 P2 S5 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2596.24
Cell parameters: 13.5769; 14.0578; 14.6788; 70.715; 85.976; 79.057;  

COD ID: 1575418
CIF file Formula: - C24.4 H14 Br0.4 F4.8 P0.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2556.85
Cell parameters: 13.5317; 13.9267; 14.6385; 70.766; 85.742; 79.027;  

COD ID: 1575419
CIF file Formula: - C26 H15.33 Cl1.33 O2.67 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 1584.41
Cell parameters: 10.5374; 10.58339; 15.829; 101.905; 107.322; 101.385;  

COD ID: 1575420
CIF file Formula: - C26 H15.33 Cl0.67 F4 P0.67 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 1615.72
Cell parameters: 10.5925; 10.7783; 15.8611; 103.313; 105.912; 102.66;  

COD ID: 1575421
CIF file Formula: - C26 H15.33 Cl0.67 F4 P0.67 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 1589.57
Cell parameters: 10.5204; 10.7353; 15.743; 103.036; 105.912; 102.613;  

COD ID: 1575422
CIF file Formula: - C26 H15.33 Cl0.67 F4 P0.67 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 1643.51
Cell parameters: 10.6725; 10.8448; 15.9759; 103.766; 105.661; 103.1;  

COD ID: 1575423
CIF file Formula: - C24.4 H14 As0.8 Cl0.4 F4.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2617.61
Cell parameters: 13.6803; 14.078; 14.7274; 70.167; 85.807; 78.842;  

COD ID: 1575424
CIF file Formula: - C24.4 H14 As0.8 Cl0.4 F4.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2660.82
Cell parameters: 13.6804; 14.2592; 14.8005; 69.962; 85.719; 78.822;  

COD ID: 1575425
CIF file Formula: - C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 2652.07
Cell parameters: 13.7529; 14.0651; 14.7342; 71.18; 86.156; 79.453;  

COD ID: 1575426
CIF file Formula: - C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 5212.2
Cell parameters: 14.7753; 17.2538; 21.4333; 89.627; 73.391; 84.665;  

COD ID: 1575427
CIF file Formula: - C122 H70 Cl2 F24 S10 Sb4 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 5303.93
Cell parameters: 14.8806; 17.3774; 21.5631; 88.976; 72.889; 84.464;  

COD ID: 1575428
CIF file Formula: - C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -
Comments: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm 27(38) (2025) 6333-6340
Space group: P -1
Cell volume: 5396.74
Cell parameters: 14.9609; 17.5144; 21.7009; 88.523; 72.579; 84.107;  

COD ID: 1575429
CIF file Formula: - C40 H28 N2 O4 -
Comments: Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights CrystEngComm 27(37) (2025) 6184-6192
Space group: P -1
Cell volume: 1452.1
Cell parameters: 6.8429; 12.8769; 17.6451; 106.325; 99.108; 96.639;  

COD ID: 1575430
CIF file Formula: - C20 H14 N O2 -
Comments: Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights CrystEngComm 27(37) (2025) 6184-6192
Space group: C 1 2/c 1
Cell volume: 2903.4
Cell parameters: 23.3375; 10.3912; 12.0372; 90; 95.933; 90;  

COD ID: 1575431
CIF file Formula: - C40 H26 F2 N3 -
Comments: Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals CrystEngComm 27(38) (2025) 6303-6313
Space group: P -1
Cell volume: 1509.4
Cell parameters: 8.7484; 13.5215; 13.7453; 73.799; 75.94; 81.67;  

COD ID: 1575432
CIF file Formula: - C27 H15 F4 N3 -
Comments: Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals CrystEngComm 27(38) (2025) 6303-6313
Space group: C 1 2/c 1
Cell volume: 2186
Cell parameters: 15.571; 12.724; 13.505; 90; 125.2; 90;  

COD ID: 1575493
CIF file Formula: - C22 H17 I5 N2 S2 -
Comments: Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm 27(38) (2025) 6283-6294
Space group: C 1 2/c 1
Cell volume: 2360.3
Cell parameters: 13.1949; 10.1933; 17.92; 90; 101.678; 90;  

COD ID: 1575494
CIF file Formula: - C22 H17 I5 N2 S2 -
Comments: Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm 27(38) (2025) 6283-6294
Space group: C 1 2/c 1
Cell volume: 2284.8
Cell parameters: 13.1052; 10.1023; 17.643; 90; 102; 90;  

COD ID: 1575495
CIF file Formula: - C22 H17 I5 N2 S2 -
Comments: Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm 27(38) (2025) 6283-6294
Space group: C 1 2/c 1
Cell volume: 2404.9
Cell parameters: 13.2397; 10.27; 18.056; 90; 101.603; 90;  

COD ID: 1575496
CIF file Formula: - C22 H18 I5 N2 S2 -
Comments: Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm 27(38) (2025) 6283-6294
Space group: C 1 2/c 1
Cell volume: 2666.1
Cell parameters: 13.3167; 11.0072; 18.382; 90; 98.32; 90;  

COD ID: 1575497
CIF file Formula: - C22 H17 I5 N2 S2 -
Comments: Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm 27(38) (2025) 6283-6294
Space group: C 1 2/c 1
Cell volume: 2500.5
Cell parameters: 13.1291; 10.7512; 17.97; 90; 99.674; 90;  

COD ID: 1575498
CIF file Formula: - C22 H17 I5 N2 S2 -
Comments: Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm 27(38) (2025) 6283-6294
Space group: C 1 2/c 1
Cell volume: 2565.8
Cell parameters: 13.1989; 10.8516; 18.127; 90; 98.788; 90;  

COD ID: 1575499
CIF file Formula: - C26 H18 N4 O9 -
Comments: Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm 27(36) (2025) 5971-5982
Space group: P 1 21/c 1
Cell volume: 2356.2
Cell parameters: 8.7103; 7.0222; 38.587; 90; 93.329; 90;  

COD ID: 1575500
CIF file Formula: - C46 H33 N5 O12 -
Comments: Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm 27(36) (2025) 5971-5982
Space group: P -1
Cell volume: 1017.86
Cell parameters: 10.0194; 10.189; 10.6551; 98.069; 92.813; 108.239;  

COD ID: 1575501
CIF file Formula: - C26 H18 N4 O9 -
Comments: Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm 27(36) (2025) 5971-5982
Space group: P 1 21/c 1
Cell volume: 2335.9
Cell parameters: 12.7283; 24.2867; 7.7022; 90; 101.17; 90;  

COD ID: 1575502
CIF file Formula: - C26 H18 N4 O9 -
Comments: Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm 27(36) (2025) 5971-5982
Space group: P 1 21/n 1
Cell volume: 2330.6
Cell parameters: 12.7859; 7.2453; 25.434; 90; 98.451; 90;  

COD ID: 1575622
CIF file Formula: - C46 H48 N4 O10 Zn -
Comments: Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization CrystEngComm 27(40) (2025) 6630-6638
Space group: P 1 21/n 1
Cell volume: 2114.62
Cell parameters: 11.6044; 10.6205; 17.1687; 90; 92.03; 90;  

COD ID: 1575623
CIF file Formula: - C46 H44 N4 O8 Zn -
Comments: Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization CrystEngComm 27(40) (2025) 6630-6638
Space group: P 1 21/n 1
Cell volume: 2110.84
Cell parameters: 15.6121; 7.9358; 17.1539; 90; 96.681; 90;  

COD ID: 1575681
CIF file Formula: - C12 H24 I6 N2 O2 Pb2 -
Comments: Jung, Mi-Hee Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites CrystEngComm 27(40) (2025) 6660-6671
Space group: C 1 2/c 1
Cell volume: 3517.9
Cell parameters: 45.752; 8.828; 8.837; 90; 99.73; 90;  

COD ID: 1575682
CIF file Formula: - C30 H78 I21 N6 O6 Pb6 -
Comments: Jung, Mi-Hee Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites CrystEngComm 27(40) (2025) 6660-6671
Space group: P n m a
Cell volume: 10027
Cell parameters: 21.235; 54; 8.744; 90; 90; 90;  

COD ID: 1575742
CIF file Formula: - C101 H132.56 N12 O40.28 S6 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: P -1
Cell volume: 5602
Cell parameters: 12.3629; 16.5072; 28.5794; 85.914; 85.67; 74.715;  

COD ID: 1575743
CIF file Formula: - C72 H96 N8 O28 S4 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: I 1 2/a 1
Cell volume: 7797
Cell parameters: 25.024; 13.519; 24.37; 90; 108.954; 90;  

COD ID: 1575744
CIF file Formula: - C270 H412 N32 O136 S16 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: C 1 2/c 1
Cell volume: 66274
Cell parameters: 34.1908; 41.4283; 46.991; 90; 95.325; 90;  

COD ID: 1575745
CIF file Formula: - C216 H286 N24 O77 S12 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: P 1 21/c 1
Cell volume: 22589.1
Cell parameters: 23.6106; 30.3731; 31.5092; 90; 91.424; 90;  

COD ID: 1575746
CIF file Formula: - C270 H380.48 N32 O120.24 S16 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: C 1 2/c 1
Cell volume: 66274
Cell parameters: 34.1908; 41.4283; 46.991; 90; 95.325; 90;  

COD ID: 1575747
CIF file Formula: - C269 H376.42 N32 O119.22 S16 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: C 1 2/c 1
Cell volume: 65588.7
Cell parameters: 33.9061; 41.7359; 46.4819; 90; 94.332; 90;  

COD ID: 1575748
CIF file Formula: - C268 H396.58 N32 O130.29 S16 -
Comments: Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm 27(40) (2025) 6611-6622
Space group: C 1 2/c 1
Cell volume: 65588.7
Cell parameters: 33.9061; 41.7359; 46.4819; 90; 94.332; 90;  

COD ID: 1575749
CIF file Formula: - C66 H58 Cd2 N9 O18 P3 -
Comments: Özcan, Elif; Zorlu, Yunus Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity CrystEngComm 27(42) (2025) 6913-6925
Space group: P 1 21 1
Cell volume: 3529
Cell parameters: 10.873; 9.425; 34.44; 90; 90.06; 90;  

