Crystallography Open Database

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Searching journal of publication like 'CrystEngComm' volume of publication is 25

COD ID: 7245708
CIF file Formula: - Eu2.22 Ga11 Sn35 -
Comments: Gunatilleke, Wilarachchige D. C. B.; Wong-Ng, Winnie; Zavalij, Peter Y.; Zhang, Mingjian; Chen, Yu-Sheng; Nolas, George S. Revealing uncommon transport in the previously unascertained very low cation clathrate-I Eu2Ga11Sn35 CrystEngComm 25(1) (2023) 48-52
Space group: P m -3 n
Cell volume: 1706.36
Cell parameters: 11.9497; 11.9497; 11.9497; 90; 90; 90;  

COD ID: 7245784
CIF file Formula: - C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5 -
Comments: Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition CrystEngComm 25(1) (2023) 108-113
Space group: P -1
Cell volume: 1757.78
Cell parameters: 10.7786; 12.6891; 14.2722; 77.497; 86.221; 67.301;  

COD ID: 7245826
CIF file Formula: - C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -
Comments: Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster CrystEngComm 25(1) (2023) 114-121
Space group: C 1 2/c 1
Cell volume: 28732.2
Cell parameters: 36.495; 16.3703; 60.2225; 90; 127.005; 90;  

COD ID: 7245842
CIF file Formula: - C30 H24 Br4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1380.92
Cell parameters: 10.1024; 10.91929; 13.0659; 90; 106.645; 90;  

COD ID: 7245843
CIF file Formula: - C30 H24 Br2 Cl2 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1364.85
Cell parameters: 10.1101; 10.85749; 13.0218; 90; 107.285; 90;  

COD ID: 7245844
CIF file Formula: - C30 H24 Cl4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1338.48
Cell parameters: 9.98147; 10.86524; 12.8851; 90; 106.697; 90;  

COD ID: 7245845
CIF file Formula: - C30 H24 Br2 Cl2 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1361.41
Cell parameters: 10.0967; 10.85; 13.0172; 90; 107.314; 90;  

COD ID: 7245846
CIF file Formula: - C30 H24 Br4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1383.32
Cell parameters: 10.1059; 10.9312; 13.0682; 90; 106.621; 90;  

COD ID: 7245847
CIF file Formula: - C30 H24 Cl4 N2 Ni O2 -
Comments: Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal CrystEngComm 25(3) (2023) 365-377
Space group: I 1 2 1
Cell volume: 1336.38
Cell parameters: 9.9679; 10.8655; 12.8831; 90; 106.713; 90;  

COD ID: 7245849
CIF file Formula: - C33 H33 Br3 O3 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: P -1
Cell volume: 1515.9
Cell parameters: 9.2418; 11.9961; 14.365; 87.506; 79.734; 75.312;  

COD ID: 7245850
CIF file Formula: - C33 H33 I3 O3 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: P -1
Cell volume: 1575.96
Cell parameters: 9.1331; 12.2577; 14.8298; 87.379; 80.456; 74.276;  

COD ID: 7245851
CIF file Formula: - C39 H47 I3 O4 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: P -1
Cell volume: 3868.6
Cell parameters: 16.379; 16.507; 16.949; 72.005; 70.41; 66.18;  

COD ID: 7245852
CIF file Formula: - C37 H43 Br3 O4 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: P -1
Cell volume: 1767.1
Cell parameters: 9.543; 13.487; 14.872; 112.213; 93.826; 90.32;  

COD ID: 7245853
CIF file Formula: - C33 H27 Br9 O3 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: C 1 2/c 1
Cell volume: 7764.5
Cell parameters: 26.4658; 10.9463; 27.261; 90; 100.532; 90;  

COD ID: 7245854
CIF file Formula: - C37 H40 Br6 O4 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: P 1 21/n 1
Cell volume: 3833.8
Cell parameters: 14.5959; 13.3943; 19.924; 90; 100.189; 90;  

COD ID: 7245855
CIF file Formula: - C33 H27 Br9 O3 -
Comments: Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups CrystEngComm 25(1) (2023) 137-153
Space group: P 1 21/c 1
Cell volume: 3589.9
Cell parameters: 17.7349; 23.194; 8.796; 90; 97.162; 90;  

COD ID: 7245870
CIF file Formula: - C216 H342 N18 O104 Ti30 -
Comments: Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming A close-packed Ti6 and Ti12 nanocluster superstructure CrystEngComm 25(1) (2023) 53-57
Space group: R -3 :H
Cell volume: 22734.6
Cell parameters: 30.0732; 30.0732; 29.0267; 90; 90; 120;  

COD ID: 7245871
CIF file Formula: - C9 H11 N3 O7 -
Comments: Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions CrystEngComm 25(2) (2023) 245-266
Space group: C 1 2/c 1
Cell volume: 1136.62
Cell parameters: 13.132; 6.6872; 13.2034; 90; 101.394; 90;  

COD ID: 7245875
CIF file Formula: - C70 H90 Cl4 N6 O14 S6 Zn3 -
Comments: Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand CrystEngComm 25(2) (2023) 290-298
Space group: P 1 21/n 1
Cell volume: 4009.4
Cell parameters: 11.6559; 11.4576; 30.1022; 90; 94.1818; 90;  

COD ID: 7245876
CIF file Formula: - C39 H45 N3 O9 S3 Zn -
Comments: Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand CrystEngComm 25(2) (2023) 290-298
Space group: P 1 21/c 1
Cell volume: 3992
Cell parameters: 16.4499; 25.8927; 9.3733; 90; 90.8495; 90;  

COD ID: 7245877
CIF file Formula: - C26 H20 Cu I4 N2 O6 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P 1 21/n 1
Cell volume: 1495.19
Cell parameters: 9.6199; 9.1882; 17.4611; 90; 104.355; 90;  

COD ID: 7245878
CIF file Formula: - C26 H20 Cu I4 N2 O6 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P 1 21/c 1
Cell volume: 2951.47
Cell parameters: 24.6536; 13.7854; 8.686; 90; 91.111; 90;  

COD ID: 7245879
CIF file Formula: - C37.33 H40 Cl2.67 Cu2 I2.67 N4 O4 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: C 1 2/c 1
Cell volume: 6383.4
Cell parameters: 32.1635; 7.9649; 29.8771; 90; 123.487; 90;  

COD ID: 7245880
CIF file Formula: - C19 H17 Cl Cu I2 N2 O3 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P -1
Cell volume: 1062.57
Cell parameters: 9.0941; 11.1084; 11.1815; 102.305; 103.773; 94.247;  

COD ID: 7245881
CIF file Formula: - C24 H16 Cu I4 N2 O6 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P -1
Cell volume: 695.52
Cell parameters: 7.8509; 8.4157; 10.9695; 79.902; 77.108; 87.265;  

COD ID: 7245882
CIF file Formula: - C37.6 H21.2 Cu2 I8 N4.8 O12 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P 4/m n c
Cell volume: 2880.5
Cell parameters: 11.0664; 11.0664; 23.521; 90; 90; 90;  

COD ID: 7245883
CIF file Formula: - C52 H36 Cu4 I8 N4 O12 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: I 41/a :2
Cell volume: 5979.4
Cell parameters: 17.3463; 17.3463; 19.8722; 90; 90; 90;  

COD ID: 7245884
CIF file Formula: - C52 H36 Cu4 I8 N4 O12 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: I 41/a :2
Cell volume: 6112.4
Cell parameters: 17.7967; 17.7967; 19.2988; 90; 90; 90;  

COD ID: 7245885
CIF file Formula: - C50 H47.8 Cl4 Cu3 I4 N6 O6 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P -1
Cell volume: 1374.16
Cell parameters: 8.5657; 11.8674; 13.5591; 89.25; 85.618; 89.773;  

COD ID: 7245886
CIF file Formula: - C13 H9 Cu I2 N O3 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P 1 21/c 1
Cell volume: 1462.89
Cell parameters: 9.9896; 7.298; 20.0687; 90; 90.958; 90;  

COD ID: 7245887
CIF file Formula: - C48 H28 Cu4 I8 N4 O12 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: I 41/a :2
Cell volume: 5533.5
Cell parameters: 16.9289; 16.9289; 19.3081; 90; 90; 90;  

COD ID: 7245888
CIF file Formula: - C15 H12 Cu I2 N2 O3 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P 21 21 21
Cell volume: 1800.1
Cell parameters: 5.2711; 14.3697; 23.766; 90; 90; 90;  

COD ID: 7245889
CIF file Formula: - C21 H21 Cl Cu I2 N2 O3 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: P -1
Cell volume: 1171.09
Cell parameters: 9.3176; 11.6974; 11.8686; 73.151; 71.895; 89.946;  

COD ID: 7245890
CIF file Formula: - C56 H44 Cu4 I8 N4 O12 -
Comments: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A. Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers CrystEngComm 25(1) (2023) 130-136
Space group: I 41/a :2
Cell volume: 6424
Cell parameters: 17.7012; 17.7012; 20.5023; 90; 90; 90;  

COD ID: 7245900
CIF file Formula: - C14 H20 Br4 N2 Zn -
Comments: Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission CrystEngComm 25(3) (2023) 444-449
Space group: C 1 2/c 1
Cell volume: 4045.12
Cell parameters: 27.5957; 8.2299; 17.9221; 90; 96.375; 90;  

COD ID: 7245901
CIF file Formula: - C27 H15 Br3 Cl3 N3 O3 -
Comments: Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm 25(1) (2023) 86-94
Space group: P 63
Cell volume: 1372.6
Cell parameters: 15.25; 15.25; 6.8149; 90; 90; 120;  

COD ID: 7245902
CIF file Formula: - Ag Cr2 H4 O10 Sc -
Comments: Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm 25(1) (2023) 86-94
Space group: P -1
Cell volume: 204.564
Cell parameters: 5.586; 6.054; 7.432; 110.74; 90.21; 117.34;  

COD ID: 7245903
CIF file Formula: - C14 H12 Br Cl N2 O4 -
Comments: Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm 25(1) (2023) 86-94
Space group: P 1 21/n 1
Cell volume: 1533.7
Cell parameters: 5.3058; 10.0452; 28.782; 90; 91.144; 90;  

COD ID: 7245904
CIF file Formula: - C15 H15 Br N2 O4 -
Comments: Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm 25(1) (2023) 86-94
Space group: P 1 21/n 1
Cell volume: 1569.01
Cell parameters: 5.6908; 10.0921; 27.4423; 90; 84.574; 90;  

COD ID: 7245905
CIF file Formula: - C16 H17 Br N2 O4 -
Comments: Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm 25(1) (2023) 86-94
Space group: P 1 21/c 1
Cell volume: 1688.1
Cell parameters: 11.1782; 10.3856; 15.2063; 90; 107.016; 90;  

COD ID: 7245906
CIF file Formula: - C16 H16 Br2 N2 O4 -
Comments: Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm 25(1) (2023) 86-94
Space group: P b c a
Cell volume: 3551.4
Cell parameters: 14.0434; 12.0064; 21.0629; 90; 90; 90;  

