Crystallography Open Database

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Searching journal of publication like 'New Journal of Chemistry' volume of publication is 46

COD ID: 1567140
CIF file Formula: - C12 H12 N4 Ni O4 S -
Comments: González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry 46(31) (2022) 14786-14792
Space group: C 1 c 1
Cell volume: 1355.29
Cell parameters: 28.3729; 6.5464; 7.3531; 90; 97.1; 90;  

COD ID: 1567141
CIF file Formula: - C12 H16 N4 Ni O4 S -
Comments: González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry 46(31) (2022) 14786-14792
Space group: I 1 2/a 1
Cell volume: 1489.3
Cell parameters: 23.012; 6.0848; 10.6386; 90; 91.194; 90;  

COD ID: 1567142
CIF file Formula: - C6 H8 N2 Ni O4 S -
Comments: González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry 46(31) (2022) 14786-14792
Space group: C m c m
Cell volume: 777.09
Cell parameters: 6.476; 7.2221; 16.615; 90; 90; 90;  

COD ID: 1567719
CIF file Formula: - C14 H11 N O S -
Comments: Dhara, Samiran; Saha, Moumita; Das, Asish R. Ligand-free access to benzisothiazolones and benzisoselenazolones through NiFe <sub>2</sub> O <sub>4</sub> catalyzed concomitant annulation of 2-halobenzanilides with chalcogens and their late-stage transformations New Journal of Chemistry 46(40) (2022) 19501-19513
Space group: P 1 21/c 1
Cell volume: 1194.62
Cell parameters: 9.6609; 6.3361; 19.6298; 90; 96.172; 90;  

COD ID: 7061065
CIF file Formula: - C29 H27 N O4 -
Comments: Hazarika, Hemanta; Chutia, Kangkana; Das, Babulal; Gogoi, Pranjal One-pot synthesis of 3-substituted-3-hydroxyindolin-2-ones: three component coupling of N-protected isatin, aryne precursor and 1,3-cyclodione under metal-free conditions New Journal of Chemistry 46(1) (2022) 86-96
Space group: P 1 21/n 1
Cell volume: 2399.8
Cell parameters: 13.578; 11.198; 15.831; 90; 94.443; 90;  

COD ID: 7061067
CIF file Formula: - C30 H32.5 N4 O5.25 -
Comments: Shatokhin, Stanislav S.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Markova, Alina A.; Pozdnyakov, Dmitry I.; Denisov, Gleb L.; Melnikova, Elizaveta K.; Bulychev, Boris M.; Oganesyan, Eduard T. Synthesis, cytotoxicity and antioxidant activity of new 1,3-dimethyl-8-(chromon-3-yl)-xanthine derivatives containing 2,6-di-tert-butylphenol fragments New Journal of Chemistry 46(2) (2022) 621-631
Space group: P 1 21/c 1
Cell volume: 2759.3
Cell parameters: 9.7391; 25.2387; 11.2459; 90; 93.42; 90;  

COD ID: 7061068
CIF file Formula: - C114 H108 Al Cl4 N64 O53 -
Comments: Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe New Journal of Chemistry 46(1) (2022) 97-102
Space group: I 1 2/c 1
Cell volume: 17770
Cell parameters: 28.162; 22.226; 28.39; 90; 90.21; 90;  

COD ID: 7061080
CIF file Formula: - C38 H35 O6 Sn -
Comments: Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry 46(1) (2022) 148-161
Space group: P -1
Cell volume: 1625.06
Cell parameters: 11.815; 11.9686; 12.7177; 67.247; 78.484; 85.626;  

COD ID: 7061081
CIF file Formula: - C40 H40 O6 Sn -
Comments: Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry 46(1) (2022) 148-161
Space group: P -1
Cell volume: 1743.16
Cell parameters: 8.2279; 12.1695; 18.0429; 85.696; 89.597; 75.392;  

COD ID: 7061082
CIF file Formula: - C40 H40 O6 Sn -
Comments: Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry 46(1) (2022) 148-161
Space group: P -1
Cell volume: 1748.39
Cell parameters: 8.2415; 12.1785; 18.0555; 85.719; 89.598; 75.364;  

COD ID: 7061083
CIF file Formula: - C34 H28 O6 Sn -
Comments: Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry 46(1) (2022) 148-161
Space group: P 1 21/c 1
Cell volume: 2986.33
Cell parameters: 11.5018; 14.9532; 17.597; 90; 99.344; 90;  

COD ID: 7061084
CIF file Formula: - C34 H32 O8 Sn -
Comments: Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry 46(1) (2022) 148-161
Space group: P 1 21/n 1
Cell volume: 3025.21
Cell parameters: 9.466; 16.2902; 19.8338; 90; 98.453; 90;  

COD ID: 7061088
CIF file Formula: - C24 H27 Br N2 O6 -
Comments: Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry 46(2) (2022) 592-598
Space group: P -1
Cell volume: 1148.2
Cell parameters: 10.1274; 10.9703; 11.701; 105.831; 108.602; 98.017;  

COD ID: 7061089
CIF file Formula: - C34 H32 N2 O6 -
Comments: Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry 46(2) (2022) 592-598
Space group: P -1
Cell volume: 1449.2
Cell parameters: 9.569; 10.7671; 14.771; 95.207; 105.767; 94.81;  

COD ID: 7061090
CIF file Formula: - C28 H33 N2 O6 -
Comments: Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry 46(2) (2022) 592-598
Space group: P -1
Cell volume: 1320.6
Cell parameters: 8.1765; 11.7233; 14.474; 103.629; 93.336; 100.024;  

COD ID: 7061091
CIF file Formula: - C16 H18 O2 P S2 Tl -
Comments: Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations New Journal of Chemistry 46(2) (2022) 832-843
Space group: P 1 21/c 1
Cell volume: 1807.42
Cell parameters: 10.9662; 11.3253; 14.7907; 90; 100.286; 90;  

COD ID: 7061092
CIF file Formula: - C18 H22 O2 P S2 Tl -
Comments: Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations New Journal of Chemistry 46(2) (2022) 832-843
Space group: P -1
Cell volume: 982.2
Cell parameters: 8.4373; 9.6672; 12.6725; 107.092; 95.785; 90.443;  

COD ID: 7061093
CIF file Formula: - C29 H18 Br N3 S2 -
Comments: Chernick, Erin T.; Abdollahi, Maryam F.; Tabasi, Zahra A.; Junge, Marc J.; Zhao, Yuming Study of a carbazole–bromobenzothiadiazole derived fluorescent molecular rotor: crystal structure, redox activity, and solvatofluorochromic effects New Journal of Chemistry 46(2) (2022) 572-581
Space group: P -1
Cell volume: 1191.75
Cell parameters: 9.7483; 11.0899; 13.2845; 94.979; 109.185; 114.518;  

COD ID: 7061094
CIF file Formula: - C25 H31 Cl N3 P -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 21 21 21
Cell volume: 2605.4
Cell parameters: 10.1489; 12.9048; 19.8932; 90; 90; 90;  

COD ID: 7061095
CIF file Formula: - C52 H64 B2 Cl2 F8 N6 P2 Pd -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/c 1
Cell volume: 5522.8
Cell parameters: 12.9302; 18.6083; 22.9758; 90; 92.54; 90;  

COD ID: 7061096
CIF file Formula: - C53 H68 Cl4 N6 O P2 Pd -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/c 1
Cell volume: 5495.2
Cell parameters: 21.5183; 14.4903; 19.5743; 90; 115.795; 90;  

COD ID: 7061097
CIF file Formula: - C28 H36 Cl2 N3 O P Pd -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/c 1
Cell volume: 5918.2
Cell parameters: 8.573; 32.934; 21.093; 90; 96.416; 90;  

COD ID: 7061098
CIF file Formula: - C25 H30 N3 P Se -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/c 1
Cell volume: 2354.04
Cell parameters: 14.1735; 9.6026; 17.3982; 90; 96.21; 90;  

COD ID: 7061099
CIF file Formula: - C27 H36 Cl2 N3 O P Pt S -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/c 1
Cell volume: 2972.16
Cell parameters: 13.5803; 10.3485; 21.273; 90; 96.195; 90;  

COD ID: 7061100
CIF file Formula: - C25.4 H30.8 Cl2.8 N3 P Pt -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 4/n :2
Cell volume: 5332.1
Cell parameters: 25.1425; 25.1425; 8.4349; 90; 90; 90;  

COD ID: 7061101
CIF file Formula: - C25 H31 Cl N3 P Se -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P b c a
Cell volume: 5060.97
Cell parameters: 11.1802; 13.5729; 33.3512; 90; 90; 90;  

COD ID: 7061102
CIF file Formula: - C27 H34 Cl3 N4 P Pd -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P -1
Cell volume: 1479.94
Cell parameters: 9.3439; 10.3772; 16.5278; 91.699; 97.475; 110.848;  

COD ID: 7061103
CIF file Formula: - C39 H54 Cl2 N3 O2 P Pt -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/n 1
Cell volume: 4075.2
Cell parameters: 10.7829; 27.7176; 13.6704; 90; 94.11; 90;  

COD ID: 7061104
CIF file Formula: - C28 H35 Cl N3 P Pd -
Comments: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry 46(3) (2022) 1060-1071
Space group: P 1 21/c 1
Cell volume: 2798.6
Cell parameters: 8.6425; 13.5124; 24.174; 90; 97.545; 90;  

COD ID: 7061105
CIF file Formula: - C40 H48 N2 O2 -
Comments: Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry 46(3) (2022) 1339-1346
Space group: P 1 21/c 1
Cell volume: 1746.67
Cell parameters: 36.4315; 7.1569; 6.7041; 90; 92.239; 90;  

