Crystallography Open Database

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7251475 CIFC20 H14 Ag Cl N4 O5 Se2P -13.814; 10.3541; 14.2499
92.62; 95.335; 94.139
558.06Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251476 CIFC28 H22 Ag2 F12 N10 Sb2 Se4P 1 21/c 112.2862; 10.8853; 15.1578
90; 100.846; 90
1990.98Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251477 CIFC44 H30 Ag2 Cl2 N10 O8 S4P -17.4983; 9.4191; 16.203
91.584; 90.423; 104.261
1108.6Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251478 CIFC16 H16 Ag Cl N4 O4 Se2P -17.4239; 13.407; 20.291
107.42; 98.47; 93.08
1895.7Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251479 CIFC6 H4 Ag2 N4 O6 SeI 1 2/a 17.1843; 9.6347; 15.7023
90; 102.367; 90
1061.67Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251480 CIFC10 H6 Ag N3 O3 SeP 1 2/n 16.88; 12.017; 6.963
90; 117.27; 90
511.7Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251481 CIFC14 H11 Ag B F4 N5 Se2P -17.8775; 10.6277; 12.0636
68.86; 88.968; 69.456
875.25Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251482 CIFC12 H10 Ag B F4 N4 O S2P 1 21 16.9919; 11.3238; 10.4854
90; 106.456; 90
796.17Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251483 CIFC14 H12 Ag N5 O3 Se2P -17.3648; 9.9357; 11.3068
96.414; 91.408; 104.754
793.87Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251484 CIFC30 H18 Ag3 N9 O9 S3P 1 21/c 16.7953; 35.947; 13.5656
90; 101.474; 90
3247.5Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251485 CIFC8 H10 Ag N3 O4 SeP b c a13.3558; 7.1039; 23.5974
90; 90; 90
2238.88Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251486 CIFC16 H16 Ag N5 O3 Se2P 1 21/n 17.0765; 14.922; 17.437
90; 98.577; 90
1820.7Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251487 CIFC28 H24 Ag2 N10 O6 Se4P 1 21/c 17.456; 21.169; 11.074
90; 109.36; 90
1649Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa
Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly
CrystEngComm, 2026, 28, 1206-1214
7251488 CIFC17 H21 N3 O SP 1 21/n 112.7047; 8.0199; 16.4944
90; 105.648; 90
1618.33Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.
Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.
CrystEngComm, 2026, 28, 1339-1350
7251489 CIFC17 H21 N3 O SC 1 c 113.9971; 16.3389; 7.7318
90; 114.482; 90
1609.26Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.
Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.
CrystEngComm, 2026, 28, 1339-1350
7251490 CIFC17 H21 N3 O SP 21 21 217.325; 12.993; 16.832
90; 90; 90
1602Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.
Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.
CrystEngComm, 2026, 28, 1339-1350
7251491 CIFC12 H11 N9 O4 Zn2I 4/m12.8268; 12.8268; 25.8853
90; 90; 90
4258.8Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping
A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation
CrystEngComm, 2026, 28, 1485-1488
7251492 CIFC8 H18 O13 Pb Re2P 1 21/c 17.9684; 28.1002; 7.9792
90; 100.755; 90
1755.27Charkin, Dmitri; Grishaev, Vasili; Kireev, Vadim; Volkov, Sergey; Arsent'ev, Maxim; Vorobiev, Stepan; Gosteva, Alevtina; Kompanchenko, Alena; Khasanov, Kirill; Krzhizhanovskaya, Maria; Aksenov, Sergey; Petříček, Václav
The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D space
CrystEngComm, 2026, 28, 1000-1007
7251493 CIFC13 H21 N2 O6P -17.8703; 9.391; 11.0106
72.161; 78.64; 84.085
758.69Zhang, Jing; Feng, Yi; Cao, Yun-Dong; Fan, Lin-Lin; Lv, Cai-Li; Cheng, Lei; Gao, Guang-Gang; Liu, Hong
Solvated pyromellitic acid-modified separator for stable lithium metal anodes and high-performance Li–S batteries
CrystEngComm, 2026, 28, 1135-1146
7251494 CIFC10 H11 F2 N OP 21 21 215.1128; 6.7751; 27.331