COD ID: 7245912
CIF file Formula: - C8 H6 N4 O S -
Comments: Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C. Polymorphism in carboxamide compounds with high-Z′ crystal structures CrystEngComm 25(2) (2023) 299-308
Space group: P b c a
Cell volume: 3589.4
Cell parameters: 19.883; 7.0318; 25.673; 90; 90; 90;  

COD ID: 7245913
CIF file Formula: - C8 H6 N4 O S -
Comments: Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C. Polymorphism in carboxamide compounds with high-Z′ crystal structures CrystEngComm 25(2) (2023) 299-308
Space group: P 1 21 1
Cell volume: 868.28
Cell parameters: 9.8771; 5.1276; 17.5128; 90; 101.776; 90;  

COD ID: 7245914
CIF file Formula: - C8 H6 N4 O S -
Comments: Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C. Polymorphism in carboxamide compounds with high-Z′ crystal structures CrystEngComm 25(2) (2023) 299-308
Space group: P 1 21/c 1
Cell volume: 1720.5
Cell parameters: 19.421; 11.05; 8.1836; 90; 101.58; 90;  

COD ID: 7245916
CIF file Formula: - C16 H16 N3 O5 Zn -
Comments: Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl Pillared MOFs: structure and ring opening polymerization of cyclic esters CrystEngComm 25(2) (2023) 267-283
Space group: I 1 2/a 1
Cell volume: 3514
Cell parameters: 16.112; 7.649; 29.1; 90; 101.562; 90;  

COD ID: 7245917
CIF file Formula: - C15 H38 Cl4 Gd7 N3 O32 -
Comments: Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect CrystEngComm 25(2) (2023) 309-313
Space group: P 63/m
Cell volume: 2311.31
Cell parameters: 12.1692; 12.1692; 18.022; 90; 90; 120;  

COD ID: 7245918
CIF file Formula: - C15 H38 Cl4 Dy7 N3 O32 -
Comments: Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect CrystEngComm 25(2) (2023) 309-313
Space group: P 63/m
Cell volume: 2255.73
Cell parameters: 12.0761; 12.0761; 17.8609; 90; 90; 120;  

COD ID: 7245922
CIF file Formula: - C78 H134 Dy8 N20 O46 -
Comments: Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism CrystEngComm 25(2) (2023) 225-232
Space group: P -1
Cell volume: 2628.59
Cell parameters: 10.7519; 15.0363; 17.358; 71.4304; 81.7596; 84.38;  

COD ID: 7245923
CIF file Formula: - C92 H158.39 Dy8 N18 O52 -
Comments: Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism CrystEngComm 25(2) (2023) 225-232
Space group: P -1
Cell volume: 3253.05
Cell parameters: 14.1647; 14.3993; 16.7338; 82.531; 75.268; 82.046;  

COD ID: 7245927
CIF file Formula: - C80 Cu4 F48 N6 O24 -
Comments: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain CrystEngComm 25(3) (2023) 403-416
Space group: P -1
Cell volume: 2550.8
Cell parameters: 12.2932; 13.6174; 16.6873; 110.386; 93.646; 100.428;  

COD ID: 7245928
CIF file Formula: - C70 H54 Cu3 F36 N6 O20 -
Comments: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain CrystEngComm 25(3) (2023) 403-416
Space group: P -1
Cell volume: 2337.35
Cell parameters: 11.5153; 13.8164; 15.7733; 93.479; 101.463; 106.683;  

COD ID: 7245929
CIF file Formula: - C65 H53 Cu Dy F30 N6 O18 -
Comments: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain CrystEngComm 25(3) (2023) 403-416
Space group: P 1 21/c 1
Cell volume: 8047.5
Cell parameters: 18.0904; 19.5106; 23.1862; 90; 100.466; 90;  

COD ID: 7245930
CIF file Formula: - C65 H53 Cu F30 N6 O18 Tb -
Comments: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain CrystEngComm 25(3) (2023) 403-416
Space group: P 1 21/c 1
Cell volume: 8114.8
Cell parameters: 18.073; 19.5641; 23.334; 90; 100.406; 90;  

COD ID: 7245931
CIF file Formula: - C65 H52 Cu F30 Gd N6 O18 -
Comments: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain CrystEngComm 25(3) (2023) 403-416
Space group: P 1 21/c 1
Cell volume: 8056.9
Cell parameters: 18.0555; 19.5223; 23.2514; 90; 100.561; 90;  

COD ID: 7245932
CIF file Formula: - C65 H50 Cu F30 Ho N6 O18 -
Comments: Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain CrystEngComm 25(3) (2023) 403-416
Space group: P 1 21/c 1
Cell volume: 8064.5
Cell parameters: 18.0246; 19.5088; 23.2859; 90; 99.972; 90;  

COD ID: 7245936
CIF file Formula: - C22 H14 Eu2 F4 N2 O10 S4 -
Comments: Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations CrystEngComm 25(3) (2023) 347-351
Space group: P -1
Cell volume: 846.1
Cell parameters: 9.4105; 9.5147; 9.8831; 106.078; 94.529; 92.03;  

COD ID: 7245937
CIF file Formula: - C8 H18 F2 N4 O5 S2 -
Comments: Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations CrystEngComm 25(3) (2023) 347-351
Space group: P 1 21/c 1
Cell volume: 1496.38
Cell parameters: 16.6143; 10.5019; 8.8282; 90; 103.725; 90;  

COD ID: 7245938
CIF file Formula: - C10 H4 N4 S5 -
Comments: Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V. New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes CrystEngComm 25(3) (2023) 391-402
Space group: P -1
Cell volume: 1362.33
Cell parameters: 6.6346; 13.3837; 15.6515; 88.032; 86.315; 79.276;  

COD ID: 7245939
CIF file Formula: - C18 H8 N8 S8 Te2 -
Comments: Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V. New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes CrystEngComm 25(3) (2023) 391-402
Space group: P -1
Cell volume: 663.54
Cell parameters: 7.5481; 7.7702; 12.5117; 74.645; 85.362; 69.681;  

COD ID: 7245940
CIF file Formula: - C12 H4 F4 N2 S5 -
Comments: Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V. New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes CrystEngComm 25(3) (2023) 391-402
Space group: C 1 c 1
Cell volume: 1518.2
Cell parameters: 9.8502; 10.6342; 14.8943; 90; 103.318; 90;  

COD ID: 7245941
CIF file Formula: - C11 H6 N4 S3 -
Comments: Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V. New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes CrystEngComm 25(3) (2023) 391-402
Space group: P 1 21/c 1
Cell volume: 1143.07
Cell parameters: 11.0656; 8.8374; 12.0606; 90; 104.261; 90;  

COD ID: 7245942
CIF file Formula: - C21 H6 N12 S6 Se3 -
Comments: Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V. New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes CrystEngComm 25(3) (2023) 391-402
Space group: P -1
Cell volume: 1516.63
Cell parameters: 7.3298; 7.8942; 26.3901; 95.969; 92.984; 90.116;  

COD ID: 7245945
CIF file Formula: - C36 H20 Cl2 Co N8 O4 -
Comments: Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties CrystEngComm 25(4) (2023) 683-689
Space group: P -1
Cell volume: 1530.7
Cell parameters: 8.2636; 13.032; 14.403; 83.04; 83.82; 89.68;  

COD ID: 7245946
CIF file Formula: - C72 H48 Cl4 Co3 N18 O20 -
Comments: Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties CrystEngComm 25(4) (2023) 683-689
Space group: P -1
Cell volume: 1894.17
Cell parameters: 8.7689; 14.4511; 15.1302; 85.962; 88.842; 82.075;  

COD ID: 7245947
CIF file Formula: - C18 H12 Cl Co N5 O6 -
Comments: Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties CrystEngComm 25(4) (2023) 683-689
Space group: R -3 :H
Cell volume: 9255.69
Cell parameters: 19.52525; 19.52525; 28.034; 90; 90; 120;  

COD ID: 7245949
CIF file Formula: - C30 H28 N4 O3 Zn1.5 -
Comments: Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence CrystEngComm 25(3) (2023) 484-489
Space group: I 2 2 2
Cell volume: 7595.53
Cell parameters: 29.9967; 17.1308; 14.7811; 90; 90; 90;  

COD ID: 7245950
CIF file Formula: - C30 H28 N4 O3 Zn1.5 -
Comments: Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence CrystEngComm 25(3) (2023) 484-489
Space group: I 2 2 2
Cell volume: 7653.14
Cell parameters: 14.7259; 17.3191; 30.0077; 90; 90; 90;  

COD ID: 7245951
CIF file Formula: - C10 H23 N5 S -
Comments: Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D. Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors CrystEngComm 25(4) (2023) 530-540
Space group: P 21 21 21
Cell volume: 1428.6
Cell parameters: 9.089; 11.287; 13.926; 90; 90; 90;  

COD ID: 7245952
CIF file Formula: - C15 H25 N5 S -
Comments: Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D. Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors CrystEngComm 25(4) (2023) 530-540
Space group: P b c a
Cell volume: 3435.6
Cell parameters: 9.1606; 17.221; 21.778; 90; 90; 90;  

COD ID: 7245953
CIF file Formula: - C9 H19 N3 S2 -
Comments: Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D. Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors CrystEngComm 25(4) (2023) 530-540
Space group: P b c a
Cell volume: 2489.7
Cell parameters: 10.9568; 13.7361; 16.5427; 90; 90; 90;  

COD ID: 7245954
CIF file Formula: - C11 H23.23 N3 S2 -
Comments: Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D. Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors CrystEngComm 25(4) (2023) 530-540
Space group: P n a 21
Cell volume: 2939.7
Cell parameters: 17.8848; 6.9574; 23.625; 90; 90; 90;  

COD ID: 7245955
CIF file Formula: - C13 H21 N5 S -
Comments: Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D. Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors CrystEngComm 25(4) (2023) 530-540
Space group: P 1 21/n 1
Cell volume: 1507
Cell parameters: 9.0734; 13.2194; 13.1558; 90; 107.249; 90;  

COD ID: 7245959
CIF file Formula: - C21 H15 Cu N8 O -
Comments: Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation CrystEngComm 25(3) (2023) 417-424
Space group: P 1 21/c 1
Cell volume: 1900.68
Cell parameters: 15.5585; 16.1849; 7.6725; 90; 100.337; 90;  

COD ID: 7245960
CIF file Formula: - C24 H20 Cu N9 O -
Comments: Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation CrystEngComm 25(3) (2023) 417-424
Space group: P 1 21/n 1
Cell volume: 2388
Cell parameters: 10.6532; 16.4768; 13.9291; 90; 102.397; 90;  

COD ID: 7245961
CIF file Formula: - C2.25 H1.5 Cl0.06 Cu0.25 N O1.25 -
Comments: Chen, Di-Ming; Zhang, Xue-Jing Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property CrystEngComm 25(3) (2023) 467-472
Space group: I 4/m m m
Cell volume: 4105.5
Cell parameters: 23.862; 23.862; 7.2102; 90; 90; 90;  