COD ID: 7061106
CIF file Formula: - C40 H48 N2 O2 -
Comments: Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry 46(3) (2022) 1339-1346
Space group: P -1
Cell volume: 1684.4
Cell parameters: 8.3073; 14.2311; 15.9393; 65.653; 85.245; 78.854;  

COD ID: 7061107
CIF file Formula: - C40 H48 N2 O2 -
Comments: Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry 46(3) (2022) 1339-1346
Space group: P -1
Cell volume: 862.48
Cell parameters: 6.9341; 6.9886; 18.4291; 94.532; 93.486; 103.581;  

COD ID: 7061108
CIF file Formula: - C17 H21 N3 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21 1
Cell volume: 798.342
Cell parameters: 9.684; 7.971; 10.899; 90; 108.39; 90;  

COD ID: 7061109
CIF file Formula: - C18 H23 N3 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/c 1
Cell volume: 1651.3
Cell parameters: 6.713; 18.2866; 13.4679; 90; 92.78; 90;  

COD ID: 7061110
CIF file Formula: - C20 H26 Cs N3 O5 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/n 1
Cell volume: 2178.59
Cell parameters: 8.1311; 18.283; 14.9298; 90; 101.015; 90;  

COD ID: 7061111
CIF file Formula: - C16 H19 N3 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/n 1
Cell volume: 1477.52
Cell parameters: 11.3849; 9.9562; 13.2945; 90; 101.34; 90;  

COD ID: 7061112
CIF file Formula: - C22 H32 Cs N3 O7 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/c 1
Cell volume: 2492.9
Cell parameters: 11.8674; 12.8807; 16.3307; 90; 92.978; 90;  

COD ID: 7061113
CIF file Formula: - C17 H20.5 N3.5 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P -1
Cell volume: 1618.34
Cell parameters: 9.9053; 11.6377; 15.0249; 86.844; 89.823; 69.381;  

COD ID: 7061114
CIF file Formula: - C13 H10 Cl Cs N2 O5 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: F d d 2
Cell volume: 6895.2
Cell parameters: 48.4669; 32.265; 4.4093; 90; 90; 90;  

COD ID: 7061115
CIF file Formula: - C22 H24 N4 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/c 1
Cell volume: 1926.64
Cell parameters: 13.0544; 13.0083; 11.711; 90; 104.353; 90;  

COD ID: 7061116
CIF file Formula: - C19 H25 N3 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/c 1
Cell volume: 1732.9
Cell parameters: 6.7988; 18.792; 13.5975; 90; 94.066; 90;  

COD ID: 7061117
CIF file Formula: - C17 H26 Cs N3 O8 S -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P -1
Cell volume: 1236.6
Cell parameters: 7.6127; 11.657; 15.4167; 101.296; 103.003; 105.412;  

COD ID: 7061118
CIF file Formula: - C16 H19 N3 O3 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/n 1
Cell volume: 1507.52
Cell parameters: 9.4773; 7.8846; 20.2726; 90; 95.646; 90;  

COD ID: 7061119
CIF file Formula: - C16 H19 N3 O2 S -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21 1
Cell volume: 796.22
Cell parameters: 9.6424; 8.0087; 10.9078; 90; 109.047; 90;  

COD ID: 7061120
CIF file Formula: - C26 H29 Cs N6 O2 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P -1
Cell volume: 1378.2
Cell parameters: 9.5466; 11.0591; 14.5749; 72.225; 80.49; 70.549;  

COD ID: 7061121
CIF file Formula: - C20 H29 N3 O6 -
Comments: Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B. Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures New Journal of Chemistry 46(3) (2022) 1080-1086
Space group: P 1 21/c 1
Cell volume: 2033.5
Cell parameters: 12.097; 14.929; 11.827; 90; 107.816; 90;  

COD ID: 7061122
CIF file Formula: - C42 H62 B F2 N5 O6 -
Comments: Polishchuk, Vladyslav; Kulinich, Andrii; Suikov, Sergey; Rusanov, Eduard; Shandura, Mykola ‘Hybrid’ mero-anionic polymethines with a 1,3,2-dioxaborine core New Journal of Chemistry 46(3) (2022) 1273-1285
Space group: P -1
Cell volume: 2117.2
Cell parameters: 12.5711; 13.4042; 14.1491; 92.556; 105.136; 111.373;  

COD ID: 7061123
CIF file Formula: - C78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4 -
Comments: Meng, Wei; Sun, Lin; Long, Yuhao; Wang, Qianping; Zhou, Lian; Zhang, Jun A novel luminescent phosphor of a metal–organic framework with orange-red emission New Journal of Chemistry 46(3) (2022) 933-935
Space group: P -1
Cell volume: 3799.3
Cell parameters: 12.662; 13.459; 24.432; 90.626; 96.747; 112.981;  

COD ID: 7061124
CIF file Formula: - C20 H20 Cl2 Co N4 O2 -
Comments: Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold New Journal of Chemistry 46(2) (2022) 521-532
Space group: C 1 2/c 1
Cell volume: 2312.7
Cell parameters: 18.645; 13.0336; 11.1471; 90; 121.377; 90;  

COD ID: 7061125
CIF file Formula: - C26 H22 Cl2 Co N10 -
Comments: Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold New Journal of Chemistry 46(2) (2022) 521-532
Space group: P n a 21
Cell volume: 2580.14
Cell parameters: 18.2363; 7.2361; 19.5525; 90; 90; 90;  

COD ID: 7061126
CIF file Formula: - C22 H14 Cl2 In N7 -
Comments: Han, Xu; Tong, Jialin; Ding, Guanyu; Sun, Chunyi; Wang, Xinlong; Su, Zhongmin; Sun, Jing; Wen, Li-Li; Shan, Guo-Gang A low-dimensional N-rich coordination polymer as an effective fluorescence sensor for 2,4,6-trinitrophenol detection in an aqueous medium New Journal of Chemistry 46(4) (2022) 1551-1556
Space group: P 1 21/n 1
Cell volume: 2070
Cell parameters: 9.1353; 19.683; 11.535; 90; 93.588; 90;  

COD ID: 7061127
CIF file Formula: - C14 H30 I2 N2 -
Comments: Deng, Chun-Lin; Cheng, Ming; Zavalij, Peter Y.; Isaacs, Lyle Thermodynamics of pillararene·guest complexation: blinded dataset for the SAMPL9 challenge New Journal of Chemistry 46(3) (2022) 995-1002
Space group: P 1 21/c 1
Cell volume: 929.05
Cell parameters: 6.5208; 14.5116; 10.1283; 90; 104.218; 90;  

COD ID: 7061128
CIF file Formula: - C17 H25 N5 S -
Comments: Selivanova, Galina; Skolyapova, Alexandrina; Wang, Jiaying; Karpova, Elena; Shundrina, Inna; Bagryanskaya, Irina; Amosov, Evgeny Azo dyes containing 1,3,4-thiadiazole fragment: synthesis and properties New Journal of Chemistry 46(4) (2022) 1929-1942
Space group: P -1
Cell volume: 1800
Cell parameters: 9.7724; 14.4058; 14.7097; 60.822; 88.336; 84.707;  

COD ID: 7061129
CIF file Formula: - C17 H23 N5 O S -
Comments: Selivanova, Galina; Skolyapova, Alexandrina; Wang, Jiaying; Karpova, Elena; Shundrina, Inna; Bagryanskaya, Irina; Amosov, Evgeny Azo dyes containing 1,3,4-thiadiazole fragment: synthesis and properties New Journal of Chemistry 46(4) (2022) 1929-1942
Space group: P 1 21/c 1
Cell volume: 1797.4
Cell parameters: 5.2794; 20.596; 16.72; 90; 98.645; 90;  

COD ID: 7061130
CIF file Formula: - C30 H30 N4 -
Comments: Filatova, Ekaterina A.; Tsybulin, Semyon V.; Rybin, Dmitry A.; Ozeryanskii, Valery A.; Gulevskaya, Anna V.; Pozharskii, Alexander F.; Borodkin, Gennady S. A new family of 1,4-diaryl-1,3-butadiynes based on the “proton sponge”: synthesis, electronic and chemical properties New Journal of Chemistry 46(4) (2022) 1829-1838
Space group: P b c a
Cell volume: 4698.37
Cell parameters: 15.949; 15.4462; 19.0718; 90; 90; 90;  

COD ID: 7061131
CIF file Formula: - C90 H126 I4 N10 O18 Zn6 -
Comments: Karmakar, Mainak; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik Large interaction energy for the homodimer and the heterodimer extracted from the supramolecular chain of a bent trinuclear zinc(ii) complex with a reduced Schiff base ligand New Journal of Chemistry 46(4) (2022) 1845-1856
Space group: P -1
Cell volume: 5274.4
Cell parameters: 14.847; 16.3744; 23.08; 101.055; 98.993; 101.935;  

COD ID: 7061132
CIF file Formula: - C34 H30 N2 O3 -
Comments: Boruah, Dhruba Jyoti; Kathirvelan, Devarajan; Borra, Satheesh; Maurya, Ram Awatar; Yuvaraj, Panneerselvam Design, synthesis via a one-pot approach and molecular docking studies of novel pyrrolo[2,1-a]isoquinoline derivatives New Journal of Chemistry 46(2) (2022) 792-797
Space group: P 1 21/c 1
Cell volume: 2682.18
Cell parameters: 9.5632; 17.8067; 16.1958; 90; 103.463; 90;  

COD ID: 7061133
CIF file Formula: - O21 Sr U5.5 -
Comments: Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Nguyen, Thanh Ha; Zheng, Rongkun Synthesis and characterization of a uranium oxide hydrate framework with Sr(ii) ions: structural insights and mixed uranium valences New Journal of Chemistry 46(3) (2022) 1371-1380
Space group: C 1 2/c 1
Cell volume: 3441.6
Cell parameters: 13.289; 10.17; 26.139; 90; 103.04; 90;  