COD ID: 1575750
CIF file Formula: - C52 H44 N3 O22 P3 -
Comments: Özcan, Elif; Zorlu, Yunus Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity CrystEngComm 27(42) (2025) 6913-6925
Space group: C 1 2 1
Cell volume: 5916.1
Cell parameters: 19.246; 15.706; 19.572; 90; 90.189; 90;  

COD ID: 1575751
CIF file Formula: - C77 H71 Cd2 N10 O20 P3 -
Comments: Özcan, Elif; Zorlu, Yunus Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity CrystEngComm 27(42) (2025) 6913-6925
Space group: P -1
Cell volume: 3874
Cell parameters: 12.229; 17.228; 19.403; 75.499; 78.521; 84.495;  

COD ID: 1575752
CIF file Formula: - C51 H74 Cl2 N4 O2 -
Comments: Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state CrystEngComm 27(39) (2025) 6508-6522
Space group: P -1
Cell volume: 2627.18
Cell parameters: 12.6939; 13.0267; 18.5039; 84.192; 76.836; 61.861;  

COD ID: 1575753
CIF file Formula: - C13 H8 F4 N2 O -
Comments: Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state CrystEngComm 27(39) (2025) 6508-6522
Space group: P 1 21/n 1
Cell volume: 2466.05
Cell parameters: 7.576; 23.9624; 13.8352; 90; 100.932; 90;  

COD ID: 7249460
CIF file Formula: - C22 H17 F4 N O -
Comments: Sakshi,; Gupta, Yogita; Robertson, Craig M.; Munshi, Parthapratim; Roy Choudhury, Angshuman Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses CrystEngComm 27(4) (2025) 478-487
Space group: I 1 2/a 1
Cell volume: 3504.71
Cell parameters: 16.07317; 6.24689; 35.5828; 90; 101.201; 90;  

COD ID: 7249599
CIF file Formula: - C6 H6 F3 N5 O4 -
Comments: Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua 3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as an insensitive and thermostable energetic melt-castable material CrystEngComm 27(1) (2025) 8-12
Space group: P c a 21
Cell volume: 2104.96
Cell parameters: 11.6467; 5.656; 31.9545; 90; 90; 90;  

COD ID: 7249601
CIF file Formula: - C11 H8 Hg O3 S -
Comments: Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers CrystEngComm 27(1) (2025) 64-80
Space group: C 1 c 1
Cell volume: 2351.78
Cell parameters: 12.7721; 9.5804; 19.5867; 90; 101.106; 90;  

COD ID: 7249602
CIF file Formula: - C12 H10 Hg O3 S -
Comments: Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers CrystEngComm 27(1) (2025) 64-80
Space group: P -1
Cell volume: 660.9
Cell parameters: 6.112; 7.8713; 14.3546; 101.423; 102.236; 90.002;  

COD ID: 7249622
CIF file Formula: - C33.05 H56.45 O2 -
Comments: Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong Structure features of a supramolecular organic framework self-assembled from a chiral natural compound CrystEngComm 27(3) (2025) 297-301
Space group: P 64
Cell volume: 6449.5
Cell parameters: 32.329; 32.329; 7.1254; 90; 90; 120;  

COD ID: 7249623
CIF file Formula: - C42 H50 Cu3 N8 O12 -
Comments: Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid CrystEngComm 27(2) (2025) 164-175
Space group: P -1
Cell volume: 1174.6
Cell parameters: 10.201; 10.349; 11.762; 86.291; 74.948; 78.418;  

COD ID: 7249624
CIF file Formula: - C24 H20 Cu N8 O3 -
Comments: Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid CrystEngComm 27(2) (2025) 164-175
Space group: P -1
Cell volume: 1157.5
Cell parameters: 8.7721; 11.1218; 13.0204; 91.724; 107.466; 105.767;  

COD ID: 7249625
CIF file Formula: - C21 H28 Cu N4 O7 -
Comments: Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A. Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid CrystEngComm 27(2) (2025) 164-175
Space group: P -1
Cell volume: 1141.81
Cell parameters: 5.1202; 7.4808; 30.0866; 94.0667; 92.6734; 95.8618;  

COD ID: 7249627
CIF file Formula: - C27 H28 N4 O2 S -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P 1 21/n 1
Cell volume: 2478.5
Cell parameters: 15.043; 7.2223; 23.229; 90; 100.863; 90;  

COD ID: 7249628
CIF file Formula: - C22 H15 Cl2 N3 S -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P 1 21/n 1
Cell volume: 1936
Cell parameters: 3.968; 19.46; 25.084; 90; 91.79; 90;  

COD ID: 7249629
CIF file Formula: - C46 H30 Cl10 N6 S2 Zn -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: C 1 2/c 1
Cell volume: 5106
Cell parameters: 24.961; 17.276; 14.02; 90; 122.367; 90;  

COD ID: 7249630
CIF file Formula: - C52 H50 N8 O4 S2 Zn -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: C 1 2/c 1
Cell volume: 4855.2
Cell parameters: 31.105; 9.3163; 19.108; 90; 118.737; 90;  

COD ID: 7249631
CIF file Formula: - C46.2 H30.2 Cl10.6 N6 S2 Zn -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P -1
Cell volume: 2599
Cell parameters: 9.909; 15.867; 18.059; 105.037; 97.95; 103.998;  

COD ID: 7249632
CIF file Formula: - C55 H57 N9 O5 S2 Zn -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P -1
Cell volume: 2665.6
Cell parameters: 8.74; 16.268; 18.987; 83.243; 85.719; 85.156;  

COD ID: 7249633
CIF file Formula: - C23 H19 N3 O S -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P b c a
Cell volume: 3771.2
Cell parameters: 8.1754; 19.3485; 23.8411; 90; 90; 90;  

COD ID: 7249634
CIF file Formula: - C46 H30 Cl10 N6 S2 Zn -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P c c n
Cell volume: 4806.1
Cell parameters: 25.202; 9.4183; 20.248; 90; 90; 90;  

COD ID: 7249635
CIF file Formula: - C22 H15 Cl2 N3 S -
Comments: Nath, Jitendra; Baruah, Jubaraj B. Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates CrystEngComm 27(1) (2025) 46-54
Space group: P 21 21 21
Cell volume: 1888.6
Cell parameters: 4.4462; 18.662; 22.7605; 90; 90; 90;  

COD ID: 7249638
CIF file Formula: - B4 Cr3 Ho O12 -
Comments: Moshkina, Evgeniya; Mikhashenok, Natalya; Kokh, Dieter; Pavlovskiy, Maxim; Cherepakhin, Alexander; Eremin, Evgeniy; Zolotov, Andrey; Molokeev, Maxim Study of flux growth of Cr-containing borates and oxyborates under the conditions of low Cr2O3 solubility CrystEngComm 27(2) (2025) 226-237
Space group: C 1 2/c 1
Cell volume: 770.59
Cell parameters: 7.37282; 9.47074; 11.36393; 90; 103.801; 90;  

COD ID: 7249640
CIF file Formula: - C25 H18 F3 N5 O3 -
Comments: Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID CrystEngComm 27(2) (2025) 138-145
Space group: P -1
Cell volume: 1130.01
Cell parameters: 10.7282; 10.7734; 11.9845; 85.55; 65.237; 64.849;  

COD ID: 7249641
CIF file Formula: - C19 H15 N3 O4 -
Comments: Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID CrystEngComm 27(2) (2025) 138-145
Space group: P 1 21/c 1
Cell volume: 1695.68
Cell parameters: 8.012; 16.7621; 12.6282; 90; 91.0102; 90;  

COD ID: 7249642
CIF file Formula: - C26 H23 N3 O5 -
Comments: Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID CrystEngComm 27(2) (2025) 138-145
Space group: P 1 21/c 1
Cell volume: 4656.1
Cell parameters: 12.1866; 14.7266; 26.278; 90; 99.145; 90;  

COD ID: 7249643
CIF file Formula: - C18 H32 Cu2 N8 O10 -
Comments: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm 27(3) (2025) 356-365
Space group: P 31 2 1
Cell volume: 1947.03
Cell parameters: 8.56884; 8.56884; 30.61946; 90; 90; 120;  

COD ID: 7249644
CIF file Formula: - C18 H32 Cu2 N8 O10 -
Comments: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm 27(3) (2025) 356-365
Space group: P 31 2 1
Cell volume: 1967.22
Cell parameters: 8.61755; 8.61755; 30.5882; 90; 90; 120;  

COD ID: 7249645
CIF file Formula: - C19.41 H30.22 Cu2 N8 O8.59 -
Comments: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm 27(3) (2025) 356-365
Space group: I 2 2 2
Cell volume: 3380.42
Cell parameters: 12.0896; 20.35323; 13.73806; 90; 90; 90;  

COD ID: 7249646
CIF file Formula: - C18 H26 Cu2 N8 O7 -
Comments: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm 27(3) (2025) 356-365
Space group: P 31 2 1
Cell volume: 1843.5
Cell parameters: 8.3611; 8.3611; 30.45; 90; 90; 120;  

COD ID: 7249647
CIF file Formula: - C18 H28 Cu2 N8 O8 -
Comments: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm 27(3) (2025) 356-365
Space group: I 2 2 2
Cell volume: 3439.32
Cell parameters: 12.09436; 13.9509; 20.3839; 90; 90; 90;  

COD ID: 7249648
CIF file Formula: - C25.5 H54 Cu2 N8 O13.5 -
Comments: Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm 27(3) (2025) 356-365
Space group: P 31 2 1
Cell volume: 5638
Cell parameters: 13.3717; 13.3717; 36.41; 90; 90; 120;  

COD ID: 7249650
CIF file Formula: - C5 H3 K N O3 -
Comments: Simosono, Cintia A.; Flores, Leonã S.; Simões, Tatiana R. G.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology CrystEngComm 27(2) (2025) 176-183
Space group: P n m a
Cell volume: 1214.86
Cell parameters: 7.2425; 26.0431; 6.4409; 90; 90; 90;  

COD ID: 7249652
CIF file Formula: - C10 H18 Cu I3 N4 -
Comments: Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures CrystEngComm 27(1) (2025) 38-45
Space group: C 1 2/c 1
Cell volume: 1873.7
Cell parameters: 8.1644; 14.9055; 15.8041; 90; 103.034; 90;  