COD ID: 7245962
CIF file Formula: - C20 H17 Cu2 N6.5 O6.5 -
Comments: Chen, Di-Ming; Zhang, Xue-Jing Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property CrystEngComm 25(3) (2023) 467-472
Space group: P b a n :2
Cell volume: 5769.9
Cell parameters: 13.7089; 26.6171; 15.8127; 90; 90; 90;  

COD ID: 7245963
CIF file Formula: - C20 H16 Cu2 N6.5 O7.5 -
Comments: Chen, Di-Ming; Zhang, Xue-Jing Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property CrystEngComm 25(3) (2023) 467-472
Space group: P b a n :2
Cell volume: 5593.9
Cell parameters: 26.3697; 13.479; 15.7382; 90; 90; 90;  

COD ID: 7245964
CIF file Formula: - C7 H9 N3 O2 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P 1 2/n 1
Cell volume: 747.9
Cell parameters: 8.9457; 9.3395; 8.9601; 90; 92.48; 90;  

COD ID: 7245965
CIF file Formula: - C9 H13 N3 O2 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P 1 21/n 1
Cell volume: 952.13
Cell parameters: 6.9655; 9.4546; 14.4579; 90; 90.205; 90;  

COD ID: 7245966
CIF file Formula: - C8 H12 N4 O5 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P -1
Cell volume: 2131.6
Cell parameters: 9.828; 14.0136; 15.9826; 101.543; 96.517; 94.398;  

COD ID: 7245967
CIF file Formula: - C10 H15 N3 O2 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P 1 21/c 1
Cell volume: 1046.65
Cell parameters: 6.7614; 17.1948; 9.2263; 90; 102.643; 90;  

COD ID: 7245968
CIF file Formula: - C8 H11 N3 O2 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P 1 21/c 1
Cell volume: 3500.9
Cell parameters: 8.1649; 40.876; 10.4997; 90; 92.5; 90;  

COD ID: 7245969
CIF file Formula: - C10 H18 N4 O6 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P -1
Cell volume: 1344.3
Cell parameters: 9.9111; 10.2045; 15.5393; 81.938; 74.159; 62.779;  

COD ID: 7245970
CIF file Formula: - C8 H10 N4 O3 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P 1 21/n 1
Cell volume: 937.76
Cell parameters: 4.6981; 14.0421; 14.3987; 90; 99.168; 90;  

COD ID: 7245971
CIF file Formula: - C9 H14 N4 O5 -
Comments: García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine CrystEngComm 25(2) (2023) 233-244
Space group: P 1 21/c 1
Cell volume: 2385.01
Cell parameters: 9.3661; 36.0462; 7.5101; 90; 109.84; 90;  

COD ID: 7245972
CIF file Formula: - C25 H24 N7 O3 S2 Zn -
Comments: Debsharma, Kingshuk; Dey, Sunanda; Das, Dhananjoy; Halder, Satyajit; Ortega-Castro, Joaquin; Sarkar, Sarita; Dutta, Basudeb; Maity, Suvendu; Jana, Kuladip; Frontera, Antonio; Ray, Partha Pratim; Sinha, Chittaranjan Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity CrystEngComm 25(1) (2023) 162-172
Space group: C 1 2/c 1
Cell volume: 2598.5
Cell parameters: 15.916; 13.6511; 12.5195; 90; 107.201; 90;  

COD ID: 7245980
CIF file Formula: - C7 H12 Cl4 Fe N O -
Comments: González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions CrystEngComm 25(4) (2023) 579-592
Space group: P 1 21/m 1
Cell volume: 1273.7
Cell parameters: 6.4885; 14.7897; 13.388; 90; 97.518; 90;  

COD ID: 7245981
CIF file Formula: - C7 H12 Cl4 Fe N O -
Comments: González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions CrystEngComm 25(4) (2023) 579-592
Space group: P 1 21/m 1
Cell volume: 1207.35
Cell parameters: 6.445; 14.509; 13.037; 90; 97.96; 90;  

COD ID: 7245982
CIF file Formula: - C7 H13 Cl4 Fe N O1.5 -
Comments: González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions CrystEngComm 25(4) (2023) 579-592
Space group: P 1 21/m 1
Cell volume: 1262.95
Cell parameters: 6.4131; 14.5111; 13.5715; 90; 90.415; 90;  

COD ID: 7245990
CIF file Formula: - C38 H26 N4 O7 Zn -
Comments: Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media CrystEngComm 25(4) (2023) 593-600
Space group: P 1 21/n 1
Cell volume: 3142.9
Cell parameters: 15.6207; 11.8216; 17.4359; 90; 102.544; 90;  

COD ID: 7245991
CIF file Formula: - C34 H26 N4 O6 Zn -
Comments: Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media CrystEngComm 25(4) (2023) 593-600
Space group: P 1 2/c 1
Cell volume: 2927.6
Cell parameters: 24.4085; 7.3774; 16.2629; 90; 91.409; 90;  

COD ID: 7245992
CIF file Formula: - C92 H60 N8 O14 Zn2 -
Comments: Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media CrystEngComm 25(4) (2023) 593-600
Space group: P -1
Cell volume: 3700.1
Cell parameters: 15.2073; 15.9899; 17.3921; 115.193; 101.925; 92.73;  

COD ID: 7245994
CIF file Formula: - C41 H56 N6 O4 -
Comments: Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid CrystEngComm 25(4) (2023) 601-613
Space group: P 21 21 21
Cell volume: 3971
Cell parameters: 7.685; 9.764; 52.921; 90; 90; 90;  

COD ID: 7245995
CIF file Formula: - C11 H7 Cl2 Cu N O4 -
Comments: Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs CrystEngComm 25(5) (2023) 813-821
Space group: P -1
Cell volume: 629.2
Cell parameters: 7.8327; 8.7671; 10.3665; 109.953; 105.723; 95.799;  

COD ID: 7245996
CIF file Formula: - C16 H12 N2 O2 -
Comments: Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues CrystEngComm 25(3) (2023) 432-443
Space group: P 1 21/c 1
Cell volume: 1250.5
Cell parameters: 3.9181; 24.592; 13.0589; 90; 96.386; 90;  

COD ID: 7245997
CIF file Formula: - C16 H12 N2 O2 -
Comments: Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues CrystEngComm 25(3) (2023) 432-443
Space group: P 1 21/c 1
Cell volume: 1302.58
Cell parameters: 8.0931; 14.2729; 11.3085; 90; 94.304; 90;  

COD ID: 7245998
CIF file Formula: - C14 H14 N2 O2 -
Comments: Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues CrystEngComm 25(3) (2023) 432-443
Space group: P 1 21/c 1
Cell volume: 1218.3
Cell parameters: 7.4169; 14.166; 11.8164; 90; 101.101; 90;  

COD ID: 7245999
CIF file Formula: - C16 H14 N2 O3 -
Comments: Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues CrystEngComm 25(3) (2023) 432-443
Space group: P -1
Cell volume: 1370.6
Cell parameters: 7.4767; 10.7575; 17.909; 75.646; 83.673; 79.935;  

COD ID: 7246000
CIF file Formula: - C14 H14 N2 O2 -
Comments: Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues CrystEngComm 25(3) (2023) 432-443
Space group: P 1 21/c 1
Cell volume: 1233.65
Cell parameters: 6.8139; 24.3841; 7.4421; 90; 93.896; 90;  

COD ID: 7246001
CIF file Formula: - C16 H12 N2 O2 -
Comments: Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues CrystEngComm 25(3) (2023) 432-443
Space group: C 1 2/c 1
Cell volume: 2621.3
Cell parameters: 19.3362; 10.0456; 14.15; 90; 107.503; 90;  

COD ID: 7246005
CIF file Formula: - C120 H98 N12 O13 -
Comments: Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching CrystEngComm 25(3) (2023) 460-466
Space group: R -3 :H
Cell volume: 7280
Cell parameters: 40.3; 40.3; 5.176; 90; 90; 120;  

COD ID: 7246006
CIF file Formula: - C20 H16 N2 O2 -
Comments: Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching CrystEngComm 25(3) (2023) 460-466
Space group: P 1 21/c 1
Cell volume: 1656.5
Cell parameters: 8.349; 16.722; 11.913; 90; 95.15; 90;  

COD ID: 7246009
CIF file Formula: - C24 H14 O13 Tb2 -
Comments: Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm 25(10) (2023) 1479-1485
Space group: P 1 21/c 1
Cell volume: 2402
Cell parameters: 8.024; 26.656; 11.743; 90; 107.018; 90;  

COD ID: 7246010
CIF file Formula: - I O12 P3 Pb5 -
Comments: Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm 25(10) (2023) 1479-1485
Space group: P 63/m
Cell volume: 636.796
Cell parameters: 9.9148; 9.9148; 7.48; 90; 90; 120;  

COD ID: 7246011
CIF file Formula: - C14 H14 Cu N4 O10 -
Comments: Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm 25(10) (2023) 1479-1485
Space group: P -1
Cell volume: 406.56
Cell parameters: 5.1171; 7.2429; 11.4209; 85.712; 77.27; 80.208;  

COD ID: 7246012
CIF file Formula: - C7 H7 Cu0.5 N2 O5 -
Comments: Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm 25(10) (2023) 1479-1485
Space group: P -1
Cell volume: 399.15
Cell parameters: 5.0894; 7.1344; 11.405; 86.127; 77.266; 81.424;  

COD ID: 7246013
CIF file Formula: - C17 H16 Cu N2 O8 -
Comments: Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions CrystEngComm 25(10) (2023) 1479-1485
Space group: P 1 21/c 1
Cell volume: 1657.05
Cell parameters: 10.5484; 22.2344; 7.2264; 90; 102.125; 90;  

COD ID: 7246015
CIF file Formula: - C22 H28 N10 O6 Zn -
Comments: Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study CrystEngComm 25(5) (2023) 866-876
Space group: C 1 2/c 1
Cell volume: 2610
Cell parameters: 23.393; 8.6036; 13.597; 90; 107.497; 90;  

COD ID: 7246016
CIF file Formula: - C11 H14 Cl3 N5 O2 Zn -
Comments: Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study CrystEngComm 25(5) (2023) 866-876
Space group: P 1 21/c 1
Cell volume: 1693.5
Cell parameters: 9.473; 13.927; 13.293; 90; 105.063; 90;  

COD ID: 7246017
CIF file Formula: - C33 H20 N2 O4 S6 -
Comments: Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity CrystEngComm 25(4) (2023) 508-512
Space group: P -1
Cell volume: 1931.2
Cell parameters: 6.9649; 13.9228; 21.536; 106.716; 91.562; 103.885;  

COD ID: 7246018
CIF file Formula: - C33 H20 N2 O4 S6 -
Comments: Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity CrystEngComm 25(4) (2023) 508-512
Space group: P 1 21/c 1
Cell volume: 4023.7
Cell parameters: 6.261; 19.6413; 32.8415; 90; 94.938; 90;  