COD ID: 7061134
CIF file Formula: - C100 H124 Mo6 O19 P6 S8 -
Comments: Novikova, Evgeniya D.; Gassan, Alena D.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Shestopalov, Michael A. Neutral Mo6Q8-clusters with terminal phosphane ligands – a route to water-soluble molecular units of Chevrel phases New Journal of Chemistry 46(5) (2022) 2218-2223
Space group: P -1
Cell volume: 3010.5
Cell parameters: 14.2549; 15.2377; 17.0827; 98.206; 108.992; 114.838;  

COD ID: 7061135
CIF file Formula: - C100 H124 Mo6 O19 P6 Se8 -
Comments: Novikova, Evgeniya D.; Gassan, Alena D.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Shestopalov, Michael A. Neutral Mo6Q8-clusters with terminal phosphane ligands – a route to water-soluble molecular units of Chevrel phases New Journal of Chemistry 46(5) (2022) 2218-2223
Space group: P -1
Cell volume: 3048.4
Cell parameters: 14.3781; 15.2185; 17.2172; 97.527; 109.711; 114.89;  

COD ID: 7061136
CIF file Formula: - C31 H20 Cl N2 O7 Re -
Comments: Zhou, Qian-hua; Pan, Ming-yue; He, Qi; Tang, Qian; Chow, Cheuk-fai; Gong, Cheng-bin Electrochromic behavior of fac-tricarbonyl rhenium complexes New Journal of Chemistry 46(3) (2022) 1072-1079
Space group: P 1 21/m 1
Cell volume: 3080
Cell parameters: 9.5221; 20.0965; 16.7407; 90; 105.965; 90;  

COD ID: 7061137
CIF file Formula: - C12 H28 Cl4 Cu N2 O2 -
Comments: Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties New Journal of Chemistry 46(3) (2022) 1054-1059
Space group: P 1 21/c 1
Cell volume: 1947.33
Cell parameters: 17.551; 7.4842; 16.2478; 90; 114.157; 90;  

COD ID: 7061138
CIF file Formula: - C12 H28 Cl4 Mn N2 O2 -
Comments: Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties New Journal of Chemistry 46(3) (2022) 1054-1059
Space group: P -1
Cell volume: 1023.9
Cell parameters: 8.2737; 10.4938; 12.0521; 89.602; 79.517; 84.377;  

COD ID: 7061139
CIF file Formula: - C12 H28 Cl4 Co N2 O2 -
Comments: Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties New Journal of Chemistry 46(3) (2022) 1054-1059
Space group: P -1
Cell volume: 1009.35
Cell parameters: 8.2361; 10.4179; 12.0049; 89.486; 79.688; 84.884;  

COD ID: 7061140
CIF file Formula: - C20 H28 N2 O6 S -
Comments: Fang, Bin; Zhang, Beilin; Zhai, Rongxiu; Wang, Limin; Ding, Yang; Li, Huizi; Bai, Hua; Wang, Zhenhua; Peng, Bo; Li, Lin; Fu, Li Two-photon fluorescence imaging of mitochondrial viscosity with water-soluble pyridinium inner salts New Journal of Chemistry 46(5) (2022) 2487-2494
Space group: P 1 21/c 1
Cell volume: 2053
Cell parameters: 17.617; 13.441; 8.825; 90; 100.752; 90;  

COD ID: 7061141
CIF file Formula: - C56 H88 Cl2 N4 O4 Si2 Tb2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P b c a
Cell volume: 6033.4
Cell parameters: 17.3121; 15.9196; 21.8917; 90; 90; 90;  

COD ID: 7061142
CIF file Formula: - C68 H112 Cl2 N4 O4 Si2 Y2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P b c a
Cell volume: 7109.2
Cell parameters: 18.5551; 17.539; 21.8449; 90; 90; 90;  

COD ID: 7061143
CIF file Formula: - C38 H64 Cl N2 O3 Si Y -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P -1
Cell volume: 1966
Cell parameters: 10.178; 12.127; 16.974; 97.009; 96.301; 106.915;  

COD ID: 7061144
CIF file Formula: - C56 H88 Cl2 N4 O4 Si2 Y2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P b c a
Cell volume: 5998.8
Cell parameters: 17.2844; 15.8628; 21.879; 90; 90; 90;  

COD ID: 7061145
CIF file Formula: - C68 H112 Cl2 N4 O4 Si2 Tb2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P b c a
Cell volume: 7153.9
Cell parameters: 18.589; 17.5439; 21.9363; 90; 90; 90;  

COD ID: 7061146
CIF file Formula: - C56 H88 Cl2 Gd2 N4 O4 Si2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P b c a
Cell volume: 6074.6
Cell parameters: 17.3771; 15.9355; 21.937; 90; 90; 90;  

COD ID: 7061147
CIF file Formula: - C68 H112 Cl2 N4 O4 Si2 Sm2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P b c a
Cell volume: 7196.8
Cell parameters: 18.671; 17.547; 21.967; 90; 90; 90;  

COD ID: 7061148
CIF file Formula: - C88 H152 Cl4 Li2 N4 O9 Si2 Y2 -
Comments: Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes) New Journal of Chemistry 46(5) (2022) 2351-2359
Space group: P 1 21/n 1
Cell volume: 4987.8
Cell parameters: 12.6828; 18.077; 21.843; 90; 95.133; 90;  

COD ID: 7061149
CIF file Formula: - C10 H12 N2 O2 -
Comments: Kubota, Yasuhiro; Koide, Kenta; Mizuno, Yuka; Nakazawa, Masato; Inuzuka, Toshiyasu; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki Synthesis and fluorescence properties of unsymmetrical 1,4-dihydropyrrolo[3,2-b]pyrrole dyes New Journal of Chemistry 46(4) (2022) 1533-1542
Space group: P 1 21/c 1
Cell volume: 939.621
Cell parameters: 6.1321; 9.9927; 15.3343; 90; 90.225; 90;  

COD ID: 7061150
CIF file Formula: - C20 H25 N3 O2 -
Comments: Kubota, Yasuhiro; Koide, Kenta; Mizuno, Yuka; Nakazawa, Masato; Inuzuka, Toshiyasu; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki Synthesis and fluorescence properties of unsymmetrical 1,4-dihydropyrrolo[3,2-b]pyrrole dyes New Journal of Chemistry 46(4) (2022) 1533-1542
Space group: P -1
Cell volume: 1830.2
Cell parameters: 10.6244; 12.3177; 14.0897; 90.747; 96.017; 93.379;  

COD ID: 7061151
CIF file Formula: - C14 H8 Br2 N2 O2 -
Comments: Zhang, Qi; Zhao, Cheng; Zhang, Xun; He, Chunlin; Pang, Siping Oxidation of o-dioxime by (diacetoxyiodo)benzene: green and mild access to furoxans New Journal of Chemistry 46(4) (2022) 1489-1493
Space group: P -1
Cell volume: 686.4
Cell parameters: 7.9284; 8.2719; 12.334; 85.421; 71.683; 63.651;  

COD ID: 7061152
CIF file Formula: - C5 H7 N3 O4 -
Comments: Zhang, Qi; Zhao, Cheng; Zhang, Xun; He, Chunlin; Pang, Siping Oxidation of o-dioxime by (diacetoxyiodo)benzene: green and mild access to furoxans New Journal of Chemistry 46(4) (2022) 1489-1493
Space group: P -1
Cell volume: 371.87
Cell parameters: 4.8238; 7.3029; 11.0533; 76.643; 78.988; 87.455;  

COD ID: 7061153
CIF file Formula: - C39 H50 N3 Na O2 -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P 1 21/n 1
Cell volume: 3719.7
Cell parameters: 12.6032; 15.0919; 20.395; 90; 106.488; 90;  

COD ID: 7061154
CIF file Formula: - C47 H66 Cl2 N3 O4 Y -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P -1
Cell volume: 2350.2
Cell parameters: 11.362; 13.161; 17.005; 93.03; 95.98; 110.98;  

COD ID: 7061155
CIF file Formula: - C78 H100 K2 N6 O4 -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P 1 21/c 1
Cell volume: 7453.9
Cell parameters: 32.8979; 11.7923; 19.9051; 90; 105.143; 90;  

COD ID: 7061156
CIF file Formula: - C47 H66 Cl2 Er N3 O4 -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P -1
Cell volume: 2350.6
Cell parameters: 11.3647; 13.16; 17.0082; 93.144; 95.993; 110.972;  

COD ID: 7061157
CIF file Formula: - C31 H35 N3 -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P -1
Cell volume: 1354.9
Cell parameters: 9.2544; 9.5728; 15.8225; 99.744; 97.59; 96.858;  

COD ID: 7061158
CIF file Formula: - C47 H66 Cl2 N3 O4 Yb -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P -1
Cell volume: 2372
Cell parameters: 11.4; 13.189; 17.09; 93.34; 95.9; 111.1;  

COD ID: 7061159
CIF file Formula: - C39 H56 N3 Si2 Yb -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P -1
Cell volume: 4146
Cell parameters: 11.4008; 18.4999; 20.1152; 93.461; 98.18; 97.869;  

COD ID: 7061160
CIF file Formula: - C39 H56 Er N3 Si2 -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: P -1
Cell volume: 4150.4
Cell parameters: 11.4267; 18.5276; 20.0773; 93.515; 98.153; 98.18;  

COD ID: 7061161
CIF file Formula: - C42 H63 N3 Si2 Y -
Comments: Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand New Journal of Chemistry 46(5) (2022) 2465-2471
Space group: C 1 2/c 1
Cell volume: 9001
Cell parameters: 13.872; 17.623; 36.834; 90; 91.546; 90;  