COD ID: 7249653
CIF file Formula: - C60 H32 N6 O16 S3 Tb3 -
Comments: Xu, Shi-Xian; Lu, Na; Wang, Li; Liu, Sui-Jun Chain-based fluorescent TbIII metal–organic framework with good stability as a blue-shift and turn-on sensor toward H2PO4− CrystEngComm 27(3) (2025) 415-420
Space group: P -1
Cell volume: 3018.7
Cell parameters: 8.7857; 18.8668; 20.7919; 113.758; 95.709; 102.086;  

COD ID: 7249654
CIF file Formula: - C22 H6 N16 O16 -
Comments: Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S. Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials CrystEngComm 27(3) (2025) 386-399
Space group: P 1 21/n 1
Cell volume: 2738.38
Cell parameters: 6.514; 32.543; 12.9337; 90; 92.843; 90;  

COD ID: 7249655
CIF file Formula: - C18 H8 N14 O9 -
Comments: Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S. Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials CrystEngComm 27(3) (2025) 386-399
Space group: P -1
Cell volume: 1045.86
Cell parameters: 7.5638; 9.2989; 15.196; 93.97; 92.746; 100.653;  

COD ID: 7249656
CIF file Formula: - C31 H24 Cd2 N9 O8 -
Comments: Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance CrystEngComm 27(3) (2025) 325-336
Space group: P -1
Cell volume: 1433.78
Cell parameters: 7.6589; 8.3363; 22.852; 96.08; 94.163; 97.24;  

COD ID: 7249657
CIF file Formula: - C24.5 H19 Cd N9 O5.5 -
Comments: Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance CrystEngComm 27(3) (2025) 325-336
Space group: C 1 2/c 1
Cell volume: 4852.3
Cell parameters: 28.303; 11.5779; 18.807; 90; 128.062; 90;  

COD ID: 7249658
CIF file Formula: - C49 H38.5 Cd2 Cl0.5 N18 O11 -
Comments: Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance CrystEngComm 27(3) (2025) 325-336
Space group: P -1
Cell volume: 2467.4
Cell parameters: 12.7084; 14.097; 14.426; 82.747; 83.256; 75.061;  

COD ID: 7249659
CIF file Formula: - C11 H14 N4 O3 -
Comments: Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao Chiral-driven formation of hybrid cyanurates with large birefringence CrystEngComm 27(1) (2025) 30-37
Space group: P 1 21/c 1
Cell volume: 1209.84
Cell parameters: 15.9636; 6.6463; 11.5269; 90; 98.41; 90;  

COD ID: 7249660
CIF file Formula: - C11 H14 N4 O3 -
Comments: Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao Chiral-driven formation of hybrid cyanurates with large birefringence CrystEngComm 27(1) (2025) 30-37
Space group: P 1 21 1
Cell volume: 1205.29
Cell parameters: 7.8402; 12.4111; 12.473; 90; 96.746; 90;  

COD ID: 7249661
CIF file Formula: - C11 H14 N4 O3 -
Comments: Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao Chiral-driven formation of hybrid cyanurates with large birefringence CrystEngComm 27(1) (2025) 30-37
Space group: P 1 21 1
Cell volume: 1204.76
Cell parameters: 7.8401; 12.4094; 12.4685; 90; 96.71; 90;  

COD ID: 7249663
CIF file Formula: - C18 H30 N14 S6 -
Comments: Yan, Wenjin; Wang, Tianwei; Hu, Yingxin; Chen, Longming; Wang, Peng; Pang, Chaoran; Lu, Rongwen; Zhang, Shufen Two stacking types of three-dimensional cocrystal structures based on multiple hydrogen bonds CrystEngComm 27(2) (2025) 269-276
Space group: P 63 m c
Cell volume: 1326.6
Cell parameters: 9.6534; 9.6534; 16.438; 90; 90; 120;  

COD ID: 7249664
CIF file Formula: - C83 H101 Cl6 N O28 Pb2 S8 -
Comments: Kim, Seulgi; Ju, Kyunghye; Kim, Taehun; Park, In-Hyeok An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(ii) complex via an endo/exo-coordination mode CrystEngComm 27(11) (2025) 1529-1533
Space group: P 1 21/n 1
Cell volume: 4795.4
Cell parameters: 15.4259; 21.5068; 15.6995; 90; 112.973; 90;  

COD ID: 7249665
CIF file Formula: - C8 H3 Br N4 O3 -
Comments: Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B. R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides CrystEngComm 27(3) (2025) 372-385
Space group: P 1 21/n 1
Cell volume: 892.941
Cell parameters: 6.1429; 8.10668; 17.96048; 90; 93.279; 90;  

COD ID: 7249666
CIF file Formula: - C8 H3 Br N4 O3 -
Comments: Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B. R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides CrystEngComm 27(3) (2025) 372-385
Space group: P 1 21/n 1
Cell volume: 915.87
Cell parameters: 8.6295; 6.38437; 16.6319; 90; 91.796; 90;  

COD ID: 7249667
CIF file Formula: - C8 H3 F N4 O3 -
Comments: Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B. R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides CrystEngComm 27(3) (2025) 372-385
Space group: P 1 21 1
Cell volume: 407.048
Cell parameters: 8.14289; 5.60083; 9.26194; 90; 105.499; 90;  

COD ID: 7249668
CIF file Formula: - C9 H6 N4 O2 -
Comments: Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B. R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides CrystEngComm 27(3) (2025) 372-385
Space group: P 1 21/m 1
Cell volume: 420.91
Cell parameters: 8.2076; 6.3054; 8.5808; 90; 108.588; 90;  

COD ID: 7249669
CIF file Formula: - C9 H6 N4 O3 -
Comments: Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B. R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides CrystEngComm 27(3) (2025) 372-385
Space group: P -1
Cell volume: 440.931
Cell parameters: 5.89689; 8.54466; 9.10721; 77.3481; 87.0582; 80.0249;  

COD ID: 7249670
CIF file Formula: - C43 H59 B2 Co Fe2 N25 O9 -
Comments: Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue CrystEngComm 27(3) (2025) 407-414
Space group: P -1
Cell volume: 2875.96
Cell parameters: 11.5164; 16.3636; 16.3579; 75.334; 83.411; 74.951;  

COD ID: 7249671
CIF file Formula: - C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -
Comments: Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue CrystEngComm 27(3) (2025) 407-414
Space group: P -1
Cell volume: 1804.5
Cell parameters: 10.9427; 13.2533; 14.3559; 69.317; 75.823; 69.273;  

COD ID: 7249672
CIF file Formula: - C29 H31 B2 Co F4 Fe N16 O2 -
Comments: Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue CrystEngComm 27(3) (2025) 407-414
Space group: P 1 21/c 1
Cell volume: 3682.1
Cell parameters: 12.1471; 26.0291; 12.147; 90; 106.52; 90;  

COD ID: 7249673
CIF file Formula: - C4 H3 Cs N12 -
Comments: Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities CrystEngComm 27(2) (2025) 277-283
Space group: P -1
Cell volume: 493.98
Cell parameters: 7.6704; 8.0941; 8.4392; 90.866; 109.238; 92.487;  

COD ID: 7249674
CIF file Formula: - C4 H7 N12 Na O2 -
Comments: Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities CrystEngComm 27(2) (2025) 277-283
Space group: P b c a
Cell volume: 2122.78
Cell parameters: 12.5111; 6.5119; 26.0556; 90; 90; 90;  

COD ID: 7249675
CIF file Formula: - C4 H5 K N12 O -
Comments: Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities CrystEngComm 27(2) (2025) 277-283
Space group: P -1
Cell volume: 503.13
Cell parameters: 6.7583; 7.8975; 9.8534; 85.648; 73.651; 87.923;  

COD ID: 7249676
CIF file Formula: - C48 H60 Cl24 Nd4 O54 -
Comments: Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds CrystEngComm 27(2) (2025) 210-225
Space group: P -1
Cell volume: 2221.5
Cell parameters: 10.8914; 13.7161; 16.245; 74.024; 86.691; 72.279;  

COD ID: 7249677
CIF file Formula: - C8 H10 Cl4 O8 Y -
Comments: Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds CrystEngComm 27(2) (2025) 210-225
Space group: P 1 21/m 1
Cell volume: 699.07
Cell parameters: 8.7595; 6.7789; 11.8297; 90; 95.615; 90;  

COD ID: 7249678
CIF file Formula: - C16 H14 Cl8 K O15 Tb -
Comments: Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds CrystEngComm 27(2) (2025) 210-225
Space group: P -1
Cell volume: 1360.39
Cell parameters: 8.7604; 11.5722; 13.8453; 90.302; 97.3; 102.131;  

COD ID: 7249679
CIF file Formula: - C16 H14 Cl8 K La O15 -
Comments: Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds CrystEngComm 27(2) (2025) 210-225
Space group: P -1
Cell volume: 1417.5
Cell parameters: 8.1777; 12.7369; 13.969; 85.23; 77.92; 87.757;  

COD ID: 7249680
CIF file Formula: - C16 H11 Cl8 O13 Y -
Comments: Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds CrystEngComm 27(2) (2025) 210-225
Space group: P c a 21
Cell volume: 2610.1
Cell parameters: 11.564; 18.5537; 12.165; 90; 90; 90;  

COD ID: 7249681
CIF file Formula: - C16 H22 Cl8 K La O19 -
Comments: Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds CrystEngComm 27(2) (2025) 210-225
Space group: P -1
Cell volume: 1572.45
Cell parameters: 8.2758; 13.9934; 14.3376; 85.9932; 77.9272; 75.6109;  

COD ID: 7249682
CIF file Formula: - C26.36 H33.93 N O11.11 -
Comments: Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina Chiral resolution of dl-leucine via salifying tartaric acid derivatives CrystEngComm 27(2) (2025) 155-163
Space group: I 1 2 1
Cell volume: 5744.2
Cell parameters: 15.8758; 13.8581; 27.1887; 90; 106.2; 90;  