COD ID: 7246019
CIF file Formula: - C8 H19 N O3 -
Comments: Bosits, Miklós H.; Bereczki, Laura; Bombicz, Petra; Szalay, Zsófia; Pataki, Hajnalka; Demeter, Ádám Design of diastereomeric salt resolution via multicomponent system characterization: a case study with hydrate formation CrystEngComm 25(4) (2023) 641-652
Space group: P -1
Cell volume: 558.4
Cell parameters: 6.1; 6.259; 15.42; 85.66; 80.031; 74.466;  

COD ID: 7246020
CIF file Formula: - C19 H21 N5 O4 -
Comments: Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T. Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine CrystEngComm 25(5) (2023) 798-812
Space group: P 1 21/c 1
Cell volume: 7234.95
Cell parameters: 18.40122; 17.9816; 22.503; 90; 103.67; 90;  

COD ID: 7246021
CIF file Formula: - C19 H21 N5 O4 -
Comments: Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T. Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine CrystEngComm 25(5) (2023) 798-812
Space group: P 1 21/n 1
Cell volume: 1881.1
Cell parameters: 7.85094; 17.15939; 14.25371; 90; 101.586; 90;  

COD ID: 7246024
CIF file Formula: - C18 H20 Ag2 I3 N3 -
Comments: Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores CrystEngComm 25(4) (2023) 632-640
Space group: P 1 21/n 1
Cell volume: 2334.8
Cell parameters: 16.053; 7.0422; 21.68; 90; 107.705; 90;  

COD ID: 7246025
CIF file Formula: - C17 H21 Ag2 I3 N2 O -
Comments: Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores CrystEngComm 25(4) (2023) 632-640
Space group: P 1 21/c 1
Cell volume: 2212.1
Cell parameters: 7.1992; 13.5373; 22.6977; 90; 90.181; 90;  

COD ID: 7246026
CIF file Formula: - C36 H46 Ag5 I7 N4 O4 -
Comments: Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores CrystEngComm 25(4) (2023) 632-640
Space group: P -1
Cell volume: 2455.1
Cell parameters: 8.1248; 13.8287; 22.9897; 100.297; 93.606; 103.612;  

COD ID: 7246027
CIF file Formula: - C7 H10 N2 O3 S -
Comments: Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium CrystEngComm 25(5) (2023) 822-827
Space group: P 1 21/n 1
Cell volume: 909.29
Cell parameters: 6.6663; 12.5943; 10.8361; 90; 91.856; 90;  

COD ID: 7246028
CIF file Formula: - C7 H10 N2 O4 S -
Comments: Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium CrystEngComm 25(5) (2023) 822-827
Space group: P n m a
Cell volume: 928.78
Cell parameters: 12.6831; 10.8758; 6.7333; 90; 90; 90;  

COD ID: 7246029
CIF file Formula: - C7 H10 N2 O4 S -
Comments: Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium CrystEngComm 25(5) (2023) 822-827
Space group: P n m a
Cell volume: 922.3
Cell parameters: 12.6737; 10.861; 6.7004; 90; 90; 90;  

COD ID: 7246035
CIF file Formula: - C7 H8 O6 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P 1 2/n 1
Cell volume: 769.1
Cell parameters: 14.192; 3.6287; 15.065; 90; 97.547; 90;  

COD ID: 7246036
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1376.1
Cell parameters: 11.839; 11.905; 12.412; 93.001; 116.196; 113.954;  

COD ID: 7246037
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1382.2
Cell parameters: 11.855; 11.927; 12.429; 93.021; 116.163; 113.993;  

COD ID: 7246038
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1334.57
Cell parameters: 11.7567; 11.7617; 12.4158; 92.673; 115.837; 115.556;  

COD ID: 7246039
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1367.1
Cell parameters: 11.819; 11.875; 12.418; 92.958; 116.097; 114.336;  

COD ID: 7246040
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1334.57
Cell parameters: 11.7567; 11.7617; 12.4158; 92.673; 115.837; 115.556;  

COD ID: 7246041
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1334.57
Cell parameters: 11.7567; 11.7617; 12.4158; 92.673; 115.837; 115.556;  

COD ID: 7246042
CIF file Formula: - C13 H14 N O8.5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 1379.8
Cell parameters: 11.849; 11.915; 12.432; 92.987; 116.174; 114.04;  

COD ID: 7246043
CIF file Formula: - C7 H6 O5 -
Comments: Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate CrystEngComm 25(5) (2023) 770-784
Space group: P -1
Cell volume: 700
Cell parameters: 7.37; 8.24; 11.73; 79.49; 89.55; 89.28;  

COD ID: 7246045
CIF file Formula: - C46 H56 Dy5 N3 O24 -
Comments: Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint CrystEngComm 25(4) (2023) 614-621
Space group: P 1 21/n 1
Cell volume: 5742.6
Cell parameters: 10.9825; 22.9575; 23.0079; 90; 98.137; 90;  

COD ID: 7246046
CIF file Formula: - C60 H60 Cl6 Dy4 N6 O14 -
Comments: Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint CrystEngComm 25(4) (2023) 614-621
Space group: P -1
Cell volume: 1803.23
Cell parameters: 10.925; 11.2522; 16.2537; 96.322; 98.838; 111.745;  

COD ID: 7246047
CIF file Formula: - C82 H84 Dy6 N6 O32 -
Comments: Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint CrystEngComm 25(4) (2023) 614-621
Space group: P b c a
Cell volume: 9065.9
Cell parameters: 22.636; 16.7245; 23.9473; 90; 90; 90;  

COD ID: 7246048
CIF file Formula: - C62 H60 Dy2 N6 O14 -
Comments: Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint CrystEngComm 25(4) (2023) 614-621
Space group: P -1
Cell volume: 3382.9
Cell parameters: 14.1814; 15.2007; 17.7267; 79.139; 89.186; 64.683;  

COD ID: 7246053
CIF file Formula: - C30 H36 Co2 N4 O9.33 S -
Comments: Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices CrystEngComm 25(6) (2023) 1006-1017
Space group: C 1 2 1
Cell volume: 10342.1
Cell parameters: 19.733; 11.4151; 45.913; 90; 90.061; 90;  

COD ID: 7246054
CIF file Formula: - C34 H44 Co2 N4 O9 S2 -
Comments: Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices CrystEngComm 25(6) (2023) 1006-1017
Space group: P -1
Cell volume: 1959.2
Cell parameters: 10.9212; 11.0738; 18.188; 81.668; 83.745; 64.344;  

COD ID: 7246059
CIF file Formula: - C36 H28 Cl2 N10 Ni -
Comments: Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions CrystEngComm 25(5) (2023) 848-858
Space group: P 1 2/c 1
Cell volume: 2073.98
Cell parameters: 12.0496; 10.0022; 17.5237; 90; 100.888; 90;  

COD ID: 7246060
CIF file Formula: - C18 H15 N5 O -
Comments: Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions CrystEngComm 25(5) (2023) 848-858
Space group: P -1
Cell volume: 799.2
Cell parameters: 8.9394; 9.4121; 10.6613; 72.028; 70.686; 77.774;  

COD ID: 7246061
CIF file Formula: - C18 H13 Cl N5 -
Comments: Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions CrystEngComm 25(5) (2023) 848-858
Space group: P -1
Cell volume: 782
Cell parameters: 7.623; 10.098; 11.325; 110.36; 103.14; 95.07;  

COD ID: 7246062
CIF file Formula: - C36 H41 Cl Co N10 O8 -
Comments: Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions CrystEngComm 25(5) (2023) 848-858
Space group: P 1 2/c 1
Cell volume: 4165.16
Cell parameters: 24.2098; 10.0344; 17.4741; 90; 101.13; 90;  

COD ID: 7246063
CIF file Formula: - C266 H377 Cu12 Dy14 N30 O119.5 -
Comments: Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster CrystEngComm 25(1) (2023) 114-121
Space group: P -1
Cell volume: 8161.1
Cell parameters: 18.1682; 21.115; 23.715; 90.108; 109.627; 106.649;  

COD ID: 7246064
CIF file Formula: - C6 H3 N3 O2 S -
Comments: Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole CrystEngComm 25(5) (2023) 859-865
Space group: P 1 c 1
Cell volume: 355
Cell parameters: 3.812; 8.905; 10.498; 90; 95.02; 90;  

COD ID: 7246065
CIF file Formula: - C32 H25 O17.5 Zn3 -
Comments: He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+ CrystEngComm 25(2) (2023) 328-336
Space group: P 1 21/n 1
Cell volume: 3183.92
Cell parameters: 8.4102; 24.2114; 15.6405; 90; 91.32; 90;  

COD ID: 7246066
CIF file Formula: - C16 H13 N0 O9.5 Zn2 -
Comments: He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+ CrystEngComm 25(2) (2023) 328-336
Space group: P -1
Cell volume: 951.42
Cell parameters: 7.1877; 10.8583; 12.6345; 104.476; 91.4; 94.091;  

COD ID: 7246067
CIF file Formula: - C57 H56 N10 O15.5 Zn3 -
Comments: He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+ CrystEngComm 25(2) (2023) 328-336
Space group: P 1 21/c 1
Cell volume: 5788.6
Cell parameters: 24.416; 13.1343; 18.2143; 90; 97.684; 90;  

COD ID: 7246077
CIF file Formula: - C108 H141 Co7 Dy N15 O43 -
Comments: Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior CrystEngComm 25(5) (2023) 726-737
Space group: P 1 21/n 1
Cell volume: 12378.9
Cell parameters: 23.2569; 19.241; 28.2143; 90; 101.344; 90;  

COD ID: 7246078
CIF file Formula: - C48 H55 Co2 Dy2 N12 O25.5 -
Comments: Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior CrystEngComm 25(5) (2023) 726-737
Space group: P -1
Cell volume: 2956.3
Cell parameters: 11.9878; 13.463; 19.444; 103.072; 97.912; 100.201;  

COD ID: 7246079
CIF file Formula: - C30 H16 N4 -
Comments: Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R. The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4) CrystEngComm 25(5) (2023) 828-834
Space group: P -1
Cell volume: 1261
Cell parameters: 6.8; 11.2; 17.7; 78.4; 83.9; 72.9;  

COD ID: 7246080
CIF file Formula: - C30 H14 F2 N4 -
Comments: Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R. The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4) CrystEngComm 25(5) (2023) 828-834
Space group: P 1 21/c 1
Cell volume: 2150
Cell parameters: 9.4; 7.18; 32.2; 90; 98.4; 90;  

COD ID: 7246081
CIF file Formula: - C30 H12 F4 N4 -
Comments: Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R. The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4) CrystEngComm 25(5) (2023) 828-834
Space group: C 1 2/c 1
Cell volume: 2173
Cell parameters: 17.8; 17.4; 9.2; 90; 130.3; 90;  

COD ID: 7246082
CIF file Formula: - C66 H76 F10 N4 -
Comments: Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions CrystEngComm 25(5) (2023) 785-797
Space group: C 1 2/c 1
Cell volume: 9082
Cell parameters: 20.123; 21.977; 20.646; 90; 95.924; 90;  