COD ID: 7061162
CIF file Formula: - C34 H36 O14 -
Comments: Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Hoshiyama, To-sho; Imamura, Akari; Yoneyama, Tatsuro; Umeyama, Akemi; Noji, Masaaki; Tsunoda, Tetsuto; Kaku, Hiroto Strong acid-promoted skeletal remodeling of the aphid pigment: red uroleuconaphin to green viridaphin New Journal of Chemistry 46(6) (2022) 2600-2604
Space group: P 21 21 21
Cell volume: 3078.9
Cell parameters: 10.2753; 15.0618; 19.894; 90; 90; 90;  

COD ID: 7061163
CIF file Formula: - C15 H18 Li N O -
Comments: Rufanov, Konstantin A.; Titov, Ilya Yu.; Lemenovskii, Dmitry A.; Krut’ko, Dmitry P.; Churakov, Andrei V. Novel approach for the synthesis of chiral organometallic complexes – first series of lithium 2-amino-indenide ligands bearing pendant donor groups and a unique helical bent-zirconocene New Journal of Chemistry 46(3) (2022) 1409-1415
Space group: P 21 21 21
Cell volume: 1287.65
Cell parameters: 7.6958; 8.1833; 20.4464; 90; 90; 90;  

COD ID: 7061164
CIF file Formula: - C35 H24 O -
Comments: Jana, Kanyashree; Moorthy, Jarugu Narasimha Homoconjugation in triptycenes: an inquiry through photochromism New Journal of Chemistry 46(3) (2022) 1416-1422
Space group: P 1 21/c 1
Cell volume: 2400.4
Cell parameters: 8.858; 14.662; 18.902; 90; 102.093; 90;  

COD ID: 7061165
CIF file Formula: - B18 H56 O80 V12 -
Comments: Liu, Xinxin; Zhang, Le; Zhao, SiSi; Guo, Biao; Zhao, Zhen Water assisted high proton conductance in a pure-inorganic framework vanadoborate New Journal of Chemistry 46(3) (2022) 974-980
Space group: C 1 2/c 1
Cell volume: 6924
Cell parameters: 18.968; 18.443; 19.815; 90; 92.77; 90;  

COD ID: 7061166
CIF file Formula: - C25 H18 Br2 N2 O2 -
Comments: Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents New Journal of Chemistry 46(3) (2022) 1295-1307
Space group: P n a 21
Cell volume: 2129.8
Cell parameters: 16.854; 22.397; 5.6423; 90; 90; 90;  

COD ID: 7061167
CIF file Formula: - C25 H18 F2 N2 O2 -
Comments: Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents New Journal of Chemistry 46(3) (2022) 1295-1307
Space group: P 1 21/c 1
Cell volume: 1940.5
Cell parameters: 11.269; 8.445; 20.524; 90; 96.54; 90;  

COD ID: 7061168
CIF file Formula: - C44 H36 N3 O14 P3 -
Comments: Şenkuytu, Elif; Akbaş, Nadide; Yıldırım, Tuba; Çiftçi, Gönül Yenilmez Synthesis, characterization and cytotoxic activity studies on cancer cell lines of new paraben-decorated monospiro-cyclotriphosphazenes New Journal of Chemistry 46(5) (2022) 2453-2464
Space group: P 1 21/c 1
Cell volume: 4265.3
Cell parameters: 8.6664; 22.88; 21.5111; 90; 90.321; 90;  

COD ID: 7061169
CIF file Formula: - C15 H28 N2 Ni O Si -
Comments: Cloutier, Jean-Philippe; Zamani, Fahimeh; Zargarian, Davit Aerobic oxidation-functionalization of the aryl moiety in van Koten's pincer complex (NCN)Ni(ii)Br: relevance to carbon–heteroatom coupling reactions promoted by high-valent nickel species New Journal of Chemistry 46(4) (2022) 1800-1807
Space group: C 1 c 1
Cell volume: 1768.7
Cell parameters: 12.381; 13.9962; 11.9361; 90; 121.228; 90;  

COD ID: 7061170
CIF file Formula: - C16 H19 N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: C 1 2/c 1
Cell volume: 3504
Cell parameters: 26.46; 6.552; 20.28; 90; 94.62; 90;  

COD ID: 7061171
CIF file Formula: - C16 H19 N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: C 1 2/c 1
Cell volume: 3616
Cell parameters: 26.56; 7.133; 19.18; 90; 95.72; 90;  

COD ID: 7061172
CIF file Formula: - C14 H15 N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: I 41/a :2
Cell volume: 6628
Cell parameters: 18.03; 18.03; 20.39; 90; 90; 90;  

COD ID: 7061173
CIF file Formula: - C20 H19 N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: P -1
Cell volume: 1015.2
Cell parameters: 8.796; 11.281; 11.333; 65.16; 87.05; 84.17;  

COD ID: 7061174
CIF file Formula: - C21 H21 N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: P 1 21/n 1
Cell volume: 2200
Cell parameters: 9.7258; 11.0684; 20.736; 90; 99.75; 90;  

COD ID: 7061175
CIF file Formula: - C16 H17 Cl N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: C 1 2/c 1
Cell volume: 3709
Cell parameters: 26.56; 6.708; 20.85; 90; 93.285; 90;  

COD ID: 7061176
CIF file Formula: - C14 H13 Cl N5 O4 S -
Comments: Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest New Journal of Chemistry 46(6) (2022) 2817-2828
Space group: P -1
Cell volume: 3380
Cell parameters: 12.294; 16.369; 18.699; 104.62; 105.192; 100.914;  

COD ID: 7061177
CIF file Formula: - C16 H6 F6 S -
Comments: Wu, Yaxing; Wu, Chao; Wang, Fei; Chen, Chao Cu-catalyzed [2 + 2 + 1] cascade annulation of vinyl iodonium salts with elemental sulfur/selenium for the modular synthesis of thiophenes and selenophenes New Journal of Chemistry 46(3) (2022) 945-949
Space group: P 1 21/n 1
Cell volume: 2647.9
Cell parameters: 9.4232; 19.3491; 14.9248; 90; 103.331; 90;  

COD ID: 7061178
CIF file Formula: - C10 H16 B2 Cu N16 -
Comments: Mei, Haozheng; Xu, Yiqiang; Lei, Guorong; Cao, Wenli; Li, Zhimin; Zhang, Jianguo Synthesis, structure and properties of a high-energy metal–organic framework fuel [Cu(MTZ)2(CTB)2]n New Journal of Chemistry 46(4) (2022) 1687-1692
Space group: P b c a
Cell volume: 1897.5
Cell parameters: 13.507; 8.2794; 16.968; 90; 90; 90;  

COD ID: 7061179
CIF file Formula: - C46 H29.58 N4 O16 -
Comments: Zhu, Bai-Li; Jin, Yun-Peng; Jiang, Jian; Zuo, Ming-Hui; Cui, Shu-Xin Two new photochromic supramolecular compositions based on viologen: photocontrolled fluorescence, aniline detection and inkless erasable printing performance New Journal of Chemistry 46(4) (2022) 1905-1911
Space group: P -1
Cell volume: 2003.9
Cell parameters: 9.7493; 14.816; 14.827; 81.262; 81.825; 72.098;  

COD ID: 7061180
CIF file Formula: - C46 H35 N2 O21 -
Comments: Zhu, Bai-Li; Jin, Yun-Peng; Jiang, Jian; Zuo, Ming-Hui; Cui, Shu-Xin Two new photochromic supramolecular compositions based on viologen: photocontrolled fluorescence, aniline detection and inkless erasable printing performance New Journal of Chemistry 46(4) (2022) 1905-1911
Space group: P 1 21/c 1
Cell volume: 2050.2
Cell parameters: 9.6809; 15.526; 13.6809; 90; 94.407; 90;  

COD ID: 7061181
CIF file Formula: - C52 H70 Co Ge2 Mo24 N24 O84 -
Comments: Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi) New Journal of Chemistry 46(6) (2022) 2798-2807
Space group: P 1 21/c 1
Cell volume: 5758.9
Cell parameters: 12.4694; 22.2327; 21.18; 90; 101.25; 90;  

COD ID: 7061182
CIF file Formula: - C13 H37 Mo6.17 N6 Ni2 O35 Te -
Comments: Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi) New Journal of Chemistry 46(6) (2022) 2798-2807
Space group: P -1
Cell volume: 2104.9
Cell parameters: 8.2559; 10.2674; 27.104; 90.778; 96.28; 112.573;  

COD ID: 7061183
CIF file Formula: - C26 H40 Co Mo8 N12 O31 -
Comments: Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi) New Journal of Chemistry 46(6) (2022) 2798-2807
Space group: P -1
Cell volume: 2525
Cell parameters: 12.004; 12.6182; 18.381; 73.018; 72.311; 89.947;  

COD ID: 7061184
CIF file Formula: - C26 H40 Mo8 N12 Ni O31 -
Comments: Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi) New Journal of Chemistry 46(6) (2022) 2798-2807
Space group: P -1
Cell volume: 2517.12
Cell parameters: 11.9807; 12.6328; 18.3167; 106.905; 107.578; 89.94;  

COD ID: 7061185
CIF file Formula: - C14 H14 N2 O5 -
Comments: Horsten, Tomas; Alegbejo Price, Temitayo Omowumi; Van Meervelt, Luc; Emery, Flavio da Silva; Dehaen, Wim 2-Imidazolidinone benzofurans as unexpected outcome of the Lewis acid mediated Nenitzescu reaction New Journal of Chemistry 46(5) (2022) 2028-2032
Space group: P -1
Cell volume: 660.03
Cell parameters: 8.432; 8.645; 10.0078; 66.339; 84.385; 81.355;  