COD ID: 7249683
CIF file Formula: - C52 H64 N2 O21 -
Comments: Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina Chiral resolution of dl-leucine via salifying tartaric acid derivatives CrystEngComm 27(2) (2025) 155-163
Space group: C 1 2 1
Cell volume: 5482.27
Cell parameters: 27.9114; 12.8536; 15.9008; 90; 106.049; 90;  

COD ID: 7249684
CIF file Formula: - C16 H34 N20 O14 S -
Comments: Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity CrystEngComm 27(3) (2025) 311-324
Space group: C 1 2/c 1
Cell volume: 3227.51
Cell parameters: 20.3798; 6.49; 25.5179; 90; 107.008; 90;  

COD ID: 7249685
CIF file Formula: - C10 H13 N13 O7 -
Comments: Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity CrystEngComm 27(3) (2025) 311-324
Space group: P 1 21/n 1
Cell volume: 1716.32
Cell parameters: 7.2046; 12.8063; 18.89; 90; 100.014; 90;  

COD ID: 7249686
CIF file Formula: - C18 H28 N12 O3 -
Comments: Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity CrystEngComm 27(3) (2025) 311-324
Space group: P -1
Cell volume: 1188.8
Cell parameters: 10.205; 10.512; 11.184; 90.85; 94.688; 96.027;  

COD ID: 7249687
CIF file Formula: - C52 H34 Cl2 F18 N6 O7 -
Comments: Fang, Zong-Bin; Xiao, Yue-Feng; Sun, Chong; Chen, Xinyao; Zhou, Lingyu; Chen, Li; Lu, Qiaomei; Xiao, Wang-Dong; Wu, Shu-Ting Solubility, crystallization process optimization, and thermal properties of afoxolaner and the single-crystal structure of its hydrate CrystEngComm 27(6) (2025) 795-800
Space group: P 1 21/n 1
Cell volume: 5271.9
Cell parameters: 8.5511; 37.3176; 16.5685; 90; 94.354; 90;  

COD ID: 7249688
CIF file Formula: - C50 H34 N4 O2 -
Comments: Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety CrystEngComm 27(4) (2025) 468-473
Space group: I 1 2/a 1
Cell volume: 3625.73
Cell parameters: 17.3879; 7.727; 27.0872; 90; 94.9551; 90;  

COD ID: 7249689
CIF file Formula: - C25 H18 N2 O -
Comments: Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety CrystEngComm 27(4) (2025) 468-473
Space group: P 1 21/c 1
Cell volume: 1809.34
Cell parameters: 8.6165; 16.5014; 13.323; 90; 107.227; 90;  

COD ID: 7249690
CIF file Formula: - C84 H60 O38 Th6 -
Comments: McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E. Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers CrystEngComm 27(4) (2025) 507-515
Space group: C 1 2/m 1
Cell volume: 5093.5
Cell parameters: 24.309; 17.216; 17.183; 90; 134.903; 90;  

COD ID: 7249691
CIF file Formula: - C84 H60 O36 Pu6 -
Comments: McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E. Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers CrystEngComm 27(4) (2025) 507-515
Space group: P 1 21/n 1
Cell volume: 9289
Cell parameters: 15.805; 24.801; 23.813; 90; 95.628; 90;  

COD ID: 7249692
CIF file Formula: - C87.28 H69.83 O40 U6 -
Comments: McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E. Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers CrystEngComm 27(4) (2025) 507-515
Space group: P 1 21/n 1
Cell volume: 9309.5
Cell parameters: 15.8168; 24.7055; 23.9238; 90; 95.234; 90;  

COD ID: 7249693
CIF file Formula: - C31 H42 N8 O3 -
Comments: Martins, Inês C. B.; Belenguer, Ana M.; Lampronti, Giulio I.; Motloch, Petr Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine : barbiturate co-crystals: from rosette to linear tape polymorphs CrystEngComm 27(3) (2025) 307-310
Space group: P 1 21 1
Cell volume: 1645.1
Cell parameters: 9.6921; 15.7727; 12.6377; 90; 121.623; 90;  

COD ID: 7249699
CIF file Formula: - C39 Cu I N2 P2 -
Comments: Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission CrystEngComm 27(5) (2025) 661-667
Space group: P 1 21/n 1
Cell volume: 3560.4
Cell parameters: 13.1546; 12.9738; 21.2555; 90; 101.043; 90;  

COD ID: 7249700
CIF file Formula: - C40 H36 Cu I N2 P2 -
Comments: Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission CrystEngComm 27(5) (2025) 661-667
Space group: P 1 21/n 1
Cell volume: 3634
Cell parameters: 13.6749; 12.6744; 21.4637; 90; 102.349; 90;  

COD ID: 7249701
CIF file Formula: - C40 H34 Cu I N2 P2 -
Comments: Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission CrystEngComm 27(5) (2025) 661-667
Space group: P 1 21/n 1
Cell volume: 3691
Cell parameters: 13.4509; 12.8405; 21.9611; 90; 103.322; 90;  

COD ID: 7249702
CIF file Formula: - C41 H38 Cu I N2 P2 -
Comments: Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission CrystEngComm 27(5) (2025) 661-667
Space group: P 1 21/n 1
Cell volume: 3766.32
Cell parameters: 13.8302; 12.6013; 22.4188; 90; 105.428; 90;  

COD ID: 7249703
CIF file Formula: - C78 H100 N4 O28 S4 -
Comments: Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei Tetraphenylethylene-based blue light-emitting organic salt crystals CrystEngComm 27(5) (2025) 625-633
Space group: P -1
Cell volume: 4100.7
Cell parameters: 13.6216; 17.3077; 18.5961; 81.85; 77.726; 73.94;  

COD ID: 7249704
CIF file Formula: - C79 H68 N4 O12 S4 -
Comments: Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei Tetraphenylethylene-based blue light-emitting organic salt crystals CrystEngComm 27(5) (2025) 625-633
Space group: P -1
Cell volume: 5063.5
Cell parameters: 14.5199; 18.0137; 20.551; 104.206; 98.769; 97.896;  

COD ID: 7249705
CIF file Formula: - C222 H198 N12 O36 S12 -
Comments: Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei Tetraphenylethylene-based blue light-emitting organic salt crystals CrystEngComm 27(5) (2025) 625-633
Space group: P -1
Cell volume: 5274.8
Cell parameters: 12.6165; 19.6272; 21.927; 82.317; 78.76; 86.655;  

COD ID: 7249706
CIF file Formula: - C88 H80 N4 O12 S4 -
Comments: Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei Tetraphenylethylene-based blue light-emitting organic salt crystals CrystEngComm 27(5) (2025) 625-633
Space group: P 1 21/n 1
Cell volume: 9704.6
Cell parameters: 13.2402; 39.0334; 19.5745; 90; 106.403; 90;  

COD ID: 7249716
CIF file Formula: - C12 H8 Fe N4 O10 -
Comments: Liu, Jingwei; Cheng, Xiaolong; Dang, Shifa; Kong, Weile; Zheng, Mengxian; Zhang, Lei; Wu, Shuangyan; Liu, Ning; Cao, Jinchao Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities CrystEngComm 27(5) (2025) 687-694
Space group: I 1 2/a 1
Cell volume: 1462.1
Cell parameters: 14.9219; 8.4923; 13.0852; 90; 118.145; 90;  

COD ID: 7249717
CIF file Formula: - Ga4 O6 Te0 -
Comments: Song, Yufei; Guo, Xiaojie; Mu, Wenxiang; Tao, Xutang; Gao, Zeliang Top-seeded solution growth and characterization of β-Ga2O3 CrystEngComm 27(6) (2025) 814-819
Space group: C 1 2/m 1
Cell volume: 210.41
Cell parameters: 12.247; 3.044; 5.8136; 90; 103.866; 90;  

COD ID: 7249718
CIF file Formula: - C48 H39 Cl9 N6 O3 -
Comments: Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes CrystEngComm 27(4) (2025) 474-477
Space group: P -1
Cell volume: 2746
Cell parameters: 13.234; 13.892; 16.543; 109.362; 96.339; 102.534;  

COD ID: 7249719
CIF file Formula: - C16 H14 Br2 N2 O -
Comments: Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes CrystEngComm 27(4) (2025) 474-477
Space group: P -1
Cell volume: 762
Cell parameters: 9.02; 9.39; 10.71; 84.17; 67.13; 66.09;  

COD ID: 7249720
CIF file Formula: - C31 H25 Cl3 N4 O2 -
Comments: Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes CrystEngComm 27(4) (2025) 474-477
Space group: C 1 2/c 1
Cell volume: 5781
Cell parameters: 33.696; 10.737; 17.724; 90; 115.638; 90;  

COD ID: 7249721
CIF file Formula: - C46 H38 Cl2 N6 O3 -
Comments: Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes CrystEngComm 27(4) (2025) 474-477
Space group: P -1
Cell volume: 2086.5
Cell parameters: 12.106; 13.118; 13.961; 76.807; 75.289; 84.733;  

COD ID: 7249722
CIF file Formula: - C8 H12 Cl N -
Comments: Tashiro, Shohei Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride CrystEngComm 27(6) (2025) 729-735
Space group: P 32
Cell volume: 1986.78
Cell parameters: 21.7201; 21.7201; 4.8629; 90; 90; 120;  

COD ID: 7249723
CIF file Formula: - C16 H22 Cl N O2 -
Comments: Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Pisklak, Dariusz Maciej Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride CrystEngComm 27(3) (2025) 433-446
Space group: P 1 21/n 1
Cell volume: 1565.8
Cell parameters: 13.768; 8.245; 13.9478; 90; 98.53; 90;  

COD ID: 7249729
CIF file Formula: - C8 H9 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: C 1 2/c 1
Cell volume: 2377
Cell parameters: 21.4337; 10.5337; 12.9683; 90; 125.723; 90;  

COD ID: 7249730
CIF file Formula: - C13 H11 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: P 1 21 1
Cell volume: 751.35
Cell parameters: 7.4154; 7.5301; 13.6961; 90; 100.749; 90;  

COD ID: 7249731
CIF file Formula: - C8 H9 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: C 1 c 1
Cell volume: 2294.4
Cell parameters: 10.6002; 10.6466; 20.3303; 90; 90.12; 90;  