COD ID: 7246083
CIF file Formula: - C24 H24 Co N6 O4 -
Comments: Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions CrystEngComm 25(5) (2023) 785-797
Space group: C 1 2/c 1
Cell volume: 4694
Cell parameters: 22.241; 10.099; 20.932; 90; 93.166; 90;  

COD ID: 7246084
CIF file Formula: - C23 H20 N8 O10 Zn2 -
Comments: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework CrystEngComm 25(7) (2023) 1116-1125
Space group: P -1
Cell volume: 1461.2
Cell parameters: 8.94; 12.233; 14.394; 87.621; 72.178; 77.266;  

COD ID: 7246085
CIF file Formula: - C22 H20 N8 O10 Zn2 -
Comments: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework CrystEngComm 25(7) (2023) 1116-1125
Space group: P -1
Cell volume: 634.41
Cell parameters: 8.1969; 9.3522; 10.159; 104.479; 113.104; 105.177;  

COD ID: 7246086
CIF file Formula: - C23 H20 Cd2 N8 O10 -
Comments: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework CrystEngComm 25(7) (2023) 1116-1125
Space group: P 1 21/c 1
Cell volume: 2818.9
Cell parameters: 10.8004; 15.8656; 16.4535; 90; 91.071; 90;  

COD ID: 7246087
CIF file Formula: - C23 H18 N8 O10 Zn2 -
Comments: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework CrystEngComm 25(7) (2023) 1116-1125
Space group: P -1
Cell volume: 1441.05
Cell parameters: 8.7683; 12.2482; 14.431; 87.618; 72.671; 77.004;  

COD ID: 7246088
CIF file Formula: - C23 H20 Cd2 N8 O10 -
Comments: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework CrystEngComm 25(7) (2023) 1116-1125
Space group: P 1 21/c 1
Cell volume: 2823.9
Cell parameters: 10.8053; 15.8625; 16.4783; 90; 90.987; 90;  

COD ID: 7246089
CIF file Formula: - C18 H21 Cd N8 O8 -
Comments: Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework CrystEngComm 25(7) (2023) 1116-1125
Space group: P 1
Cell volume: 582.78
Cell parameters: 8.4948; 8.8675; 9.1411; 62.811; 72.947; 87.063;  

COD ID: 7246090
CIF file Formula: - C28 H32 Cl N5 O10 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P -1
Cell volume: 1434.9
Cell parameters: 10.639; 11.7; 13.178; 77.2; 75.01; 66;  

COD ID: 7246091
CIF file Formula: - C29 H30 Cl N5 O5 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P -1
Cell volume: 1345.1
Cell parameters: 9.761; 10.491; 14.285; 69.04; 80.93; 82.77;  

COD ID: 7246092
CIF file Formula: - C25 H30 Cl N5 O5 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P -1
Cell volume: 1269.3
Cell parameters: 11.189; 11.669; 12.054; 102.4; 113.18; 108.06;  

COD ID: 7246093
CIF file Formula: - C24 H29 Cl N5 O5 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P -1
Cell volume: 1215.1
Cell parameters: 10.615; 11.596; 11.894; 101.11; 111.12; 108.46;  

COD ID: 7246094
CIF file Formula: - C25 H24 Cl N5 O6 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P 1 21/c 1
Cell volume: 2474.3
Cell parameters: 24.266; 6.249; 17.38; 90; 110.14; 90;  

COD ID: 7246095
CIF file Formula: - C24 H25 Cl N5 O6 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P 1 21/n 1
Cell volume: 2377.4
Cell parameters: 14.917; 10.099; 16.199; 90; 103.04; 90;  

COD ID: 7246096
CIF file Formula: - C27 H28 Cl N7 O4 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P 1 21/c 1
Cell volume: 2596
Cell parameters: 18.068; 9.615; 16.759; 90; 116.929; 90;  

COD ID: 7246097
CIF file Formula: - C24 H28 Cl N5 O5 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P -1
Cell volume: 1155.8
Cell parameters: 10.4; 11.282; 11.611; 103.39; 108.85; 106.42;  

COD ID: 7246098
CIF file Formula: - C29 H30 Cl N5 O6 -
Comments: Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation CrystEngComm 25(4) (2023) 513-524
Space group: P 1 21/n 1
Cell volume: 2768.7
Cell parameters: 12.954; 10.892; 19.82; 90; 98.09; 90;  

COD ID: 7246099
CIF file Formula: - Eu K5 Mo4 O16 -
Comments: Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I. K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques CrystEngComm 25(5) (2023) 835-847
Space group: C 1 2/m 1
Cell volume: 428.831
Cell parameters: 10.37099; 5.98542; 7.72496; 90; 116.584; 90;  

COD ID: 7246100
CIF file Formula: - C16 H10 Br2 O -
Comments: Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M. Solvent induced conformational polymorphism CrystEngComm 25(6) (2023) 971-980
Space group: P n a 21
Cell volume: 1400
Cell parameters: 8.278; 13.527; 12.503; 90; 90; 90;  

COD ID: 7246101
CIF file Formula: - C16 H10 Br2 O -
Comments: Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M. Solvent induced conformational polymorphism CrystEngComm 25(6) (2023) 971-980
Space group: P n m a
Cell volume: 1389.25
Cell parameters: 6.3129; 30.172; 7.2937; 90; 90; 90;  

COD ID: 7246102
CIF file Formula: - C16 H10 Br2 O -
Comments: Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M. Solvent induced conformational polymorphism CrystEngComm 25(6) (2023) 971-980
Space group: P 21 21 21
Cell volume: 1388.8
Cell parameters: 4.1264; 10.7891; 31.194; 90; 90; 90;  

COD ID: 7246103
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 658.51
Cell parameters: 8.6693; 7.9704; 9.8968; 90; 105.644; 90;  

COD ID: 7246104
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 560.77
Cell parameters: 8.5435; 7.5706; 9.2993; 90; 111.2; 90;  

COD ID: 7246105
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 643.22
Cell parameters: 8.6626; 7.9208; 9.782; 90; 106.599; 90;  

COD ID: 7246106
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 547.3
Cell parameters: 8.496; 7.51; 9.249; 90; 111.96; 90;  

COD ID: 7246107
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 624.08
Cell parameters: 8.6512; 7.8496; 9.6513; 90; 107.785; 90;  

COD ID: 7246108
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 632.91
Cell parameters: 8.6567; 7.8828; 9.7114; 90; 107.244; 90;  

COD ID: 7246109
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 616.61
Cell parameters: 8.6419; 7.8197; 9.6036; 90; 108.174; 90;  

COD ID: 7246110
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 650.17
Cell parameters: 8.672; 7.9508; 9.8213; 90; 106.235; 90;  

COD ID: 7246111
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 589.7
Cell parameters: 8.616; 7.706; 9.438; 90; 109.78; 90;  

COD ID: 7246112
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 600.17
Cell parameters: 8.6285; 7.7531; 9.4944; 90; 109.104; 90;  

COD ID: 7246113
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 577.77
Cell parameters: 8.5889; 7.6517; 9.3709; 90; 110.256; 90;  

COD ID: 7246114
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 553.07
Cell parameters: 8.526; 7.5312; 9.2654; 90; 111.625; 90;  

COD ID: 7246115
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 567.76
Cell parameters: 8.562; 7.6058; 9.3306; 90; 110.868; 90;  

COD ID: 7246116
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 570.35
Cell parameters: 8.574; 7.6158; 9.3347; 90; 110.657; 90;  

COD ID: 7246117
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 607.49
Cell parameters: 8.6334; 7.7827; 9.5468; 90; 108.729; 90;  

COD ID: 7246118
CIF file Formula: - C3 H8 N O5 P -
Comments: Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon Discerning subtle high-pressure phase transitions in glyphosate CrystEngComm 25(6) (2023) 988-997
Space group: P 1 21/c 1
Cell volume: 593.61
Cell parameters: 8.6185; 7.7238; 9.4573; 90; 109.454; 90;  

COD ID: 7246127
CIF file Formula: - C9 H12 N6 O2 -
Comments: Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core CrystEngComm 25(6) (2023) 1018-1028
Space group: P -1
Cell volume: 521.98
Cell parameters: 8.1197; 8.363; 8.3902; 94.326; 99.044; 110.439;  

COD ID: 7246128
CIF file Formula: - C8 H9 I N6 O -
Comments: Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core CrystEngComm 25(6) (2023) 1018-1028
Space group: P -1
Cell volume: 532.2
Cell parameters: 7.8788; 8.8064; 8.8494; 115.81; 99.266; 97.192;  

COD ID: 7246129
CIF file Formula: - C11 H16 N6 O3 -
Comments: Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core CrystEngComm 25(6) (2023) 1018-1028
Space group: P -1
Cell volume: 638.89
Cell parameters: 8.0907; 8.6941; 10.2522; 72.622; 88.326; 68.746;  

COD ID: 7246130
CIF file Formula: - C11 H14 N6 O2 -
Comments: Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core CrystEngComm 25(6) (2023) 1018-1028
Space group: P -1
Cell volume: 1232.3
Cell parameters: 9.9536; 10.7657; 13.1905; 80.79; 76.962; 63.772;  

COD ID: 7246131
CIF file Formula: - C22 H34 N12 O7 -
Comments: Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core CrystEngComm 25(6) (2023) 1018-1028
Space group: C 1 2/c 1
Cell volume: 2736.85
Cell parameters: 11.8893; 18.4452; 12.5023; 90; 93.4284; 90;  

COD ID: 7246132
CIF file Formula: - C11 H18 N6 O4 -
Comments: Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core CrystEngComm 25(6) (2023) 1018-1028
Space group: C 1 2/c 1
Cell volume: 2808.77
Cell parameters: 22.3831; 6.8419; 20.4027; 90; 115.981; 90;  

COD ID: 7246133
CIF file Formula: - C35 H28 N2 O6 -
Comments: Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine CrystEngComm 25(6) (2023) 909-912
Space group: P 1 21/n 1
Cell volume: 2893.9
Cell parameters: 8.6213; 36.7554; 9.9466; 90; 113.343; 90;  

COD ID: 7246140
CIF file Formula: - C33 H24 O8 -
Comments: Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation CrystEngComm 25(7) (2023) 1058-1066
Space group: P -1
Cell volume: 1252.89
Cell parameters: 7.908; 9.8092; 17.5752; 86.93; 78.372; 69.784;  

COD ID: 7246141
CIF file Formula: - C33 H26 Cd2 O11 -
Comments: Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation CrystEngComm 25(7) (2023) 1058-1066
Space group: C m c 21
Cell volume: 6632
Cell parameters: 27.4335; 18.9368; 12.766; 90; 90; 90;  

COD ID: 7246142
CIF file Formula: - C33 H36 Cd2 O16 -
Comments: Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation CrystEngComm 25(7) (2023) 1058-1066
Space group: P -1
Cell volume: 1677.93
Cell parameters: 7.794; 14.7078; 15.9272; 67.884; 86.175; 82.86;  