COD ID: 7061186
CIF file Formula: - C22 H22 Li4 N2 O10 -
Comments: Han, Xiang; Wu, Tiantian; Gu, Lanhui; Tian, Dan A Li-based MOF-derived multifunctional PEO polymer solid-state electrolyte for lithium energy storage New Journal of Chemistry 46(8) (2022) 3747-3753
Space group: P 21 21 21
Cell volume: 2396.4
Cell parameters: 12.8204; 13.6719; 13.672; 90; 90; 90;  

COD ID: 7061187
CIF file Formula: - C30 H38 O13 -
Comments: Zhou, Le; Bai, Ming; He, Qing-Jun; Hou, Zi-Lin; Lu, Li-Wei; Wang, Jie; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang Nine new dihydro-β-agarofuran sesquiterpene polyesters from the leaves of Tripterygium wilfordii New Journal of Chemistry 46(5) (2022) 2423-2430
Space group: P 1 21 1
Cell volume: 1500.23
Cell parameters: 9.474; 14.0726; 11.5916; 90; 103.893; 90;  

COD ID: 7061188
CIF file Formula: - C96 H425 Cu16 K2 N64 Nb48 O233 V21 -
Comments: Guo, Hui-Li; Wang, Yi-Kun; Qu, Xiao-Jie; Feng, Rui; Pang, Jing-Yu; Bai, Yan; Dang, Dong-Bin Crystal structure and electrochemistry properties of one two-dimensional heteropolyoxoniobate based on four- and five-vanadium-capped Keggin anions New Journal of Chemistry 46(4) (2022) 1494-1497
Space group: I 4/m c m
Cell volume: 19094
Cell parameters: 26.3773; 26.3773; 27.4429; 90; 90; 90;  

COD ID: 7061189
CIF file Formula: - C3 H6 N8 Na2 O4 -
Comments: Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry 46(9) (2022) 4462-4469
Space group: P -1
Cell volume: 495.36
Cell parameters: 6.5949; 8.7129; 9.1609; 102.33; 90.26; 105.15;  

COD ID: 7061190
CIF file Formula: - C3 K0.5 N8 O Rb1.5 -
Comments: Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry 46(9) (2022) 4462-4469
Space group: P -1
Cell volume: 409.7
Cell parameters: 4.4887; 7.571; 12.714; 97.31; 92.74; 106.32;  

COD ID: 7061191
CIF file Formula: - C6 H20 N16 Na4 O12 -
Comments: Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry 46(9) (2022) 4462-4469
Space group: P n m a
Cell volume: 1234.2
Cell parameters: 6.8; 7.5; 24.2; 90; 90; 90;  

COD ID: 7061192
CIF file Formula: - C3 H2 K2 N8 O2 -
Comments: Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry 46(9) (2022) 4462-4469
Space group: P 1 21 1
Cell volume: 862.8
Cell parameters: 7.1376; 17.029; 7.6232; 90; 111.38; 90;  

COD ID: 7061193
CIF file Formula: - C3 H10 N8 O6 Sr -
Comments: Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry 46(9) (2022) 4462-4469
Space group: P 21 21 21
Cell volume: 1129.4
Cell parameters: 6.623; 12.839; 13.282; 90; 90; 90;  

COD ID: 7061194
CIF file Formula: - C3 H10 Mg N8 O6 -
Comments: Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition New Journal of Chemistry 46(9) (2022) 4462-4469
Space group: P b c n
Cell volume: 2229.5
Cell parameters: 11.89; 16.7; 11.228; 90; 90; 90;  

COD ID: 7061195
CIF file Formula: - C18 H14 Cd Cl2 N2 O -
Comments: Ma, Jialin; Dong, Yuwei; Yu, Zhou; Wu, Yan; Zhao, Zhen A pyridine based Schiff base as a selective and sensitive fluorescent probe for cadmium ions with “turn-on” fluorescence responses New Journal of Chemistry 46(7) (2022) 3348-3357
Space group: P -1
Cell volume: 877.17
Cell parameters: 8.0895; 8.7415; 13.3578; 108.358; 96.423; 97.449;  

COD ID: 7061196
CIF file Formula: - C38 H28 Cu I P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P -1
Cell volume: 1548.6
Cell parameters: 9.4282; 10.036; 16.8484; 95.271; 102.089; 92.733;  

COD ID: 7061197
CIF file Formula: - C40 H32 Cl Cu O2 P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P -1
Cell volume: 2059.3
Cell parameters: 13.3273; 13.4397; 14.4861; 65.047; 63.653; 68.84;  

COD ID: 7061198
CIF file Formula: - C42 H36 Cu I O4 P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P 1 21/n 1
Cell volume: 3875.26
Cell parameters: 12.3306; 16.7868; 18.7717; 90; 94.176; 90;  

COD ID: 7061199
CIF file Formula: - C40 H32 Cu I O2 P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P -1
Cell volume: 1674.7
Cell parameters: 12.132; 12.5512; 12.9308; 91.483; 108.89; 113.913;  

COD ID: 7061200
CIF file Formula: - C38 H28 Br Cu P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P -1
Cell volume: 1561.59
Cell parameters: 9.4441; 10.0937; 16.802; 94.999; 101.446; 92.007;  

COD ID: 7061201
CIF file Formula: - C40 H32 Br Cu O2 P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P -1
Cell volume: 1644.87
Cell parameters: 12.1192; 12.5675; 12.6953; 90.664; 114.373; 108.705;  

COD ID: 7061202
CIF file Formula: - C38 H28 Cl Cu P2 -
Comments: Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies New Journal of Chemistry 46(7) (2022) 3236-3247
Space group: P -1
Cell volume: 1549.47
Cell parameters: 9.4432; 10.0854; 16.6463; 94.732; 100.982; 91.613;  

COD ID: 7061203
CIF file Formula: - C13 H16 O4 S -
Comments: Kumar, Harikesh; Dubey, Atul; Prajapati, Gurudayal; Kant, Ruchir; Ampapathi, Ravi S.; Mandal, Pintu Kumar Regioselective direct sulfenylation of glycals using arylsulfonyl chlorides in the presence of triphenylphosphine: access to C2-thioaryl glycosides New Journal of Chemistry 46(7) (2022) 3426-3430
Space group: P 1 21 1
Cell volume: 1941.8
Cell parameters: 5.572; 18.599; 18.753; 90; 92.336; 90;  

COD ID: 7061204
CIF file Formula: - C66 H88 Cu3 N8 O29 -
Comments: Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72− New Journal of Chemistry 46(9) (2022) 4292-4299
Space group: I m m a
Cell volume: 10615
Cell parameters: 30.462; 28.777; 12.1091; 90; 90; 90;  

COD ID: 7061205
CIF file Formula: - C59 H65 N5 O29 Zn5 -
Comments: Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72− New Journal of Chemistry 46(9) (2022) 4292-4299
Space group: P -1
Cell volume: 1894
Cell parameters: 12.153; 12.643; 12.69; 84.243; 85.337; 78.012;  

COD ID: 7061206
CIF file Formula: - C31 H78.5 La3 N11 O42 -
Comments: Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane New Journal of Chemistry 46(8) (2022) 3707-3715
Space group: P -1
Cell volume: 6325.1
Cell parameters: 13.8336; 17.251; 27.2896; 94.969; 97.482; 99.709;  

COD ID: 7061207
CIF file Formula: - C23 H38 La2 N4 Na8 O42.5 -
Comments: Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane New Journal of Chemistry 46(8) (2022) 3707-3715
Space group: P -1
Cell volume: 2719.5
Cell parameters: 12.4288; 14.334; 16.0464; 73.795; 85.301; 82.669;  

COD ID: 7061208
CIF file Formula: - C23 H41.5 Ce2 N4 Na8 O42.5 -
Comments: Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane New Journal of Chemistry 46(8) (2022) 3707-3715
Space group: P -1
Cell volume: 2707.6
Cell parameters: 12.416; 14.31; 16.017; 73.825; 85.236; 82.697;  

COD ID: 7061209
CIF file Formula: - C31 H60.5 Ce3 K5 N6 O43.5 -
Comments: Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane New Journal of Chemistry 46(8) (2022) 3707-3715
Space group: P 1 21/n 1
Cell volume: 6428.2
Cell parameters: 18.3813; 15.2765; 23.6607; 90; 104.641; 90;  

COD ID: 7061210
CIF file Formula: - C31 H54 K5 La3 N6 O43.5 -
Comments: Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane New Journal of Chemistry 46(8) (2022) 3707-3715
Space group: P 1 21/n 1
Cell volume: 6417.2
Cell parameters: 18.3281; 15.3082; 23.6676; 90; 104.899; 90;  

COD ID: 7061211
CIF file Formula: - C15 H7 Cl F4 O -
Comments: Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu Halogen atom effect of fluorinated tolanes on their luminescence characteristics New Journal of Chemistry 46(10) (2022) 4562-4569
Space group: P -1
Cell volume: 1354.87
Cell parameters: 6.2618; 7.4426; 29.3159; 90.733; 92.011; 97.051;  

COD ID: 7061212
CIF file Formula: - C15 H7 F4 I O -
Comments: Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu Halogen atom effect of fluorinated tolanes on their luminescence characteristics New Journal of Chemistry 46(10) (2022) 4562-4569
Space group: P b c a
Cell volume: 2818.15
Cell parameters: 16.2038; 6.1025; 28.4996; 90; 90; 90;  

COD ID: 7061213
CIF file Formula: - C15 H7 Br F4 O -
Comments: Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu Halogen atom effect of fluorinated tolanes on their luminescence characteristics New Journal of Chemistry 46(10) (2022) 4562-4569
Space group: P 1 21/c 1
Cell volume: 1389.78
Cell parameters: 7.581; 28.9757; 6.4309; 90; 100.322; 90;  