COD ID: 7249732
CIF file Formula: - C21 H27 F3 N2 O11 S2 -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: P 1 21 1
Cell volume: 1305.63
Cell parameters: 9.8176; 7.4895; 17.8098; 90; 94.428; 90;  

COD ID: 7249733
CIF file Formula: - C14 H13 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: P c a 21
Cell volume: 3227.2
Cell parameters: 29.2994; 7.4757; 14.7336; 90; 90; 90;  

COD ID: 7249734
CIF file Formula: - C13 H11 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: P c a 21
Cell volume: 3021.4
Cell parameters: 27.3846; 7.4463; 14.8172; 90; 90; 90;  

COD ID: 7249735
CIF file Formula: - C9 H11 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: P 1 21/c 1
Cell volume: 2525.5
Cell parameters: 12.9132; 10.6737; 18.342; 90; 92.616; 90;  

COD ID: 7249736
CIF file Formula: - C13 H11 F3 N2 O5 S -
Comments: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity CrystEngComm 27(7) (2025) 997-1015
Space group: P -1
Cell volume: 4355.4
Cell parameters: 7.4616; 21.345; 27.575; 94.444; 93.278; 94.635;  

COD ID: 7249737
CIF file Formula: - C43 H22 Cd2 F4 N6 O8 -
Comments: Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions CrystEngComm 27(8) (2025) 1139-1145
Space group: C 1 2/c 1
Cell volume: 13168.6
Cell parameters: 28.2765; 17.2824; 27.3501; 90; 99.8503; 90;  

COD ID: 7249738
CIF file Formula: - C5 H16 Br4 Cd N2 O -
Comments: Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes CrystEngComm 27(7) (2025) 939-947
Space group: P -1
Cell volume: 700.08
Cell parameters: 7.0976; 9.1098; 11.0003; 86.013; 84.06; 82.39;  

COD ID: 7249749
CIF file Formula: - C26 H28 Cl2 F3 N7 O4 -
Comments: Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability CrystEngComm 27(6) (2025) 820-832
Space group: P -1
Cell volume: 1451.8
Cell parameters: 10.7304; 11.1991; 12.3605; 93.057; 96.405; 99.535;  

COD ID: 7249750
CIF file Formula: - C23 H17 Cl4 N6 O2 -
Comments: Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability CrystEngComm 27(6) (2025) 820-832
Space group: P -1
Cell volume: 2456.06
Cell parameters: 12.8844; 13.7991; 14.5572; 105.074; 91.002; 99.969;  

COD ID: 7249751
CIF file Formula: - C26 H28 Cl2 N6 O3 -
Comments: Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability CrystEngComm 27(6) (2025) 820-832
Space group: P -1
Cell volume: 1286.8
Cell parameters: 8.9451; 10.4421; 15.1087; 75.104; 73.77; 75.903;  

COD ID: 7249752
CIF file Formula: - C23 H17 Cl2 F3 N6 O2 -
Comments: Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability CrystEngComm 27(6) (2025) 820-832
Space group: P -1
Cell volume: 1493.5
Cell parameters: 9.2015; 11.6771; 14.8897; 73.59; 76.902; 88.509;  

COD ID: 7249753
CIF file Formula: - C19 H17 N O4 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P -1
Cell volume: 786.8
Cell parameters: 6.24; 10.62; 12.07; 86.29; 82.15; 83.83;  

COD ID: 7249754
CIF file Formula: - C20 H19 N O4 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P 1 21/c 1
Cell volume: 1622.2
Cell parameters: 9.93; 7.67; 21.32; 90; 92.52; 90;  

COD ID: 7249755
CIF file Formula: - C22 H20 Cl N O6 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P -1
Cell volume: 1016
Cell parameters: 9.55; 11.38; 11.47; 95.07; 112.65; 113.02;  

COD ID: 7249756
CIF file Formula: - C22 H21 N O6 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P -1
Cell volume: 957.3
Cell parameters: 7.31; 8.96; 15.57; 95.17; 101.92; 104.05;  

COD ID: 7249757
CIF file Formula: - C21 H21 N O4 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P 1 21/c 1
Cell volume: 1746.3
Cell parameters: 24.539; 4.481; 16.013; 90; 97.34; 90;  

COD ID: 7249758
CIF file Formula: - C23 H23 N O6 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P -1
Cell volume: 1014.5
Cell parameters: 9.58; 11.38; 11.39; 95.15; 113.08; 112.31;  

COD ID: 7249759
CIF file Formula: - C22 H20 N2 O8 -
Comments: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K. Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates CrystEngComm 27(12) (2025) 1707-1721
Space group: P 1 21/n 1
Cell volume: 4057.8
Cell parameters: 11.833; 17.576; 19.87; 90; 100.91; 90;  

COD ID: 7249760
CIF file Formula: - C79 H47 Dy3 F54 N8 O22 -
Comments: Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties CrystEngComm 27(8) (2025) 1120-1127
Space group: P -1
Cell volume: 5418.7
Cell parameters: 12.6512; 16.6417; 27.8412; 93.091; 93.967; 111.555;  

COD ID: 7249761
CIF file Formula: - C64 H44 F36 Gd2 N8 O16 -
Comments: Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties CrystEngComm 27(8) (2025) 1120-1127
Space group: P -1
Cell volume: 4577.4
Cell parameters: 13.3629; 17.106; 20.6415; 83.05; 85.811; 78.097;  

COD ID: 7249762
CIF file Formula: - C64 H44 F36 N8 Nd2 O16 -
Comments: Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties CrystEngComm 27(8) (2025) 1120-1127
Space group: P -1
Cell volume: 4561.8
Cell parameters: 13.3092; 17.089; 20.6746; 83.017; 85.211; 78.285;  

COD ID: 7249764
CIF file Formula: - C38 H38 N2 O18 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P -1
Cell volume: 983.5
Cell parameters: 8.1663; 10.5584; 12.5335; 100.815; 91.1157; 111.431;  

COD ID: 7249765
CIF file Formula: - C18 H16 N2 O14 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P 1 21/n 1
Cell volume: 1129.93
Cell parameters: 9.7403; 10.6942; 10.9139; 90; 96.3201; 90;  

COD ID: 7249766
CIF file Formula: - C34 H38 N2 O16 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P -1
Cell volume: 957.87
Cell parameters: 8.7832; 9.7665; 11.6623; 76.391; 83.846; 81.044;  

COD ID: 7249767
CIF file Formula: - C38 H36 N2 O17 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P 1 21/c 1
Cell volume: 2029.27
Cell parameters: 11.235; 13.3313; 14.3587; 90; 109.338; 90;  

COD ID: 7249768
CIF file Formula: - C32 H30 N2 O20 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P -1
Cell volume: 858.55
Cell parameters: 8.4515; 10.5811; 10.585; 75.8824; 72.1083; 75.7896;  

COD ID: 7249769
CIF file Formula: - C32 H34 N2 O16 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P -1
Cell volume: 832.72
Cell parameters: 8.8565; 9.0719; 11.6001; 73.5981; 86.2684; 68.7753;  

COD ID: 7249770
CIF file Formula: - C36 H32 N4 O18 U2 -
Comments: Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates CrystEngComm 27(7) (2025) 1034-1043
Space group: P -1
Cell volume: 980.89
Cell parameters: 8.3083; 9.7524; 13.3763; 99.2243; 100.684; 108.614;  

COD ID: 7249774
CIF file Formula: - C28 H25 Br F N3 O5 -
Comments: Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect CrystEngComm 27(7) (2025) 1026-1033
Space group: P 1 21/c 1
Cell volume: 2525.45
Cell parameters: 14.1331; 8.8013; 21.0334; 90; 105.146; 90;  

COD ID: 7249775
CIF file Formula: - C35 H29 F N4 O8 S -
Comments: Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect CrystEngComm 27(7) (2025) 1026-1033
Space group: P b c a
Cell volume: 6365.05
Cell parameters: 8.4541; 18.1835; 41.4054; 90; 90; 90;  

COD ID: 7249776
CIF file Formula: - C28 H25 Cl F N3 O5 -
Comments: Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect CrystEngComm 27(7) (2025) 1026-1033
Space group: P 1 21/c 1
Cell volume: 2476.66
Cell parameters: 8.2418; 15.0392; 19.989; 90; 91.61; 90;  

COD ID: 7249777
CIF file Formula: - H16 Mn4 Na8 O68 W12 -
Comments: Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting CrystEngComm 27(7) (2025) 974-988
Space group: P 1 21/n 1
Cell volume: 3085.45
Cell parameters: 15.3531; 11.7391; 18.1384; 90; 109.297; 90;  

COD ID: 7249778
CIF file Formula: - C0.02 H0.02 Cu N0.02 O W -
Comments: Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting CrystEngComm 27(7) (2025) 974-988
Space group: P 1 21/c 1
Cell volume: 7644.5
Cell parameters: 13.7848; 20.9048; 26.7438; 90; 97.288; 90;  

COD ID: 7249779
CIF file Formula: - C12 H12 Cl Cu N2 O6 -
Comments: Atta, Sawaira; Siddique, Amna; Qasim, Muhammad Naveed; AlDamen, Murad A.; Sheikh, Tahir Ali; Sadullayevich, Normamatov Adkhamjon; Ibragimov, Aziz B.; Akhtar, Muhammad Nadeem Perchlorate-supported Cu(ii)-based 1D polymeric chains containing 1,10-phenanthroline: synthesis, characterization and adsorption of organic dyes and heavy metal ions CrystEngComm 27(9) (2025) 1346-1362
Space group: I 1 2/a 1
Cell volume: 1370.9
Cell parameters: 7.0255; 13.8315; 14.2849; 90; 99.029; 90;  

COD ID: 7249780
CIF file Formula: - C18 H14 N8 S6 -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals CrystEngComm 27(6) (2025) 784-794
Space group: P -1
Cell volume: 541.95
Cell parameters: 6.5124; 6.7635; 13.9013; 81.841; 81.532; 63.93;  