COD ID: 7246143
CIF file Formula: - C29 H20 Br4 -
Comments: Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation CrystEngComm 25(7) (2023) 1058-1066
Space group: P 1 21/c 1
Cell volume: 2410.6
Cell parameters: 8.7984; 16.7929; 16.479; 90; 98.082; 90;  

COD ID: 7246155
CIF file Formula: - C64 H60 Ca2 N24 O34 S4 -
Comments: Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl 4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics CrystEngComm 25(6) (2023) 961-970
Space group: P -1
Cell volume: 4591
Cell parameters: 10.493; 15.94; 28.368; 95.591; 94.067; 102.427;  

COD ID: 7246156
CIF file Formula: - C64 H60 Ba2 N24 O31 S4 -
Comments: Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl 4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics CrystEngComm 25(6) (2023) 961-970
Space group: P -1
Cell volume: 4585
Cell parameters: 15.569; 17.153; 19.58; 106.089; 104.52; 103.928;  

COD ID: 7246157
CIF file Formula: - C52 H51 N24 O22 S2 Sr -
Comments: Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl 4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics CrystEngComm 25(6) (2023) 961-970
Space group: P 1 21/c 1
Cell volume: 7771
Cell parameters: 20.282; 15.713; 24.849; 90; 101.101; 90;  

COD ID: 7246180
CIF file Formula: - C52 H51 Co2 N16 O54 P W12 -
Comments: Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand CrystEngComm 25(15) (2023) 2185-2195
Space group: P -1
Cell volume: 2073.8
Cell parameters: 12.3693; 13.7755; 13.7884; 66.873; 73.72; 84.454;  

COD ID: 7246181
CIF file Formula: - C26 H26 Ag Mo12 N8 O46 P -
Comments: Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand CrystEngComm 25(15) (2023) 2185-2195
Space group: P -1
Cell volume: 2818.7
Cell parameters: 13.2416; 13.5875; 16.296; 87.365; 74.269; 88.263;  

COD ID: 7246182
CIF file Formula: - C26 H26 Ag N8 O46 P W12 -
Comments: Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand CrystEngComm 25(15) (2023) 2185-2195
Space group: P -1
Cell volume: 2834.55
Cell parameters: 13.2571; 13.5874; 16.3513; 87.088; 74.542; 88.095;  

COD ID: 7246183
CIF file Formula: - C26 H27 Ag Mo12 N8 O46 Si -
Comments: Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand CrystEngComm 25(15) (2023) 2185-2195
Space group: P -1
Cell volume: 2769.62
Cell parameters: 13.1265; 13.5756; 16.1574; 87.674; 74.37; 87.989;  

COD ID: 7246184
CIF file Formula: - C52 H47 N16 Ni2 O52 P W12 -
Comments: Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand CrystEngComm 25(15) (2023) 2185-2195
Space group: P 1 2/n 1
Cell volume: 4077.4
Cell parameters: 17.2241; 13.6928; 17.4462; 90; 97.709; 90;  

COD ID: 7246190
CIF file Formula: - C23 H28 N8 O7 -
Comments: Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution CrystEngComm 25(8) (2023) 1220-1231
Space group: P -1
Cell volume: 1270.29
Cell parameters: 7.9637; 9.4953; 17.6571; 104.23; 95.441; 97.9255;  

COD ID: 7246191
CIF file Formula: - C18 H21 F N6 O5 -
Comments: Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution CrystEngComm 25(8) (2023) 1220-1231
Space group: P -1
Cell volume: 966.89
Cell parameters: 8.5911; 8.6242; 13.5809; 105.737; 90.1053; 93.157;  

COD ID: 7246192
CIF file Formula: - C20 H24 N4 O5 -
Comments: Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution CrystEngComm 25(8) (2023) 1220-1231
Space group: P -1
Cell volume: 993.38
Cell parameters: 9.0355; 10.9956; 11.9267; 108.007; 111.568; 99.678;  

COD ID: 7246193
CIF file Formula: - C19 H26 N6 O6 -
Comments: Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution CrystEngComm 25(8) (2023) 1220-1231
Space group: P 1 21/n 1
Cell volume: 4352.6
Cell parameters: 11.2418; 16.0951; 24.413; 90; 99.814; 90;  

COD ID: 7246194
CIF file Formula: - C27 H18 O2 S -
Comments: Chakraborty, Madhuparna; Chakravarty, Manab Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters CrystEngComm 25(7) (2023) 1126-1135
Space group: P -1
Cell volume: 1170.74
Cell parameters: 9.2745; 9.8947; 13.565; 83.663; 81.113; 72.576;  

COD ID: 7246195
CIF file Formula: - C14 H10 O S0.5 -
Comments: Chakraborty, Madhuparna; Chakravarty, Manab Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters CrystEngComm 25(7) (2023) 1126-1135
Space group: P -1
Cell volume: 1030.78
Cell parameters: 8.9516; 10.6649; 12.0474; 81.82; 77.034; 67.133;  

COD ID: 7246196
CIF file Formula: - C32 H26 O4 -
Comments: Chakraborty, Madhuparna; Chakravarty, Manab Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters CrystEngComm 25(7) (2023) 1126-1135
Space group: P 1 21 1
Cell volume: 2418.67
Cell parameters: 12.0602; 8.4487; 23.7592; 90; 92.455; 90;  

COD ID: 7246197
CIF file Formula: - C31 H24 O4 -
Comments: Chakraborty, Madhuparna; Chakravarty, Manab Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters CrystEngComm 25(7) (2023) 1126-1135
Space group: P 1 21/c 1
Cell volume: 4678.22
Cell parameters: 15.2306; 33.5647; 9.1666; 90; 93.316; 90;  

COD ID: 7246198
CIF file Formula: - C19 H16 N4 Ni O2 S2 Zn -
Comments: Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand CrystEngComm 25(9) (2023) 1393-1402
Space group: P b c a
Cell volume: 4150
Cell parameters: 14.866; 16.411; 17.012; 90; 90; 90;  

COD ID: 7246199
CIF file Formula: - C38 H32 Hg2 N8 Ni2 O4 S4 -
Comments: Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand CrystEngComm 25(9) (2023) 1393-1402
Space group: P -1
Cell volume: 1026.5
Cell parameters: 9.222; 9.277; 13.294; 75.339; 74.263; 72.671;  

COD ID: 7246202
CIF file Formula: - C64 H54 Co2 N8 O15 S2 -
Comments: Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids CrystEngComm 25(7) (2023) 1186-1192
Space group: P b c a
Cell volume: 6509.1
Cell parameters: 19.4327; 9.488; 35.303; 90; 90; 90;  

COD ID: 7246203
CIF file Formula: - C32 H30 N4 Ni O10 S -
Comments: Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids CrystEngComm 25(7) (2023) 1186-1192
Space group: P -1
Cell volume: 1546.2
Cell parameters: 9.2921; 13.1111; 13.6693; 76.752; 73.666; 80.394;  

COD ID: 7246204
CIF file Formula: - C32 H30 Cd N4 O10 S -
Comments: Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids CrystEngComm 25(7) (2023) 1186-1192
Space group: P -1
Cell volume: 1603.94
Cell parameters: 9.2776; 13.4671; 13.8215; 75.836; 75.089; 79.265;  

COD ID: 7246205
CIF file Formula: - C32 H27.75 N4 O8 S Zn -
Comments: Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids CrystEngComm 25(7) (2023) 1186-1192
Space group: P -1
Cell volume: 3091.4
Cell parameters: 13.0347; 15.9789; 16.0282; 70.535; 79.28; 87.925;  

COD ID: 7246219
CIF file Formula: - C18 H15 N O4 -
Comments: Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI CrystEngComm 25(8) (2023) 1313-1318
Space group: P 21 21 21
Cell volume: 1488.79
Cell parameters: 3.958; 18.2868; 20.5693; 90; 90; 90;  

COD ID: 7246220
CIF file Formula: - C16 Cd Cl4 F2 N2 -
Comments: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] CrystEngComm 25(8) (2023) 1270-1275
Space group: P 1 21/c 1
Cell volume: 1071.27
Cell parameters: 19.0475; 7.487; 7.5538; 90; 96.033; 90;  

COD ID: 7246221
CIF file Formula: - C16 Cd Cl4 F2 N2 -
Comments: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] CrystEngComm 25(8) (2023) 1270-1275
Space group: I 4/m m m
Cell volume: 1138.9
Cell parameters: 5.3186; 5.3186; 40.261; 90; 90; 90;  

COD ID: 7246222
CIF file Formula: - C16 Cd Cl4 N2 -
Comments: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] CrystEngComm 25(8) (2023) 1270-1275
Space group: I 4/m m m
Cell volume: 1114.16
Cell parameters: 5.3091; 5.3091; 39.5281; 90; 90; 90;  

COD ID: 7246223
CIF file Formula: - C16 H22 Cd Cl4 F2 N2 -
Comments: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] CrystEngComm 25(8) (2023) 1270-1275
Space group: P 1 21/c 1
Cell volume: 1095.31
Cell parameters: 20.0721; 7.3523; 7.4427; 90; 94.274; 90;  

COD ID: 7246224
CIF file Formula: - C16 Cd Cl4 F2 N2 -
Comments: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] CrystEngComm 25(8) (2023) 1270-1275
Space group: I 4/m m m
Cell volume: 1139.24
Cell parameters: 5.2977; 5.2977; 40.592; 90; 90; 90;  

COD ID: 7246225
CIF file Formula: - C16 H24 Cd Cl4 N2 -
Comments: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] CrystEngComm 25(8) (2023) 1270-1275
Space group: P b c a
Cell volume: 2136.9
Cell parameters: 7.3756; 7.4398; 38.942; 90; 90; 90;  

COD ID: 7246227
CIF file Formula: - C19 H17 N3 O6 S -
Comments: Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M. Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids CrystEngComm 25(8) (2023) 1301-1312
Space group: P 1 21/n 1
Cell volume: 1907.15
Cell parameters: 17.7039; 19.5216; 5.51938; 90; 91.1706; 90;  

COD ID: 7246228
CIF file Formula: - C17 H15 N3 O6 S -
Comments: Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M. Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids CrystEngComm 25(8) (2023) 1301-1312
Space group: C 1 c 1
Cell volume: 1797.66
Cell parameters: 26.15106; 5.62505; 16.88572; 90; 46.3627; 90;  

COD ID: 7246238
CIF file Formula: - C20 H12 N2 O5 Zn -
Comments: Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT CrystEngComm 25(11) (2023) 1626-1636
Space group: P 1 2/n 1
Cell volume: 2035.64
Cell parameters: 14.2119; 9.8544; 14.989; 90; 104.136; 90;  