COD ID: 7061214
CIF file Formula: - C29 H27 Br N2 O3 -
Comments: Zhang, Xiaofeng; Liu, Miao; Zhan, Desheng; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei Three-component [3 + 2] cycloaddition for regio- and diastereoselective synthesis of spirooxindole-pyrrolidines New Journal of Chemistry 46(8) (2022) 3866-3870
Space group: P -1
Cell volume: 1259.83
Cell parameters: 10.4594; 10.8089; 13.2837; 101.462; 112.148; 105.775;  

COD ID: 7061215
CIF file Formula: - C7 H6 N2 O S Se -
Comments: Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V. New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts New Journal of Chemistry 46(8) (2022) 3687-3696
Space group: P -1
Cell volume: 420.55
Cell parameters: 6.6599; 7.4329; 8.7949; 87.367; 75.419; 87.06;  

COD ID: 7061216
CIF file Formula: - C28 H41.33 Cl1.67 N3 O2 S4 -
Comments: Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V. New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts New Journal of Chemistry 46(8) (2022) 3687-3696
Space group: P -1
Cell volume: 1629.5
Cell parameters: 10.5054; 12.336; 14.6228; 113.319; 98.895; 103.186;  

COD ID: 7061217
CIF file Formula: - C14 H20 Cl N S2 -
Comments: Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V. New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts New Journal of Chemistry 46(8) (2022) 3687-3696
Space group: C 1 2/m 1
Cell volume: 1562.9
Cell parameters: 10.6876; 7.0309; 20.882; 90; 95.119; 90;  

COD ID: 7061218
CIF file Formula: - C6 H4 Cl N S Se -
Comments: Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V. New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts New Journal of Chemistry 46(8) (2022) 3687-3696
Space group: P 1 21/n 1
Cell volume: 768.55
Cell parameters: 7.8867; 5.5755; 17.6217; 90; 97.319; 90;  

COD ID: 7061219
CIF file Formula: - C8 H4 F N S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/c 1
Cell volume: 665.5
Cell parameters: 8.82; 5.152; 14.649; 90; 91.24; 90;  

COD ID: 7061220
CIF file Formula: - C16 F10 N2 S2 -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/n 1
Cell volume: 754.01
Cell parameters: 4.3379; 16.178; 10.9464; 90; 101.031; 90;  

COD ID: 7061221
CIF file Formula: - C16 H7 Cl3 N2 S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/c 1
Cell volume: 1496.55
Cell parameters: 7.2602; 15.8141; 13.1144; 90; 96.323; 90;  

COD ID: 7061222
CIF file Formula: - C16 H5 Cl5 N2 S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/c 1
Cell volume: 1611.2
Cell parameters: 12.0604; 18.5095; 7.598; 90; 108.203; 90;  

COD ID: 7061223
CIF file Formula: - C16 H3 F7 N2 S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/n 1
Cell volume: 1351
Cell parameters: 16.53; 3.794; 21.65; 90; 95.57; 90;  

COD ID: 7061224
CIF file Formula: - C18 H7 F7 N2 S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/c 1
Cell volume: 3276.7
Cell parameters: 8.139; 37.12; 10.902; 90; 95.83; 90;  

COD ID: 7061225
CIF file Formula: - C9 H6 Cl N S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P b c n
Cell volume: 1743.7
Cell parameters: 12.5438; 14.9504; 9.298; 90; 90; 90;  

COD ID: 7061226
CIF file Formula: - C18 H13 Cl N2 S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/c 1
Cell volume: 1530.2
Cell parameters: 7.3032; 15.9713; 13.2331; 90; 97.53; 90;  

COD ID: 7061227
CIF file Formula: - C16 H6 F4 N2 S2 -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P -1
Cell volume: 710.89
Cell parameters: 3.8831; 11.9865; 15.5339; 83.534; 83.375; 84.296;  

COD ID: 7061228
CIF file Formula: - C16 H F9 N2 S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/c 1
Cell volume: 1417.8
Cell parameters: 13.3364; 5.081; 21.565; 90; 104.017; 90;  

COD ID: 7061229
CIF file Formula: - C8 H3 Br2 N S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P b c n
Cell volume: 1794.1
Cell parameters: 12.4146; 14.9366; 9.6752; 90; 90; 90;  

COD ID: 7061230
CIF file Formula: - C9 H3 F4 N S -
Comments: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C. Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes New Journal of Chemistry 46(8) (2022) 3602-3615
Space group: P 1 21/n 1
Cell volume: 876.2
Cell parameters: 7.76; 9.903; 11.438; 90; 94.58; 90;  

COD ID: 7061231
CIF file Formula: - C40 H40 N8 O4 Pd2 S2 -
Comments: Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P. Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)] New Journal of Chemistry 46(6) (2022) 2722-2729
Space group: P b c n
Cell volume: 4016.05
Cell parameters: 23.4333; 11.7042; 14.6428; 90; 90; 90;  

COD ID: 7061232
CIF file Formula: - C42 H42 N6 O4 Pd2 S2 -
Comments: Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P. Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)] New Journal of Chemistry 46(6) (2022) 2722-2729
Space group: P b c n
Cell volume: 4133.7
Cell parameters: 23.367; 11.818; 14.969; 90; 90; 90;  

COD ID: 7061233
CIF file Formula: - C10 H8 Hg N2 S2 -
Comments: Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P. Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)] New Journal of Chemistry 46(6) (2022) 2722-2729
Space group: C 1 2 1
Cell volume: 554.24
Cell parameters: 15.0093; 4.0809; 11.0604; 90; 125.104; 90;  

COD ID: 7061234
CIF file Formula: - C16 H17 Cl N4 Pd S -
Comments: Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P. Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)] New Journal of Chemistry 46(6) (2022) 2722-2729
Space group: P 21 21 21
Cell volume: 1686.71
Cell parameters: 7.3138; 11.8378; 19.4817; 90; 90; 90;  

COD ID: 7061235
CIF file Formula: - C83 H82 N12 O2 Pd3 S4 -
Comments: Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P. Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)] New Journal of Chemistry 46(6) (2022) 2722-2729
Space group: P -1
Cell volume: 1974.6
Cell parameters: 11.166; 13.242; 14.462; 74; 74.57; 81.37;  

COD ID: 7061236
CIF file Formula: - Ba4 Bi3 Na O12 -
Comments: Hossain, Khandaker Monower; Saiduzzaman, Md; Kumada, Nobuhiro; Takei, Takahiro; Yamane, Hisanori Hydrothermal synthesis and crystal structure of a novel double-perovskite-type bismuth oxide with 3 : 1 ordering at the B-site New Journal of Chemistry 46(8) (2022) 3595-3601
Space group: P -1
Cell volume: 623.4
Cell parameters: 8.5415; 8.5421; 8.5441; 89.996; 89.995; 90.016;  

COD ID: 7061237
CIF file Formula: - C45 H43 Au2 Cl4 N9 P2 Zn -
Comments: Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands New Journal of Chemistry 46(9) (2022) 4062-4071
Space group: P -1
Cell volume: 2414.47
Cell parameters: 11.5397; 14.4235; 15.6048; 70.951; 79.619; 87.626;  

COD ID: 7061238
CIF file Formula: - C23 H21 Au Cl N4 P -
Comments: Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands New Journal of Chemistry 46(9) (2022) 4062-4071
Space group: P -1
Cell volume: 2252.05
Cell parameters: 10.6195; 12.3785; 18.7756; 108.768; 103.715; 92.291;  

COD ID: 7061239
CIF file Formula: - C50 H40 Cl2 N4 O2 P2 Ru S -
Comments: Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O. Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones New Journal of Chemistry 46(7) (2022) 3146-3155
Space group: P 1 21/n 1
Cell volume: 4463.2
Cell parameters: 12.1017; 13.8083; 27.2988; 90; 101.929; 90;  

COD ID: 7061240
CIF file Formula: - C16 H10 Cl2 N5 O3 Ru S -
Comments: Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O. Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones New Journal of Chemistry 46(7) (2022) 3146-3155
Space group: P 1 21/n 1
Cell volume: 1898.8
Cell parameters: 8.7777; 10.4016; 20.9559; 90; 97.071; 90;  

COD ID: 7061241
CIF file Formula: - C49 H37 Cl N4 O2 P2 Ru S -
Comments: Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O. Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones New Journal of Chemistry 46(7) (2022) 3146-3155
Space group: P 1 21/c 1
Cell volume: 9686
Cell parameters: 21.3269; 12.2526; 37.414; 90; 97.809; 90;  

COD ID: 7061242
CIF file Formula: - C17 H11 F5 O2 -
Comments: Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry 46(7) (2022) 3392-3400
Space group: P 1 21/c 1
Cell volume: 1546.3
Cell parameters: 8.9965; 7.9831; 21.596; 90; 94.474; 90;  

COD ID: 7061243
CIF file Formula: - C23 H15 F5 O2 -
Comments: Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry 46(7) (2022) 3392-3400
Space group: P -1
Cell volume: 971.12
Cell parameters: 8.9679; 9.2898; 11.8018; 88.321; 83.008; 84.421;  

COD ID: 7061244
CIF file Formula: - C18 H13 F5 O2 -
Comments: Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry 46(7) (2022) 3392-3400
Space group: P -1
Cell volume: 833.57
Cell parameters: 7.5715; 10.6727; 11.9855; 65.696; 71.888; 76.943;  

COD ID: 7061245
CIF file Formula: - C19 H11 F4 N O2 -
Comments: Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics New Journal of Chemistry 46(7) (2022) 3392-3400
Space group: P 1 21/n 1
Cell volume: 1582.28
Cell parameters: 6.1206; 22.0913; 11.8054; 90; 97.582; 90;  

COD ID: 7061246
CIF file Formula: - C21 H19 N O4 S -
Comments: Rodríguez, M. R.; Espino, G. A.; Piro, O. E.; Echeverría, G. A.; Parajón-Costa, B. S.; González-Baró, A. C. The crystal structure and characterization of a co-product in the synthesis of a Schiff base give evidence of its zwitterionic nature in the solid state New Journal of Chemistry 46(7) (2022) 3130-3139
Space group: P -1
Cell volume: 898.1
Cell parameters: 9.274; 9.9087; 11.313; 99.48; 102.576; 112.887;  