COD ID: 7249781
CIF file Formula: - C8 H8 N6 S4 -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals CrystEngComm 27(6) (2025) 784-794
Space group: P -1
Cell volume: 665.851
Cell parameters: 8.0157; 8.5707; 11.0442; 110.316; 106.348; 95.818;  

COD ID: 7249782
CIF file Formula: - C7 H7 N5 O S3 -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals CrystEngComm 27(6) (2025) 784-794
Space group: P 1 21/c 1
Cell volume: 1104.09
Cell parameters: 4.4955; 16.5288; 14.9573; 90; 96.579; 90;  

COD ID: 7249783
CIF file Formula: - C14 H12 N10 S8 -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals CrystEngComm 27(6) (2025) 784-794
Space group: C 1 2/c 1
Cell volume: 2396.31
Cell parameters: 19.96872; 5.45162; 23.70011; 90; 111.753; 90;  

COD ID: 7249787
CIF file Formula: - C23 H17 N3 O5 Pb S -
Comments: Zhang, Hangchuan; Guo, Jingpeng; Liu, Lin; Yu, Zhan; Wei, Na Thiadiazole-functionalized Pb(ii)-MOF for “turn-on” fluorescence selective sensing of Al3+ CrystEngComm 27(7) (2025) 956-963
Space group: P 1 21/n 1
Cell volume: 2128
Cell parameters: 13.86; 4.3787; 35.14; 90; 93.77; 90;  

COD ID: 7249802
CIF file Formula: - C9 H13 In2 N3 O14.5 P2 -
Comments: Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures CrystEngComm 27(7) (2025) 903-907
Space group: P -1
Cell volume: 957.24
Cell parameters: 8.705; 10.4508; 12.106; 107.888; 103.691; 104.046;  

COD ID: 7249803
CIF file Formula: - C16 H28 In4 N6 O30 P6 -
Comments: Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures CrystEngComm 27(7) (2025) 903-907
Space group: P 1 21 1
Cell volume: 1866.59
Cell parameters: 8.397; 23.4886; 9.9675; 90; 108.292; 90;  

COD ID: 7249804
CIF file Formula: - C18 H14 Mn2 N8 O4 -
Comments: Liu, Han-Fu; Hu, Zhi-Rong; Wu, Tai-Xue; Hao, Hong-Mei; Li, Hai-Ye; Huang, Fu-Ping A 3D rigid Mn-MOF heterogeneous catalyst for thioether oxidation, cyanosilylation and Knoevenagel condensation CrystEngComm 27(9) (2025) 1307-1314
Space group: R -3 :H
Cell volume: 5155.6
Cell parameters: 21.6779; 21.6779; 12.6682; 90; 90; 120;  

COD ID: 7249805
CIF file Formula: - C42 H26 Cl4 Fe N6 O9 -
Comments: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks CrystEngComm 27(7) (2025) 931-938
Space group: P -1
Cell volume: 2006.95
Cell parameters: 8.9753; 10.8907; 20.9485; 85.702; 80.124; 85.417;  

COD ID: 7249806
CIF file Formula: - C42 H26 Cl4 Co N6 O9 -
Comments: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks CrystEngComm 27(7) (2025) 931-938
Space group: P -1
Cell volume: 2018.03
Cell parameters: 8.9669; 10.9875; 20.9096; 85.627; 80.052; 85.213;  

COD ID: 7249807
CIF file Formula: - C36 H34 Cl1.99 N6 Ni O10.01 -
Comments: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks CrystEngComm 27(7) (2025) 931-938
Space group: P -1
Cell volume: 1827.81
Cell parameters: 9.0426; 9.0675; 22.4477; 92.511; 96.2; 90.655;  

COD ID: 7249808
CIF file Formula: - C42 H26 Cl4 N6 Ni O9 -
Comments: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks CrystEngComm 27(7) (2025) 931-938
Space group: P -1
Cell volume: 2030.99
Cell parameters: 8.9581; 11.035; 20.9833; 85.086; 80.136; 85.18;  

COD ID: 7249809
CIF file Formula: - C36 H34 Cl2 Fe N6 O10 -
Comments: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks CrystEngComm 27(7) (2025) 931-938
Space group: P -1
Cell volume: 1800.68
Cell parameters: 9.018; 9.0232; 22.2494; 91.685; 95.684; 90.432;  

COD ID: 7249810
CIF file Formula: - C36 H34 Cl2 Co N6 O10 -
Comments: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks CrystEngComm 27(7) (2025) 931-938
Space group: P -1
Cell volume: 1814.09
Cell parameters: 9.03554; 9.0471; 22.3304; 92.077; 95.9851; 90.5673;  

COD ID: 7249819
CIF file Formula: - C9 H8 O4 Zn -
Comments: Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P. Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid CrystEngComm 27(7) (2025) 913-920
Space group: P 1 21/c 1
Cell volume: 897.85
Cell parameters: 11.2667; 9.0284; 9.272; 90; 107.83; 90;  

COD ID: 7249820
CIF file Formula: - C9 H8 O4 Pb -
Comments: Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P. Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid CrystEngComm 27(7) (2025) 913-920
Space group: I b a 2
Cell volume: 1762.7
Cell parameters: 8.7725; 23.311; 8.6198; 90; 90; 90;  

COD ID: 7249826
CIF file Formula: - C8 H72 Co4 Mo8 N16 Na2 O55 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 1470.2
Cell parameters: 9.4465; 10.7769; 15.2702; 106.856; 93.852; 96.451;  

COD ID: 7249827
CIF file Formula: - C8 H66 Co4 Mo8 N16 O51 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 1401.85
Cell parameters: 7.916; 12.5833; 15.4115; 108.216; 94.54; 103.045;  

COD ID: 7249828
CIF file Formula: - C12 H62 Co4 Mo8 N16 O50 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 1443.65
Cell parameters: 8.4824; 13.3673; 14.0305; 84.26; 73.105; 71.519;  

COD ID: 7249829
CIF file Formula: - C8 H34 Co2 Mo4 N8 O27 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: I 1 2/a 1
Cell volume: 6758.98
Cell parameters: 27.0622; 7.3624; 33.9652; 90; 92.844; 90;  

COD ID: 7249830
CIF file Formula: - C8 H64 Co4 Mo8 N16 O50 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P 1 21/c 1
Cell volume: 2772.33
Cell parameters: 9.9976; 20.6814; 13.4605; 90; 95.055; 90;  

COD ID: 7249831
CIF file Formula: - C8 H76 Co4 Mo8 N16 O56 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 1521.1
Cell parameters: 11.5178; 12.416; 12.619; 89.529; 65.036; 70.299;  

COD ID: 7249832
CIF file Formula: - C16 H124 Co8 Mo16 N32 O98 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 2949.84
Cell parameters: 11.7837; 12.5652; 20.6823; 91.864; 101.574; 99.735;  

COD ID: 7249833
CIF file Formula: - C6 H24 Co Mo2 N6 Na3 O45 V7 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 2332.71
Cell parameters: 12.1225; 13.4878; 14.4274; 92.943; 97.909; 91.012;  

COD ID: 7249834
CIF file Formula: - C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -
Comments: Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V. Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations CrystEngComm 27(8) (2025) 1128-1138
Space group: P -1
Cell volume: 3387.58
Cell parameters: 13.2251; 15.9667; 16.2567; 86.364; 81.442; 88.936;  

COD ID: 7249835
CIF file Formula: - C5 H5 N O2 -
Comments: Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions CrystEngComm 27(8) (2025) 1146-1156
Space group: P -1
Cell volume: 982.5
Cell parameters: 8.115; 9.1085; 14.5497; 74.156; 88.19; 72.032;  

COD ID: 7249836
CIF file Formula: - C40 H42 N6 O12 -
Comments: Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions CrystEngComm 27(8) (2025) 1146-1156
Space group: P -1
Cell volume: 2033
Cell parameters: 7.1215; 13.7391; 21.469; 76.347; 85.043; 87.487;  

COD ID: 7249837
CIF file Formula: - C21 H24 N2 O4 -
Comments: Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions CrystEngComm 27(8) (2025) 1146-1156
Space group: P 1 21/n 1
Cell volume: 1913.3
Cell parameters: 16.904; 6.4769; 17.825; 90; 101.367; 90;  

COD ID: 7249838
CIF file Formula: - C36 H31 N Ni O P2 S2 -
Comments: Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER) CrystEngComm 27(10) (2025) 1460-1473
Space group: P -1
Cell volume: 3304.6
Cell parameters: 12.1844; 15.7973; 18.7868; 67.618; 81.84; 83.948;  

COD ID: 7249839
CIF file Formula: - C36.3 H31.6 Cl0.6 N Ni O P2 S2 -
Comments: Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER) CrystEngComm 27(10) (2025) 1460-1473
Space group: P -1
Cell volume: 3457.65
Cell parameters: 14.8719; 15.3304; 16.0822; 77.953; 82.524; 75.348;  

COD ID: 7249840
CIF file Formula: - C37 H32 Cl3 N Ni O P2 S2 -
Comments: Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER) CrystEngComm 27(10) (2025) 1460-1473
Space group: P -1
Cell volume: 3645.6
Cell parameters: 15.187; 15.6264; 15.9554; 76.974; 89.738; 81.37;  

COD ID: 7249841
CIF file Formula: - C24 H16 Cu2 I3 N4 S4 -
Comments: Li, Huifang; Gao, Yiqun; Lin, Xi; Li, Ke; Lin, Xiaoli; Li, Haohong; Zheng, Huidong Ternary resistive switching memory of copper–organic complex/iodocuprate/sulfur hybrid enabled by π–π interactions and S8 relaxation CrystEngComm 27(10) (2025) 1439-1445
Space group: P c c n
Cell volume: 5952.6
Cell parameters: 23.119; 15.1711; 16.9715; 90; 90; 90;  

COD ID: 7249842
CIF file Formula: - C59 H47 Cu F30 Gd N8 O16 -
Comments: Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical CrystEngComm 27(11) (2025) 1583-1590
Space group: P -1
Cell volume: 3726
Cell parameters: 12.0459; 16.7225; 20.5508; 111.534; 91.936; 102.731;  