COD ID: 7246239
CIF file Formula: - C12 H12 Fe2 N6 O12 -
Comments: Tang, Wenlei; Shao, Zhen-Wu; Xiong, Li; Zhang, Zhiyuan; Tan, Kaiyuan; Feng, Xuan; Wu, Wenjing; Liu, Chong A siderophore-inspired two-dimensional Fe–hydroxamate metal–organic framework CrystEngComm 25(10) (2023) 1462-1466
Space group: C 1 2/c 1
Cell volume: 4774
Cell parameters: 13.635; 21.87; 17.252; 90; 111.89; 90;  

COD ID: 7246240
CIF file Formula: - C21 H23 Cl2 N O6 -
Comments: Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P. Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination CrystEngComm 25(11) (2023) 1693-1702
Space group: C 1 2 1
Cell volume: 2071.4
Cell parameters: 17.628; 5.4719; 21.601; 90; 96.194; 90;  

COD ID: 7246241
CIF file Formula: - C21 H27 Cl2 N O8 -
Comments: Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P. Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination CrystEngComm 25(11) (2023) 1693-1702
Space group: P 21 21 21
Cell volume: 2349.77
Cell parameters: 7.1781; 7.832; 41.7968; 90; 90; 90;  

COD ID: 7246242
CIF file Formula: - C66 H38 Cd3 N4 O14 -
Comments: Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J. Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2 CrystEngComm 25(12) (2023) 1775-1781
Space group: P -1
Cell volume: 2413
Cell parameters: 13.356; 13.382; 14.538; 77.483; 75.916; 76.218;  

COD ID: 7246243
CIF file Formula: - C78 H46 Cd3 N8 O12 -
Comments: Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J. Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2 CrystEngComm 25(12) (2023) 1775-1781
Space group: P -1
Cell volume: 2184.7
Cell parameters: 12.986; 13; 13.638; 78.032; 78.169; 80.196;  

COD ID: 7246244
CIF file Formula: - C312 H300 Mg24 O78 S24 -
Comments: Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium CrystEngComm 25(10) (2023) 1495-1500
Space group: I 4/m
Cell volume: 29803
Cell parameters: 26.17; 26.17; 43.516; 90; 90; 90;  

COD ID: 7246245
CIF file Formula: - C120 H48 B12 Fe6 N36 O68 Zr6 -
Comments: Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K. Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands CrystEngComm 25(10) (2023) 1550-1555
Space group: F m -3 m
Cell volume: 53092.9
Cell parameters: 37.5848; 37.5848; 37.5848; 90; 90; 90;  

COD ID: 7246246
CIF file Formula: - C20 H10 F5 N O3 -
Comments: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences CrystEngComm 25(9) (2023) 1403-1410
Space group: P -1
Cell volume: 812
Cell parameters: 7.284; 8.5719; 13.363; 93.005; 102.411; 92.991;  

COD ID: 7246247
CIF file Formula: - C11 H6 F5 N O2 -
Comments: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences CrystEngComm 25(9) (2023) 1403-1410
Space group: P 1 21/n 1
Cell volume: 1069.4
Cell parameters: 5.6381; 8.0585; 23.653; 90; 95.658; 90;  

COD ID: 7246248
CIF file Formula: - C18 H8 F5 N O3 -
Comments: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences CrystEngComm 25(9) (2023) 1403-1410
Space group: P 1 21/n 1
Cell volume: 1508.9
Cell parameters: 7.9484; 7.1832; 26.471; 90; 93.279; 90;  

COD ID: 7246249
CIF file Formula: - C12 H6 F5 N O3 -
Comments: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences CrystEngComm 25(9) (2023) 1403-1410
Space group: P 1 21/c 1
Cell volume: 1182.8
Cell parameters: 13.275; 5.3902; 16.953; 90; 102.829; 90;  

COD ID: 7246250
CIF file Formula: - C32 H18.67 F5 N2 O3 -
Comments: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences CrystEngComm 25(9) (2023) 1403-1410
Space group: P 1 21/c 1
Cell volume: 1224.4
Cell parameters: 8.615; 15.9915; 9.1239; 90; 103.072; 90;  

COD ID: 7246251
CIF file Formula: - C17 H8 F5 N O2 -
Comments: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences CrystEngComm 25(9) (2023) 1403-1410
Space group: P -1
Cell volume: 1393.1
Cell parameters: 9.0463; 11.6765; 13.7306; 98.454; 97.155; 100.557;  

COD ID: 7246252
CIF file Formula: - C18 Br4 F10 -
Comments: Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm 25(10) (2023) 1501-1506
Space group: C 1 2/c 1
Cell volume: 1968.8
Cell parameters: 13.392; 10.6012; 14.1313; 90; 101.079; 90;  

COD ID: 7246253
CIF file Formula: - C18 Br2 F12 -
Comments: Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm 25(10) (2023) 1501-1506
Space group: P -1
Cell volume: 441.29
Cell parameters: 5.4453; 7.8772; 11.0644; 71.14; 86.893; 79.296;  

COD ID: 7246254
CIF file Formula: - C18 Br4 F10 -
Comments: Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm 25(10) (2023) 1501-1506
Space group: P 1 21/n 1
Cell volume: 1972.8
Cell parameters: 7.7805; 12.9312; 19.6717; 90; 94.599; 90;  

COD ID: 7246255
CIF file Formula: - C27 H18 Br4 F10 I N3 -
Comments: Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm 25(10) (2023) 1501-1506
Space group: C 1 2/c 1
Cell volume: 3290.7
Cell parameters: 21.3852; 20.391; 7.5673; 90; 94.255; 90;  

COD ID: 7246256
CIF file Formula: - C18 Br2 F12 -
Comments: Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm 25(10) (2023) 1501-1506
Space group: P b c a
Cell volume: 3550.19
Cell parameters: 7.8665; 20.2579; 22.278; 90; 90; 90;  

COD ID: 7246257
CIF file Formula: - C27 H18 Br4 F10 I N3 -
Comments: Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors CrystEngComm 25(10) (2023) 1501-1506
Space group: P b c m
Cell volume: 6724.2
Cell parameters: 20.3907; 7.6801; 42.938; 90; 90; 90;  

COD ID: 7246258
CIF file Formula: - C45 H34 N5 O7 Zn1.5 -
Comments: Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations CrystEngComm 25(8) (2023) 1232-1239
Space group: C 1 2/c 1
Cell volume: 7939.97
Cell parameters: 16.7507; 20.1161; 23.6396; 90; 94.595; 90;  

COD ID: 7246259
CIF file Formula: - C90 H48 Cd3 N10 O12 -
Comments: Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations CrystEngComm 25(8) (2023) 1232-1239
Space group: I 1 2/a 1
Cell volume: 7731.4
Cell parameters: 26.6374; 9.7433; 29.7932; 90; 90.922; 90;  

COD ID: 7246260
CIF file Formula: - C94 H68 Cd3 N6 O12 -
Comments: Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations CrystEngComm 25(8) (2023) 1232-1239
Space group: I 1 2/a 1
Cell volume: 7823.3
Cell parameters: 27.0745; 9.7503; 29.6517; 90; 91.899; 90;  

COD ID: 7246261
CIF file Formula: - C88 H82 Cd3 N8 O15 -
Comments: Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations CrystEngComm 25(8) (2023) 1232-1239
Space group: C 1 2/c 1
Cell volume: 8045.7
Cell parameters: 38.9381; 9.4374; 29.5532; 90; 132.196; 90;  

COD ID: 7246262
CIF file Formula: - C27 H32 La N6 O10 -
Comments: Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis CrystEngComm 25(10) (2023) 1486-1494
Space group: P -1
Cell volume: 1559.16
Cell parameters: 10.7028; 11.989; 13.1876; 89.083; 72.765; 75.181;  

COD ID: 7246263
CIF file Formula: - C24 H27 La N5 O10 -
Comments: Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis CrystEngComm 25(10) (2023) 1486-1494
Space group: P -1
Cell volume: 1379.94
Cell parameters: 10.059; 11.1837; 13.6668; 68.67; 86.13; 74.59;  

COD ID: 7246264
CIF file Formula: - C30 H61 Cl3 N20 O24 -
Comments: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies CrystEngComm 25(10) (2023) 1529-1540
Space group: C 1 2/m 1
Cell volume: 5259.7
Cell parameters: 25.081; 14.4962; 14.7769; 90; 101.766; 90;  

COD ID: 7246265
CIF file Formula: - C40 H64 N20 O29 S2 -
Comments: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies CrystEngComm 25(10) (2023) 1529-1540
Space group: P 1 21/c 1
Cell volume: 5454.1
Cell parameters: 12.7096; 15.9515; 27.0718; 90; 96.41; 90;  

COD ID: 7246266
CIF file Formula: - C40 H58 N20 Na2 O25 S2 -
Comments: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies CrystEngComm 25(10) (2023) 1529-1540
Space group: P 1 21/c 1
Cell volume: 5355
Cell parameters: 12.469; 15.956; 27.061; 90; 95.919; 90;  

COD ID: 7246267
CIF file Formula: - C40 H52 N20 O24 Rb2 S2 -
Comments: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies CrystEngComm 25(10) (2023) 1529-1540
Space group: P 1 21/c 1
Cell volume: 5387
Cell parameters: 12.449; 16.143; 26.916; 90; 95.226; 90;  

COD ID: 7246268
CIF file Formula: - C40 H52 Cs K N20 O24 S2 -
Comments: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies CrystEngComm 25(10) (2023) 1529-1540
Space group: P 1 21/c 1
Cell volume: 5543
Cell parameters: 12.681; 16.214; 27.109; 90; 96.033; 90;  

COD ID: 7246269
CIF file Formula: - C40 H50 K2 N20 O23 S2 -
Comments: Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies CrystEngComm 25(10) (2023) 1529-1540
Space group: P 1 21/c 1
Cell volume: 5346
Cell parameters: 12.274; 16.173; 27.018; 90; 94.661; 90;  

COD ID: 7246270
CIF file Formula: - C19 H38 B F4 N O7 -
Comments: Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates CrystEngComm 25(9) (2023) 1333-1338
Space group: P b c a
Cell volume: 4798.7
Cell parameters: 17.287; 15.6308; 17.7593; 90; 90; 90;  

COD ID: 7246271
CIF file Formula: - C19 H38 B F4 N O7 -
Comments: Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates CrystEngComm 25(9) (2023) 1333-1338
Space group: P b c a
Cell volume: 4650.7
Cell parameters: 17.1067; 15.3661; 17.6923; 90; 90; 90;  

COD ID: 7246272
CIF file Formula: - C19 H38 Cl N O11 -
Comments: Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates CrystEngComm 25(9) (2023) 1333-1338
Space group: P n m a
Cell volume: 2433.8
Cell parameters: 15.673; 10.8757; 14.278; 90; 90; 90;  

COD ID: 7246273
CIF file Formula: - C19 H38 Cl N O11 -
Comments: Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates CrystEngComm 25(9) (2023) 1333-1338
Space group: P b c a
Cell volume: 4836.8
Cell parameters: 17.3155; 15.6324; 17.8689; 90; 90; 90;  

COD ID: 7246274
CIF file Formula: - C19 H38 Cl N O11 -
Comments: Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates CrystEngComm 25(9) (2023) 1333-1338
Space group: P b c a
Cell volume: 4734.4
Cell parameters: 17.1801; 15.4816; 17.8001; 90; 90; 90;  