90; 90; 90
946.7Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak
Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments
CrystEngComm, 2026, 28, 1494-1507
7251495 CIFC10 H11 F2 N OP -15.1799; 9.618; 10.442
81.822; 80.772; 74.442
492Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak
Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments
CrystEngComm, 2026, 28, 1494-1507
7251496 CIFC10 H11 F2 N OP c a 2112.0624; 9.4612; 8.6588
90; 90; 90
988.18Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak
Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments
CrystEngComm, 2026, 28, 1494-1507
7251497 CIFC20 H22 F4 N2 O2P 1 21/n 19.51; 11.0959; 19.198
90; 102.991; 90
1974Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak
Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments
CrystEngComm, 2026, 28, 1494-1507
7251498 CIFC8 H13 N O6 SP 21 21 216.8391; 11.2218; 13.7253
90; 90; 90
1053.38García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio
The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study
CrystEngComm, 2026, 28, 951-961
7251499 CIFC22 H34 Cl2 Cu N6 O8P -18.1875; 8.7569; 9.8704
94.856; 103.393; 103.024
663.7García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio
The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study
CrystEngComm, 2026, 28, 951-961
7251500 CIFC7.33 H11.33 Cl0.67 N2 O2.33C 1 2/c 151.723; 7.3982; 13.4262
90; 97.297; 90
5096García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio
The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study
CrystEngComm, 2026, 28, 951-961
7251501 CIFC12 H17 N3 O6P -17.0597; 8.8765; 11.2263
89.195; 88.506; 68.574
654.65García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio
The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study
CrystEngComm, 2026, 28, 951-961
7251502 CIFC10 H10 Br2 Cl5 I2 N2 SbP 1 21/n 114.9208; 7.0913; 20.9159
90; 97.395; 90
2194.66Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds
CrystEngComm, 2026, 28, 1197-1205
7251503 CIFC10 H10 Cl7 I2 N2 SbP 1 21/n 114.5435; 7.1608; 20.82
90; 96.131; 90
2155.86Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds
CrystEngComm, 2026, 28, 1197-1205
7251504 CIFC10 H10 Bi Br2 Cl5 I2 N2P 1 21/n 114.89; 7.1531; 20.9598
90; 98.109; 90
2210.1Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds
CrystEngComm, 2026, 28, 1197-1205
7251505 CIFC10 H10 Bi Cl7 I2 N2P 1 21/n 114.5781; 7.2057; 20.8721
90; 97.312; 90
2174.69Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds
CrystEngComm, 2026, 28, 1197-1205
7251506 CIFC19 H21 Cd2 Cl4 N5 OP 1 21/n 114.665; 10.8323; 15.619
90; 105.691; 90
2388.7Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie
Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds
CrystEngComm, 2026, 28, 748-761
7251507 CIFC30 H24 Cd3 Cl6 N8P 1 21/c 110.201; 9.3121; 18.5118
90; 98.526; 90
1739.05Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie
Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds
CrystEngComm, 2026, 28, 748-761
7251508 CIFC19 H21 Cd N7 O7P 1 21/c 127.4056; 10.3739; 16.0893
90; 93.455; 90
4565.9Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie
Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds
CrystEngComm, 2026, 28, 748-761
7251509 CIFC18 H19 Cd N7 O7P b c a10.3394; 15.8855; 27.2314
90; 90; 90
4472.66Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie
Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds
CrystEngComm, 2026, 28, 748-761
7251510 CIFC5 H5 O6 ZnP 1 21/n 15.2167; 16.333; 8.1547
90; 98.052; 90
688Vakil, Farhat; Aldauij, Omar K.; Afzal, Asif; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Abdelrahman, Ehab A.