COD ID: 7061247
CIF file Formula: - C35 H25 Cl2 I N2 O -
Comments: Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones New Journal of Chemistry 46(6) (2022) 2952-2961
Space group: P -1
Cell volume: 1507.8
Cell parameters: 11.086; 11.54; 12.936; 113.666; 91.973; 94.252;  

COD ID: 7061248
CIF file Formula: - C43.5 H34 Br Cl N2 O -
Comments: Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones New Journal of Chemistry 46(6) (2022) 2952-2961
Space group: P 1 21/n 1
Cell volume: 3749.3
Cell parameters: 13.7423; 18.5947; 15.441; 90; 108.153; 90;  

COD ID: 7061249
CIF file Formula: - C40 H34 N4 O P2 Pd S -
Comments: Goudarzi, Atousa; Ghassemzadeh, Mitra; Saeidifar, Maryam; Aghapoor, Kioumars; Mohsenzadeh, Farshid; Neumüller, Bernhard In vitro cytotoxicity and antibacterial activity of [Pd(AMTTO)(PPh3)2]: a novel promising palladium(ii) complex New Journal of Chemistry 46(6) (2022) 3026-3034
Space group: P 1 21/c 1
Cell volume: 3613.2
Cell parameters: 10.087; 19.325; 18.562; 90; 93.06; 90;  

COD ID: 7061250
CIF file Formula: - C18 H21 In N6 Se3 -
Comments: Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Wadawale, A. P.; Kedarnath, G.; Kumar, N. Naveen; Bahadur, Jitendra Synthesis of photo-responsive indium selenides (InSe and In2Se3) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(iii) as a molecular precursor New Journal of Chemistry 46(8) (2022) 3871-3881
Space group: P b c a
Cell volume: 4927.71
Cell parameters: 14.9248; 14.988; 22.0289; 90; 90; 90;  

COD ID: 7061251
CIF file Formula: - C19 H11 Cl F N O S -
Comments: Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles New Journal of Chemistry 46(9) (2022) 4134-4141
Space group: P 1 21/n 1
Cell volume: 1618.4
Cell parameters: 11.9876; 10.8264; 13.1607; 90; 108.645; 90;  

COD ID: 7061252
CIF file Formula: - C24 H16 Cl F N2 O -
Comments: Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles New Journal of Chemistry 46(9) (2022) 4134-4141
Space group: C 1 2/c 1
Cell volume: 3735
Cell parameters: 27.2572; 10.8688; 13.4118; 90; 109.945; 90;  

COD ID: 7061253
CIF file Formula: - C19 H12 Cl N O S -
Comments: Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L. Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles New Journal of Chemistry 46(9) (2022) 4134-4141
Space group: P -1
Cell volume: 761.88
Cell parameters: 7.3208; 9.0728; 12.5495; 73.212; 81.338; 73.194;  

COD ID: 7061254
CIF file Formula: - C38 H60 N6 O4 Ru -
Comments: Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry 46(8) (2022) 3978-3984
Space group: R -3 :H
Cell volume: 9236
Cell parameters: 25.887; 25.887; 15.915; 90; 90; 120;  

COD ID: 7061255
CIF file Formula: - C103 H116 F18 Fe2 N6 O P7 Ru -
Comments: Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry 46(8) (2022) 3978-3984
Space group: P 1 21/n 1
Cell volume: 11222
Cell parameters: 13.0216; 32.214; 27.028; 90; 98.184; 90;  

COD ID: 7061256
CIF file Formula: - C104 H118 Cl8 F12 Fe2 N6 P6 Ru -
Comments: Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry 46(8) (2022) 3978-3984
Space group: P 1 21/c 1
Cell volume: 11017
Cell parameters: 13.838; 30.951; 25.87; 90; 96.1; 90;  

COD ID: 7061257
CIF file Formula: - C117 H140 F24 Fe2 N10 O3 P8 Ru -
Comments: Wang, Yong Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III] New Journal of Chemistry 46(8) (2022) 3978-3984
Space group: P b c a
Cell volume: 26488
Cell parameters: 28.53; 26.984; 34.406; 90; 90; 90;  

COD ID: 7061258
CIF file Formula: - C22 H27 N O3 S -
Comments: Xing, Siyang; Wang, Chenyu; Gao, Tingxuan; Wang, Yuhan; Wang, Hongzheng; Wang, Hanfei; Wang, Kui; Zhu, Bolin Construction of 4-spiroannulated tetrahydroisoquinoline skeletons via a sequential ring opening of aziridines and Pictet–Spengler reaction New Journal of Chemistry 46(5) (2022) 2553-2558
Space group: C 1 2/c 1
Cell volume: 3957.93
Cell parameters: 17.5164; 10.53615; 23.073; 90; 111.647; 90;  

COD ID: 7061259
CIF file Formula: - C24 H24 N2 O3 S -
Comments: Xing, Siyang; Wang, Chenyu; Gao, Tingxuan; Wang, Yuhan; Wang, Hongzheng; Wang, Hanfei; Wang, Kui; Zhu, Bolin Construction of 4-spiroannulated tetrahydroisoquinoline skeletons via a sequential ring opening of aziridines and Pictet–Spengler reaction New Journal of Chemistry 46(5) (2022) 2553-2558
Space group: P 1 21/c 1
Cell volume: 2074.08
Cell parameters: 11.8021; 14.8362; 11.906; 90; 95.792; 90;  

COD ID: 7061260
CIF file Formula: - C18 H18 N2 Ni O3 -
Comments: Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties New Journal of Chemistry 46(9) (2022) 4363-4372
Space group: P 1 21/c 1
Cell volume: 1593.8
Cell parameters: 7.7952; 18.669; 10.9834; 90; 94.348; 90;  

COD ID: 7061261
CIF file Formula: - C42 H56 N4 Ni4 O14 -
Comments: Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties New Journal of Chemistry 46(9) (2022) 4363-4372
Space group: P 1 21/c 1
Cell volume: 2641.41
Cell parameters: 14.9223; 9.1624; 19.522; 90; 98.265; 90;  

COD ID: 7061262
CIF file Formula: - C56.4 H58.81 N10 Ni6 O16 -
Comments: Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties New Journal of Chemistry 46(9) (2022) 4363-4372
Space group: P 1 21/c 1
Cell volume: 7529.7
Cell parameters: 28.199; 15.467; 17.513; 90; 99.674; 90;  

COD ID: 7061263
CIF file Formula: - C26 H28 N2 O2 S -
Comments: Miranda-Olvera, Montserrat; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; del Pilar Carreón-Castro, María Design and synthesis of benzothiadiazole-based molecular systems: self-assembly, optical and electronic properties New Journal of Chemistry 46(11) (2022) 4992-5001
Space group: P n c a
Cell volume: 6690.9
Cell parameters: 7.7834; 76.7442; 11.2014; 90; 90; 90;  

COD ID: 7061264
CIF file Formula: - C32 H20 B F2 N5 O4 -
Comments: Zarcone, Samuel R.; Yarbrough, Hana J.; Neal, Martin J.; Kelly, Jordan C.; Kaczynski, Katie L.; Bloomfield, Aaron J.; Bowers, Geoffrey M.; Montgomery, Thomas D.; Chase, Daniel T. Synthesis and photophysical properties of nitrated aza-BODIPYs New Journal of Chemistry 46(9) (2022) 4483-4496
Space group: P 1 21/c 1
Cell volume: 2749
Cell parameters: 12.209; 13.821; 17.299; 90; 109.65; 90;  

COD ID: 7061265
CIF file Formula: - C20 H26 Fe N2 O -
Comments: Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation New Journal of Chemistry 46(8) (2022) 3948-3960
Space group: P 21 21 21
Cell volume: 1832.63
Cell parameters: 7.543; 8.7848; 27.6566; 90; 90; 90;  

COD ID: 7061266
CIF file Formula: - C28 H36 Fe N2 O3 -
Comments: Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation New Journal of Chemistry 46(8) (2022) 3948-3960
Space group: P 21 21 21
Cell volume: 2650.1
Cell parameters: 10.2197; 10.3087; 25.1548; 90; 90; 90;  

COD ID: 7061267
CIF file Formula: - Cu H6 O7 S -
Comments: Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry 46(12) (2022) 5479-5488
Space group: C 1 c 1
Cell volume: 529.73
Cell parameters: 5.5708; 12.9751; 7.3754; 90; 96.45; 90;  

COD ID: 7061268
CIF file Formula: - Cu H2 O5 S -
Comments: Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry 46(12) (2022) 5479-5488
Space group: P -1
Cell volume: 174.41
Cell parameters: 5.0281; 5.1502; 7.5607; 108.592; 108.382; 91.359;  

COD ID: 7061269
CIF file Formula: - Cu O4 S -
Comments: Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry 46(12) (2022) 5479-5488
Space group: P n m a
Cell volume: 270.56
Cell parameters: 8.3958; 6.676; 4.827; 90; 90; 90;  

COD ID: 7061270
CIF file Formula: - Cu H10 O9 S -
Comments: Ibrahim, Mukaila A.; Boeré, René T. The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors New Journal of Chemistry 46(12) (2022) 5479-5488
Space group: P -1
Cell volume: 358.85
Cell parameters: 5.9676; 6.0957; 10.6366; 77.224; 82.387; 72.434;  

COD ID: 7061271
CIF file Formula: - C21 H21 Cl2 Fe N5 O5.5 -
Comments: Sun, Xia-Xing; Du, Juan; Tan, Jie-Jie; Zhan, Shu-Zhong A mono-oxo-bridged binuclear iron(iii) complex with a Fe–O–Fe angle of 180.0° and its catalytic activity for hydrogen evolution New Journal of Chemistry 46(8) (2022) 3794-3799
Space group: P -1
Cell volume: 1170.29
Cell parameters: 9.6244; 10.9915; 12.4372; 70.037; 71.256; 81.851;  