COD ID: 7249843
CIF file Formula: - C59 H47 Cu Dy F30 N8 O16 -
Comments: Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical CrystEngComm 27(11) (2025) 1583-1590
Space group: P -1
Cell volume: 3722.6
Cell parameters: 12.0447; 16.704; 20.5482; 111.44; 92.035; 102.735;  

COD ID: 7249844
CIF file Formula: - C59 H47 Cu F30 N8 O16 Tb -
Comments: Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical CrystEngComm 27(11) (2025) 1583-1590
Space group: P -1
Cell volume: 3666.6
Cell parameters: 11.996; 16.6031; 20.3772; 110.962; 92.013; 102.791;  

COD ID: 7249850
CIF file Formula: - C9 H18 N3 O10 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 1
Cell volume: 366.91
Cell parameters: 4.8019; 8.3731; 9.5127; 76.71; 80.38; 86.6;  

COD ID: 7249851
CIF file Formula: - C9 H16 N3 O9 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 1
Cell volume: 335.89
Cell parameters: 4.7963; 8.247; 9.04; 70.65; 86.7; 84.89;  

COD ID: 7249852
CIF file Formula: - C9 H14 N3 O8 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 21 21 21
Cell volume: 1277.2
Cell parameters: 8.338; 31.318; 4.8912; 90; 90; 90;  

COD ID: 7249853
CIF file Formula: - C9 H17 N3 O9.5 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 21 21 2
Cell volume: 1450
Cell parameters: 8.4629; 35.212; 4.8658; 90; 90; 90;  

COD ID: 7249854
CIF file Formula: - C9 H14 N3 O8 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 1
Cell volume: 314.55
Cell parameters: 4.7896; 8.1312; 8.4477; 76.85; 79.75; 83.99;  

COD ID: 7249855
CIF file Formula: - C9 H14 N3 O8 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 1 21 1
Cell volume: 657.1
Cell parameters: 4.843; 8.646; 15.726; 90; 93.68; 90;  

COD ID: 7249856
CIF file Formula: - C9 H16 N3 O9 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 21 21 21
Cell volume: 1378.6
Cell parameters: 8.367; 34.158; 4.8236; 90; 90; 90;  

COD ID: 7249857
CIF file Formula: - C9 H15 N3 O8.5 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 1
Cell volume: 653.29
Cell parameters: 4.7974; 8.2932; 16.861; 101.48; 92.04; 95.55;  

COD ID: 7249858
CIF file Formula: - C9 H17 N3 O9.5 P -
Comments: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates CrystEngComm 27(8) (2025) 1174-1184
Space group: P 21 21 21
Cell volume: 2870.5
Cell parameters: 8.422; 35.163; 9.693; 90; 90; 90;  

COD ID: 7249862
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1440.4
Cell parameters: 12.003; 11.347; 10.802; 90; 101.75; 90;  

COD ID: 7249863
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1440.7
Cell parameters: 12.004; 11.352; 10.797; 90; 101.7; 90;  

COD ID: 7249864
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1440.4
Cell parameters: 12.008; 11.352; 10.791; 90; 101.7; 90;  

COD ID: 7249865
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1440.7
Cell parameters: 12.012; 11.349; 10.792; 90; 101.68; 90;  

COD ID: 7249866
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1450.2
Cell parameters: 12.075; 11.371; 10.787; 90; 101.73; 90;  

COD ID: 7249867
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1439.8
Cell parameters: 12.005; 11.349; 10.792; 90; 101.71; 90;  

COD ID: 7249868
CIF file Formula: - C19 H15 N O -
Comments: Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore CrystEngComm 27(10) (2025) 1420-1426
Space group: P 1 21/c 1
Cell volume: 1440.5
Cell parameters: 12.006; 11.351; 10.793; 90; 101.67; 90;  

COD ID: 7249869
CIF file Formula: - C27 H18 Cu O5 en lv so t -
Comments: Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities CrystEngComm 27(8) (2025) 1206-1213
Space group: C 1 2/c 1
Cell volume: 4485.5
Cell parameters: 28.644; 7.1941; 23.764; 90; 113.655; 90;  

COD ID: 7249870
CIF file Formula: - C27 H18 O5 Zn en lv so t -
Comments: Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities CrystEngComm 27(8) (2025) 1206-1213
Space group: C m c e
Cell volume: 7854
Cell parameters: 23.673; 18.677; 17.763; 90; 90; 90;  

COD ID: 7249871
CIF file Formula: - C180 H142 N6 O32 Zn7 -
Comments: Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities CrystEngComm 27(8) (2025) 1206-1213
Space group: R -3 :H
Cell volume: 11749.9
Cell parameters: 25.5168; 25.5168; 20.8378; 90; 90; 120;  

COD ID: 7249872
CIF file Formula: - C30 H23 Cu N O5 en lv so t -
Comments: Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities CrystEngComm 27(8) (2025) 1206-1213
Space group: C m c e
Cell volume: 7702.5
Cell parameters: 23.4998; 18.6597; 17.5655; 90; 90; 90;  

COD ID: 7249873
CIF file Formula: - C19 H15 Cd N O6 -
Comments: Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao Photochromic pyridylfulgenates and their cadmium complexes CrystEngComm 27(11) (2025) 1548-1559
Space group: R -3 :H
Cell volume: 7983
Cell parameters: 33.209; 33.209; 8.3584; 90; 90; 120;  

COD ID: 7249874
CIF file Formula: - C20 H19 N O4 -
Comments: Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao Photochromic pyridylfulgenates and their cadmium complexes CrystEngComm 27(11) (2025) 1548-1559
Space group: P n a 21
Cell volume: 1829.3
Cell parameters: 12.5813; 9.8659; 14.7378; 90; 90; 90;  

COD ID: 7249875
CIF file Formula: - C25 H21 N O4 -
Comments: Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao Photochromic pyridylfulgenates and their cadmium complexes CrystEngComm 27(11) (2025) 1548-1559
Space group: P 1 21/c 1
Cell volume: 4301.9
Cell parameters: 16.1979; 22.8193; 11.8386; 90; 100.545; 90;  

COD ID: 7249876
CIF file Formula: - C36 H32 Cd N2 O10 -
Comments: Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao Photochromic pyridylfulgenates and their cadmium complexes CrystEngComm 27(11) (2025) 1548-1559
Space group: P 1 21/n 1
Cell volume: 1694.3
Cell parameters: 12.1419; 8.5142; 16.4832; 90; 96.129; 90;  

COD ID: 7249877
CIF file Formula: - C50 H44 Cd N2 O10 -
Comments: Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao Photochromic pyridylfulgenates and their cadmium complexes CrystEngComm 27(11) (2025) 1548-1559
Space group: P 1 21/c 1
Cell volume: 4353.3
Cell parameters: 17.4412; 14.5878; 17.9857; 90; 107.952; 90;  

COD ID: 7249878
CIF file Formula: - C83 H79 Cd2 N5 O17 -
Comments: Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao Photochromic pyridylfulgenates and their cadmium complexes CrystEngComm 27(11) (2025) 1548-1559
Space group: P 1 21/c 1
Cell volume: 7966.3
Cell parameters: 16.4124; 17.2304; 28.2016; 90; 92.706; 90;  

COD ID: 7249879
CIF file Formula: - C44 H38 Br2 Co2 N4 O11 -
Comments: Chen, Xiang-Yu; Hu, Zi-Ang; Qu, Yan; Ning, Ru-Jin; Tao, Wen-Da; He, Shou-Qin; Liu, Zhi-Fu; Shen, Yong-Hui; Qin, Ling The optimization of hydrogen evolution performance by removing guest molecules in Co-MOF CrystEngComm 27(11) (2025) 1591-1598
Space group: C 1 2/c 1
Cell volume: 4694.27
Cell parameters: 16.6697; 14.6638; 19.3585; 90; 97.241; 90;  

COD ID: 7249882
CIF file Formula: - C21 H20 Br2 O4 -
Comments: Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol CrystEngComm 27(11) (2025) 1560-1567
Space group: C 1 2/c 1
Cell volume: 8343
Cell parameters: 26.8681; 9.3502; 33.4362; 90; 96.671; 90;  

COD ID: 7249883
CIF file Formula: - C33 H30 Cd N4 O7 -
Comments: Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol CrystEngComm 27(11) (2025) 1560-1567
Space group: P -1
Cell volume: 1627.74
Cell parameters: 11.4955; 12.1086; 12.9827; 110.33; 91.122; 104.67;  

COD ID: 7249884
CIF file Formula: - C33 H26 N4 O4 -
Comments: Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol CrystEngComm 27(11) (2025) 1560-1567
Space group: P 1 c 1
Cell volume: 1351.1
Cell parameters: 12.071; 10.485; 12.181; 90; 118.789; 90;  

COD ID: 7249885
CIF file Formula: - C33 H26 N4 O5 Pb -
Comments: Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol CrystEngComm 27(11) (2025) 1560-1567
Space group: P -1
Cell volume: 1385.3
Cell parameters: 11.2015; 11.4714; 12.5314; 72.283; 76.741; 65.449;  

COD ID: 7249891
CIF file Formula: - C17 H20 N2 S -
Comments: Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V. Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition CrystEngComm 27(9) (2025) 1240-1247
Space group: P 32
Cell volume: 1175.44
Cell parameters: 10.2178; 10.2178; 13.0003; 90; 90; 120;  

COD ID: 7249892
CIF file Formula: - C17 H20 N2 S -
Comments: Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V. Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition CrystEngComm 27(9) (2025) 1240-1247
Space group: P 1 21/c 1
Cell volume: 1539.6
Cell parameters: 12.9267; 12.7298; 9.3576; 90; 90.901; 90;  

COD ID: 7249893
CIF file Formula: - C14 H11 N -
Comments: Cabrera, Alexa; Safari, Fatemah; Kumar, Ravhi; Zhu, Haoran; Ahart, Muhtar; Liu, Zhenxian; Driver, Tom G.; Hemley, Russell J. Synthesis, structure, and stability of a novel 2H-azirine under pressure CrystEngComm 27(9) (2025) 1248-1255
Space group: P 65
Cell volume: 1708.27
Cell parameters: 18.5963; 18.5963; 5.7039; 90; 90; 120;  