COD ID: 7246275
CIF file Formula: - C19 H38 B F4 N O7 -
Comments: Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates CrystEngComm 25(9) (2023) 1333-1338
Space group: P b c a
Cell volume: 4872
Cell parameters: 17.346; 15.8138; 17.761; 90; 90; 90;  

COD ID: 7246276
CIF file Formula: - C41.5 H54 N6 O11.5 S2 -
Comments: Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J. A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate CrystEngComm 25(12) (2023) 1782-1791
Space group: P 1 21 1
Cell volume: 2201.98
Cell parameters: 5.2615; 25.2098; 16.6111; 90; 91.994; 90;  

COD ID: 7246277
CIF file Formula: - C47 H46 N4 O9 -
Comments: Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles CrystEngComm 25(8) (2023) 1295-1300
Space group: P 1 21/c 1
Cell volume: 4113.9
Cell parameters: 17.323; 12.978; 18.983; 90; 105.428; 90;  

COD ID: 7246278
CIF file Formula: - C54 H48 Cl4 N4 O8 -
Comments: Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles CrystEngComm 25(8) (2023) 1295-1300
Space group: P 1 21/c 1
Cell volume: 4658.6
Cell parameters: 15.5518; 18.9095; 16.7038; 90; 108.49; 90;  

COD ID: 7246279
CIF file Formula: - C77 H84 N4 O13 -
Comments: Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles CrystEngComm 25(8) (2023) 1295-1300
Space group: P -1
Cell volume: 3186.9
Cell parameters: 14.9566; 14.9948; 16.2793; 64.136; 79.706; 76.944;  

COD ID: 7246280
CIF file Formula: - C51.3 H50.4 Cl2 N4 O12.2 -
Comments: Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles CrystEngComm 25(8) (2023) 1295-1300
Space group: C m c m
Cell volume: 4897
Cell parameters: 25.162; 13.623; 14.286; 90; 90; 90;  

COD ID: 7246281
CIF file Formula: - C74 H88 N4 O14 -
Comments: Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles CrystEngComm 25(8) (2023) 1295-1300
Space group: P 1 21/n 1
Cell volume: 12768
Cell parameters: 28.327; 14.6276; 30.858; 90; 93.076; 90;  

COD ID: 7246282
CIF file Formula: - O6 Se2 Zr -
Comments: Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8 CrystEngComm 25(11) (2023) 1675-1682
Space group: P 1 21/c 1
Cell volume: 279.18
Cell parameters: 4.9739; 8.6018; 6.952; 90; 110.177; 90;  

COD ID: 7246283
CIF file Formula: - Hf O8 Te3 -
Comments: Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8 CrystEngComm 25(11) (2023) 1675-1682
Space group: I a -3
Cell volume: 1437.2
Cell parameters: 11.285; 11.285; 11.285; 90; 90; 90;  

COD ID: 7246284
CIF file Formula: - Hf O6 Se2 -
Comments: Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8 CrystEngComm 25(11) (2023) 1675-1682
Space group: P 1 21/c 1
Cell volume: 276.059
Cell parameters: 4.9425; 8.5794; 6.9325; 90; 110.1; 90;  

COD ID: 7246285
CIF file Formula: - C22 H31 Cd N4 O8 -
Comments: Huang, Mengyi; Liang, Zhenxin; Huang, Jinling; Zhang, Shuyu; Wen, Yuehong; Wu, Xintao Dimensional expansion of 1D zigzag chains to a 2D two-fold interpenetrated metal–organic framework for adsorption of lanthanide cations and white light emission CrystEngComm 25(11) (2023) 1637-1642
Space group: P -1
Cell volume: 1308.81
Cell parameters: 9.7448; 11.2596; 14.0846; 68.021; 84.398; 66.219;  

COD ID: 7246304
CIF file Formula: - C17 H22 Br N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 785.58
Cell parameters: 6.7843; 8.3585; 15.1607; 97.295; 93.314; 111.978;  

COD ID: 7246305
CIF file Formula: - C15 H17 I2 N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 793.61
Cell parameters: 8.7375; 9.2799; 10.6024; 106.226; 98.182; 100.729;  

COD ID: 7246306
CIF file Formula: - C15 H17 Cl I N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 757.9
Cell parameters: 7.8428; 8.7456; 11.7685; 81.274; 82.709; 72.451;  

COD ID: 7246307
CIF file Formula: - C21 H30 Br3 N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P 1 21/c 1
Cell volume: 2203.84
Cell parameters: 4.63873; 56.6665; 8.4248; 90; 95.637; 90;  

COD ID: 7246308
CIF file Formula: - C19 H26 Br N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 876.01
Cell parameters: 6.7554; 8.4116; 16.8284; 97.564; 96.503; 110.294;  

COD ID: 7246309
CIF file Formula: - C15 H17 Br I N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 1508.28
Cell parameters: 10.0323; 11.3017; 15.5236; 106.418; 94.206; 113.861;  

COD ID: 7246310
CIF file Formula: - C15 H18 Br N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 687.55
Cell parameters: 6.6716; 8.3651; 13.0803; 86.724; 86.237; 70.833;  

COD ID: 7246311
CIF file Formula: - C46 H67 Br3 N2 O2 -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P 1 21/c 1
Cell volume: 4347.2
Cell parameters: 28.1904; 9.1296; 17.0705; 90; 98.313; 90;  

COD ID: 7246312
CIF file Formula: - C23 H34 Br N O -
Comments: McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens CrystEngComm 25(11) (2023) 1683-1692
Space group: P -1
Cell volume: 1061.71
Cell parameters: 6.7504; 8.3652; 20.1363; 81.71; 86.632; 70.675;  

COD ID: 7246315
CIF file Formula: - C48 H28 N6 O14 S6 Zn3 -
Comments: Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution CrystEngComm 25(13) (2023) 1965-1975
Space group: P 1 21/c 1
Cell volume: 2355.44
Cell parameters: 4.7442; 31.8938; 15.627; 90; 95.026; 90;  

COD ID: 7246323
CIF file Formula: - C12 H8 N2 O2 -
Comments: Sendh, Jagajiban; Baruah, Jubaraj B. Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide CrystEngComm 25(13) (2023) 1928-1940
Space group: P n a 21
Cell volume: 925.5
Cell parameters: 13.296; 18.408; 3.7815; 90; 90; 90;  

COD ID: 7246324
CIF file Formula: - C12 H11 N3 O6 -
Comments: Sendh, Jagajiban; Baruah, Jubaraj B. Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide CrystEngComm 25(13) (2023) 1928-1940
Space group: P -1
Cell volume: 610.4
Cell parameters: 6.983; 8.788; 10.103; 98.26; 94.33; 93.17;  

COD ID: 7246325
CIF file Formula: - C24 H19 N5 O8 -
Comments: Sendh, Jagajiban; Baruah, Jubaraj B. Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide CrystEngComm 25(13) (2023) 1928-1940
Space group: P 1 21 1
Cell volume: 1092.48
Cell parameters: 7.4117; 14.0189; 10.6336; 90; 98.59; 90;  

COD ID: 7246326
CIF file Formula: - C12 H8 N2 O2 -
Comments: Sendh, Jagajiban; Baruah, Jubaraj B. Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide CrystEngComm 25(13) (2023) 1928-1940
Space group: P -1
Cell volume: 922.15
Cell parameters: 7.307; 9.3649; 14.6557; 81.676; 80.506; 69.46;  

COD ID: 7246327
CIF file Formula: - C3.43 H2.29 Cu0.07 N0.71 O -
Comments: Sendh, Jagajiban; Baruah, Jubaraj B. Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide CrystEngComm 25(13) (2023) 1928-1940
Space group: P -1
Cell volume: 1127.38
Cell parameters: 7.5784; 11.6201; 13.5062; 77.55; 84.286; 76.406;  

COD ID: 7246328
CIF file Formula: - C60 H40 Cd N12 O16 -
Comments: Sendh, Jagajiban; Baruah, Jubaraj B. Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide CrystEngComm 25(13) (2023) 1928-1940
Space group: P -1
Cell volume: 2640.2
Cell parameters: 13.2629; 14.3481; 16.6357; 96.631; 104.242; 116.913;  

COD ID: 7246329
CIF file Formula: - C12 H16 O7 -
Comments: Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun Mechanistic study of the formation of arbutin polymorphs and solvates CrystEngComm 25(14) (2023) 2075-2084
Space group: P 1 21 1
Cell volume: 2565.7
Cell parameters: 21.5133; 4.9621; 24.1452; 90; 95.496; 90;  

COD ID: 7246330
CIF file Formula: - C28 H41 N O15 -
Comments: Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun Mechanistic study of the formation of arbutin polymorphs and solvates CrystEngComm 25(14) (2023) 2075-2084
Space group: P 21 21 21
Cell volume: 3027.4
Cell parameters: 6.3532; 21.0244; 22.6649; 90; 90; 90;  

COD ID: 7246331
CIF file Formula: - C18 H30 N2 O9 -
Comments: Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun Mechanistic study of the formation of arbutin polymorphs and solvates CrystEngComm 25(14) (2023) 2075-2084
Space group: P 1 21 1
Cell volume: 1073.45
Cell parameters: 8.5631; 8.5283; 15.1997; 90; 104.747; 90;  

COD ID: 7246332
CIF file Formula: - C29 H41 N O15 -
Comments: Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun Mechanistic study of the formation of arbutin polymorphs and solvates CrystEngComm 25(14) (2023) 2075-2084
Space group: P 21 21 21
Cell volume: 3060.2
Cell parameters: 6.3606; 20.5593; 23.4018; 90; 90; 90;  

COD ID: 7246333
CIF file Formula: - C126 H210 N2 O36 Ti10 -
Comments: Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry CrystEngComm 25(11) (2023) 1617-1625
Space group: P -1
Cell volume: 4118.2
Cell parameters: 15.7345; 16.732; 17.2068; 83.659; 66.309; 89.939;  

COD ID: 7246334
CIF file Formula: - C84 H126 N2 O36 Ti10 -
Comments: Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry CrystEngComm 25(11) (2023) 1617-1625
Space group: P -1
Cell volume: 3046.9
Cell parameters: 15.2841; 15.8379; 16.1254; 119.36; 99.503; 106.205;  

COD ID: 7246335
CIF file Formula: - C84 H126 N2 O42 Ti10 -
Comments: Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry CrystEngComm 25(11) (2023) 1617-1625
Space group: P -1
Cell volume: 3147.6
Cell parameters: 15.0565; 15.5845; 16.1779; 64.8; 66.955; 75.967;  

COD ID: 7246336
CIF file Formula: - C84 H112 N14 O60 Ti10 -
Comments: Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry CrystEngComm 25(11) (2023) 1617-1625
Space group: P -1
Cell volume: 3541
Cell parameters: 13.1367; 16.9074; 17.9372; 107.392; 107.891; 95.423;  


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