A Zn-based MOF with honeycomb topology for highly efficient iodine uptake from vapor and liquid phases: synthesis, crystal structure, topology and dual-phase sorption performance
CrystEngComm, 2026, 28, 1147-1162
7251511 CIFC43 H34 N6 O7P -19.6784; 10.806; 17.5157
77.538; 78.893; 78.392
1730.68Wzgarda-Raj, Kinga
Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals
CrystEngComm, 2026, 28, 1791-1800
7251512 CIFC69 H50 N8 O9P -18.6222; 16.8759; 20.4571
69.73; 83.52; 80.248
2747.24Wzgarda-Raj, Kinga
Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals
CrystEngComm, 2026, 28, 1791-1800
7251513 CIFC7 H10 N4 O4P 1 21/c 15.854; 16.7182; 9.2006
90; 101.171; 90
883.39Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.
Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems
CrystEngComm, 2026, 28, 1115-1124
7251514 CIFC7 H10 N4 O4P b c a13.6261; 7.1632; 18.3896
90; 90; 90
1794.94Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.
Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems
CrystEngComm, 2026, 28, 1115-1124
7251515 CIFC10 H14 N8 O8P -17.2682; 7.4476; 15.3478
89.808; 77.703; 65.604
735.9Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.
Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems
CrystEngComm, 2026, 28, 1115-1124
7251516 CIFC10 H10 N8 O4P -16.2828; 7.0513; 14.9231
85.761; 88.382; 65.266
598.83Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.
Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems
CrystEngComm, 2026, 28, 1115-1124
7251517 CIFC12 H15 N5 O4P 1 21/c 120.1096; 6.5746; 20.4108
90; 102.085; 90
2638.76Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.
Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems
CrystEngComm, 2026, 28, 1115-1124
7251518 CIFC84 H68 Cd3 N2 O16C 1 c 146.4009; 6.3419; 22.613
90; 91.963; 90
6650.4Luo, Yuqian; Lu, Yongyang; Wu, Ziqiang; Ye, Chunyin; Zhang, ChuanLei
Flexible-functionalized Cd-MOFs for photocatalytic CO2 reduction: tuning framework flexibility via ligand design
CrystEngComm, 2026, 28, 912-918
7251519 CIFC4 H14 Cu N12 O8P 1 21/n 18.3514; 8.029; 10.685
90; 102.056; 90
700.66Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan
MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis
CrystEngComm, 2026, 28, 1931-1937
7251520 CIFC3 H2 Ag N7 O2P 1 21/n 14.8266; 21.9823; 6.3898
90; 106.562; 90
649.83Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan
MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis
CrystEngComm, 2026, 28, 1931-1937
7251521 CIFC6 H12 Cu N14 O8P 1 21/c 18.0601; 9.1901; 10.8846
90; 91.301; 90
806.05Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan
MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis
CrystEngComm, 2026, 28, 1931-1937
7251522 CIFC2 H3 Ag N6 O2P 1 21/n 14.8588; 8.3454; 13.9313
90; 93.658; 90
563.74Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan
MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis
CrystEngComm, 2026, 28, 1931-1937
7251523 CIFC13 H18 Cl N13 O7 Pb2 S2P -19.7827; 11.0949; 12.8327
64.981; 77.088; 85.954
1229.78Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Castiñeiras, Alfonso; Gurbanov, Atash V.; Tutar, Ömer Faruk; Zangrando, Ennio; Panova, Elizaveta V.; Frontera, Antonio; Safin, Damir A.
A lead(ii) supramolecular coordination polymer, obtained from polydonor N′-(amino(pyrazin-2-yl)methylene)thiosemicarbazide, stabilized by tetrel bonds and other non-covalent interactions
CrystEngComm, 2026, 28, 1383-1393
7251524 CIFC23 H42 N7 Ni O19 PP 16.9004; 10.0094; 13.4169
69.587; 85.819; 89.459
866.06Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong
Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides
CrystEngComm, 2026, 28, 1286-1298

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