COD ID: 7249894
CIF file Formula: - C6 Cl2 F4 -
Comments: Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K. Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl. CrystEngComm 27(10) (2025) 1386-1391
Space group: C 1 2/m 1
Cell volume: 347.74
Cell parameters: 9.0094; 7.6502; 5.0908; 90; 97.673; 90;  

COD ID: 7249895
CIF file Formula: - C6 Cl F5 -
Comments: Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K. Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl. CrystEngComm 27(10) (2025) 1386-1391
Space group: C 1 2/m 1
Cell volume: 651.58
Cell parameters: 9.0176; 7.6579; 9.4977; 90; 96.562; 90;  

COD ID: 7249896
CIF file Formula: - C6 Cl F5 -
Comments: Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K. Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl. CrystEngComm 27(10) (2025) 1386-1391
Space group: C 1 2/m 1
Cell volume: 338.23
Cell parameters: 9.1116; 7.7713; 4.8027; 90; 95.977; 90;  

COD ID: 7249917
CIF file Formula: - C25 H48 Cl5 Cu N3 O5 -
Comments: Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties CrystEngComm 27(12) (2025) 1773-1780
Space group: P 1 21/c 1
Cell volume: 3202.7
Cell parameters: 14.361; 13.865; 16.142; 90; 94.825; 90;  

COD ID: 7249918
CIF file Formula: - C24 H44 Cd Cl5 N3 O4 -
Comments: Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties CrystEngComm 27(12) (2025) 1773-1780
Space group: P 1 21/n 1
Cell volume: 3325.7
Cell parameters: 11.0149; 19.8174; 15.8532; 90; 106.045; 90;  

COD ID: 7249919
CIF file Formula: - C24 H44 Cl5 N3 O4 Zn -
Comments: Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties CrystEngComm 27(12) (2025) 1773-1780
Space group: P 1 21/n 1
Cell volume: 3275.4
Cell parameters: 10.9164; 19.7454; 15.8657; 90; 106.713; 90;  

COD ID: 7249920
CIF file Formula: - C22 H35 Cu F6 N7 O5 Zr -
Comments: Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E. Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases CrystEngComm 27(12) (2025) 1736-1741
Space group: P n a 21
Cell volume: 2984.9
Cell parameters: 15.4735; 13.207; 14.6062; 90; 90; 90;  

COD ID: 7249921
CIF file Formula: - C20 H22 Cu F6 N6 Zr -
Comments: Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E. Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases CrystEngComm 27(12) (2025) 1736-1741
Space group: P n n a
Cell volume: 3569.5
Cell parameters: 14.6449; 16.654; 14.6352; 90; 90; 90;  

COD ID: 7249924
CIF file Formula: - C78 H55 N6 O8 Yb2 -
Comments: Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates CrystEngComm 27(14) (2025) 2148-2153
Space group: P -1
Cell volume: 3352.9
Cell parameters: 14.8563; 15.281; 16.5287; 76.367; 85.738; 66.875;  

COD ID: 7249925
CIF file Formula: - C176 H144 Cl4 N18 O22 Yb4 -
Comments: Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates CrystEngComm 27(14) (2025) 2148-2153
Space group: P 1 21/n 1
Cell volume: 8518.3
Cell parameters: 21.4927; 15.5992; 25.5168; 90; 95.309; 90;  

COD ID: 7249926
CIF file Formula: - C122.5 H140 N4 Na4 O8 -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: P 1 21/c 1
Cell volume: 10344.2
Cell parameters: 25.1779; 17.1245; 24.3955; 90; 100.441; 90;  

COD ID: 7249927
CIF file Formula: - C24 H25 N O -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: P 1 21/n 1
Cell volume: 1940.39
Cell parameters: 14.8981; 8.6526; 16.0807; 90; 110.599; 90;  

COD ID: 7249928
CIF file Formula: - C186 H192 Ca3 N6 O6 -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: R -3 :H
Cell volume: 11023.9
Cell parameters: 26.9692; 26.9692; 17.5013; 90; 90; 120;  

COD ID: 7249929
CIF file Formula: - C22 H15 N O -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: A e a 2
Cell volume: 9154.1
Cell parameters: 24.2597; 44.3767; 8.5031; 90; 90; 90;  

COD ID: 7249930
CIF file Formula: - C24 H26 Cl N O -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: P 1 21/n 1
Cell volume: 2102.37
Cell parameters: 14.4234; 10.4958; 14.8391; 90; 110.63; 90;  

COD ID: 7249931
CIF file Formula: - C24 H26 B F4 N O -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: P b c a
Cell volume: 4317.4
Cell parameters: 15.9889; 14.0339; 19.241; 90; 90; 90;  

COD ID: 7249932
CIF file Formula: - C72 H102 Al2 Li2 N2 O8 -
Comments: Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu. Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones CrystEngComm 27(12) (2025) 1749-1762
Space group: P -1
Cell volume: 1656.48
Cell parameters: 10.632; 13.0113; 13.1794; 80.2304; 76.6792; 69.7594;  

COD ID: 7249938
CIF file Formula: - C10 H20 Cd2 Cl6 N2 -
Comments: Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals CrystEngComm 27(11) (2025) 1534-1540
Space group: P 1 21/n 1
Cell volume: 2077.5
Cell parameters: 6.664; 17.112; 18.366; 90; 97.266; 90;  

COD ID: 7249939
CIF file Formula: - C20 H40 Cd4 Cl12 N4 -
Comments: Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals CrystEngComm 27(11) (2025) 1534-1540
Space group: P n m a
Cell volume: 2161.6
Cell parameters: 17.6713; 6.7314; 18.1716; 90; 90; 90;  

COD ID: 7249940
CIF file Formula: - C10 H20 Cl6 Mn2 N2 -
Comments: Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals CrystEngComm 27(11) (2025) 1534-1540
Space group: P 1 21/n 1
Cell volume: 1960.87
Cell parameters: 6.3709; 16.9377; 18.33; 90; 97.538; 90;  

COD ID: 7249941
CIF file Formula: - C5 H10 Cl3 Mn N -
Comments: Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals CrystEngComm 27(11) (2025) 1534-1540
Space group: P n m a
Cell volume: 1045.9
Cell parameters: 14.6427; 6.494; 10.999; 90; 90; 90;  

COD ID: 7249942
CIF file Formula: - C54 H50 Cl4 N12 -
Comments: Smith, Jordan N.; White, Nicholas G. Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association CrystEngComm 27(11) (2025) 1568-1574
Space group: C 1 2/c 1
Cell volume: 5007.22
Cell parameters: 11.5763; 18.4127; 24.1317; 90; 103.228; 90;  

COD ID: 7249943
CIF file Formula: - C52 H46 N12 -
Comments: Smith, Jordan N.; White, Nicholas G. Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association CrystEngComm 27(11) (2025) 1568-1574
Space group: C 1 2/c 1
Cell volume: 5164.1
Cell parameters: 11.4546; 18.6173; 24.6098; 90; 100.265; 90;  

COD ID: 7249944
CIF file Formula: - C52 H46 N12 -
Comments: Smith, Jordan N.; White, Nicholas G. Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association CrystEngComm 27(11) (2025) 1568-1574
Space group: P 1
Cell volume: 1312.8
Cell parameters: 10.8323; 10.8523; 13.367; 68.942; 77.748; 63.78;  

COD ID: 7249945
CIF file Formula: - C54 H48 Cl6 N12 -
Comments: Smith, Jordan N.; White, Nicholas G. Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association CrystEngComm 27(11) (2025) 1568-1574
Space group: P 1 21 1
Cell volume: 5233.1
Cell parameters: 10.6444; 49.445; 11.034; 90; 115.695; 90;  

COD ID: 7249946
CIF file Formula: - Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17 -
Comments: Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance CrystEngComm 27(11) (2025) 1650-1656
Space group: P -4 21 m
Cell volume: 8291.2
Cell parameters: 21.5884; 21.5884; 17.7901; 90; 90; 90;  

COD ID: 7249947
CIF file Formula: - C15 H13 N O3 -
Comments: Prohens, Rafel; Barbas, Rafael; Abrego, Guadalupe; Frontera, Antonio Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses CrystEngComm 27(12) (2025) 1742-1748
Space group: P 1 21/c 1
Cell volume: 1225.26
Cell parameters: 11.464; 10.37828; 10.88732; 90; 108.933; 90;  

COD ID: 7249951
CIF file Formula: - B2 Cs1.5 H47 K4 N0.5 Na3 Ni7 O101 Si2 W20 -
Comments: Zhang, Zheng-Ge; Wang, Zhen-Wen; Wang, Yu; Chen, Juan; Wang, Yue-Lin; Yang, Guo-Yu A Ni-added polyoxometalate: synthesis, structure and catalytic performance CrystEngComm 27(13) (2025) 1879-1886
Space group: P n m a
Cell volume: 10254.9
Cell parameters: 37.466; 14.8831; 18.3908; 90; 90; 90;  

COD ID: 7249955
CIF file Formula: - C47 H53 Cl N8 O7 S -
Comments: Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance CrystEngComm 27(12) (2025) 1816-1829
Space group: P -1
Cell volume: 2256.41
Cell parameters: 12.2261; 14.0822; 15.115; 67.388; 72.278; 74.731;  

COD ID: 7249956
CIF file Formula: - C55 H63 Cl N10 O11 S -
Comments: Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance CrystEngComm 27(12) (2025) 1816-1829
Space group: P 1 21/c 1
Cell volume: 5583.2
Cell parameters: 12.6958; 43.0206; 10.8969; 90; 110.267; 90;  

COD ID: 7249957
CIF file Formula: - C49 H55 Cl N8 O11 S -
Comments: Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance CrystEngComm 27(12) (2025) 1816-1829
Space group: P -1
Cell volume: 2469.28
Cell parameters: 11.1533; 12.6185; 19.2633; 71.723; 85.508; 73.59;  

COD ID: 7249958
CIF file Formula: - C66 H66 Cl N7.5 O13 S3 -
Comments: Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance CrystEngComm 27(12) (2025) 1816-1829
Space group: P 1
Cell volume: 1588.57
Cell parameters: 10.8016; 10.8223; 14.0795; 84.7041; 83.824; 76.704;  


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