COD ID: 7061272
CIF file Formula: - C28 H22 N4 S2 -
Comments: Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur New Journal of Chemistry 46(10) (2022) 4784-4791
Space group: P 21 21 21
Cell volume: 4777
Cell parameters: 12.8; 13.044; 28.611; 90; 90; 90;  

COD ID: 7061273
CIF file Formula: - C26 H18 N4 S -
Comments: Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur New Journal of Chemistry 46(10) (2022) 4784-4791
Space group: P 1 21/n 1
Cell volume: 2031.9
Cell parameters: 11.9878; 13.8358; 12.521; 90; 101.924; 90;  

COD ID: 7061274
CIF file Formula: - C71 H87 Co3 N9 O23 -
Comments: Zhou, Tao; Qian, Jianlei; Lu, Xin; Xu, Heng; Chen, Lei; Zhang, Chuanlei Metal–organic framework based on flexible ligands and CoII–CoII–CoII system: selective gas adsorption and magnetic properties New Journal of Chemistry 46(9) (2022) 4307-4313
Space group: C 1 2/c 1
Cell volume: 7427
Cell parameters: 26.608; 10.5511; 29.4; 90; 115.862; 90;  

COD ID: 7061275
CIF file Formula: - C14 H28 Al N5 O16 S2 -
Comments: Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations New Journal of Chemistry 46(11) (2022) 5002-5011
Space group: P -1
Cell volume: 1301.6
Cell parameters: 9.6791; 10.859; 13.678; 98.38; 110.301; 98.772;  

COD ID: 7061276
CIF file Formula: - C28 H30 Fe N10 O18 S4 -
Comments: Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations New Journal of Chemistry 46(11) (2022) 5002-5011
Space group: C 1 2/m 1
Cell volume: 2466.8
Cell parameters: 26.4924; 6.791; 14.9191; 90; 113.212; 90;  

COD ID: 7061277
CIF file Formula: - C32 H44 Cu3 N14 O18 S4 -
Comments: Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations New Journal of Chemistry 46(11) (2022) 5002-5011
Space group: P -1
Cell volume: 2340.4
Cell parameters: 6.8652; 17.5151; 20.2578; 74.458; 89.112; 85.783;  

COD ID: 7061278
CIF file Formula: - C20 H30 Cd2 N4 O15 -
Comments: Zhang, Hongbi; Liu, Xueguang; Shao, Yongliang; Liu, Wei; Liu, Weisheng Study on the synthesis and host–guest luminescence properties of a novel Cd(ii)-picolinate coordination polymer New Journal of Chemistry 46(9) (2022) 4257-4261
Space group: P b c n
Cell volume: 2807.13
Cell parameters: 12.0648; 17.3104; 13.4411; 90; 90; 90;  

COD ID: 7061279
CIF file Formula: - C20 H23 P Se -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P -1
Cell volume: 1748.93
Cell parameters: 7.587; 13.5053; 17.4716; 96.951; 94.373; 98.603;  

COD ID: 7061280
CIF file Formula: - C22 H27 O2 P Se -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P 1 21/c 1
Cell volume: 2010.78
Cell parameters: 7.4669; 17.7087; 15.2071; 90; 90.347; 90;  

COD ID: 7061281
CIF file Formula: - C51 H64 Cl O7 P2 Rh -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P -1
Cell volume: 2366.91
Cell parameters: 12.133; 12.3022; 16.7869; 81.197; 87.715; 72.921;  

COD ID: 7061282
CIF file Formula: - C48 H58 Cl6 O6 P2 Rh2 -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P 1 21/c 1
Cell volume: 4993.84
Cell parameters: 14.8441; 16.2144; 21.0762; 90; 100.122; 90;  

COD ID: 7061283
CIF file Formula: - C20 H27 P Se -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P 1 21/c 1
Cell volume: 3790.97
Cell parameters: 15.8601; 17.0706; 14.009; 90; 91.786; 90;  

COD ID: 7061284
CIF file Formula: - C43 H50 Cl5 O P2 Rh -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P b c a
Cell volume: 8375.81
Cell parameters: 17.9319; 17.9552; 26.0142; 90; 90; 90;  

COD ID: 7061285
CIF file Formula: - C26 H35 O2 P Se -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P n a 21
Cell volume: 2412.04
Cell parameters: 17.57166; 14.50525; 9.46339; 90; 90; 90;  

COD ID: 7061286
CIF file Formula: - C24 H31 P Se -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: C 1 2/c 1
Cell volume: 4286.09
Cell parameters: 18.17426; 26.26593; 8.98086; 90; 91.2638; 90;  

COD ID: 7061287
CIF file Formula: - C22 H25 O3 P Se -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P 1 21/n 1
Cell volume: 2107.29
Cell parameters: 9.6787; 13.3868; 16.7162; 90; 103.355; 90;  

COD ID: 7061288
CIF file Formula: - C53 H70 Cl O5 P2 Rh -
Comments: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher Exploring steric and electronic parameters of biaryl phosphacycles New Journal of Chemistry 46(10) (2022) 4677-4686
Space group: P -1
Cell volume: 2475.77
Cell parameters: 12.087; 14.5363; 15.7989; 63.576; 86.782; 84.952;  

COD ID: 7061289
CIF file Formula: - C59 H41 K N4 O12 Zn2 -
Comments: Jin, J. C.; Liu, X. Y.; Yang, G. P.; Hou, L.; Wang, Y. Y. A microporous anionic metal–organic framework for aqueous encapsulation and highly reversible sensitization of light-emitting Tb3+ ions New Journal of Chemistry 46(11) (2022) 5201-5205
Space group: C 1 2/c 1
Cell volume: 7421
Cell parameters: 13.347; 22.155; 25.424; 90; 99.205; 90;  

COD ID: 7061290
CIF file Formula: - C28 H34 N8 O11 Zn2 -
Comments: Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K. Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies New Journal of Chemistry 46(11) (2022) 5296-5311
Space group: C 1 2/c 1
Cell volume: 3339.95
Cell parameters: 18.0928; 12.8348; 15.5435; 90; 112.282; 90;  

COD ID: 7061291
CIF file Formula: - C16 H14 Mn N4 O6 -
Comments: Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K. Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies New Journal of Chemistry 46(11) (2022) 5296-5311
Space group: P -1
Cell volume: 900.72
Cell parameters: 8.1469; 9.2011; 12.4602; 91.826; 94.303; 104.442;  

COD ID: 7061292
CIF file Formula: - C102 H85 N11 O20 S4 Zn6 -
Comments: Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiang-Jun Acetonitrile-induced structure fine-tuning of a trinuclear zinc complex showing multistimuli responsive luminescence New Journal of Chemistry 46(10) (2022) 4800-4805
Space group: C 1 2/c 1
Cell volume: 9719
Cell parameters: 41.3959; 10.3962; 26.5419; 90; 121.695; 90;  

COD ID: 7061293
CIF file Formula: - C48 H38 N4 O10 S2 Zn3 -
Comments: Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiang-Jun Acetonitrile-induced structure fine-tuning of a trinuclear zinc complex showing multistimuli responsive luminescence New Journal of Chemistry 46(10) (2022) 4800-4805
Space group: P 1 2/c 1
Cell volume: 2269.04
Cell parameters: 8.8054; 9.7676; 26.3853; 90; 90.928; 90;  

COD ID: 7061294
CIF file Formula: - C13 H12 N2 O -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1112.98
Cell parameters: 12.5535; 12.2303; 7.2491; 90; 90; 90;  

COD ID: 7061295
CIF file Formula: - C13 H12 N2 O -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1129.14
Cell parameters: 12.5855; 12.2723; 7.3106; 90; 90; 90;  

COD ID: 7061296
CIF file Formula: - C12.89 H11.67 N2 O0.88 -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1136.72
Cell parameters: 12.447; 12.3034; 7.4227; 90; 90; 90;  

COD ID: 7061297
CIF file Formula: - C12.87 H11.61 N2 O0.88 -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1125.11
Cell parameters: 12.4276; 12.2735; 7.3763; 90; 90; 90;  

COD ID: 7061298
CIF file Formula: - C13 H12 N2 O -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1120.5
Cell parameters: 12.5682; 12.2501; 7.2778; 90; 90; 90;  

COD ID: 7061299
CIF file Formula: - C13 H12 N2 O -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1149.32
Cell parameters: 12.61; 12.3302; 7.3919; 90; 90; 90;  

COD ID: 7061300
CIF file Formula: - C12.86 H11.57 N2 O0.87 -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1115.11
Cell parameters: 12.4062; 12.2515; 7.3365; 90; 90; 90;  

COD ID: 7061301
CIF file Formula: - C12.9 H11.7 N2 O0.88 -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1147.26
Cell parameters: 12.4634; 12.3362; 7.4618; 90; 90; 90;  

COD ID: 7061302
CIF file Formula: - C13 H12 N2 O -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1157.85
Cell parameters: 12.6139; 12.3565; 7.4286; 90; 90; 90;  

COD ID: 7061303
CIF file Formula: - C12.84 H11.53 N2 O0.87 -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1097.69
Cell parameters: 12.3562; 12.219; 7.2704; 90; 90; 90;  

COD ID: 7061304
CIF file Formula: - C12.85 H11.53 N2 O0.87 -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1105.9
Cell parameters: 12.3815; 12.2324; 7.3018; 90; 90; 90;  

COD ID: 7061305
CIF file Formula: - C13 H12 N2 O -
Comments: Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M. Crystalline azobenzene composites as photochemical phase-change materials New Journal of Chemistry 46(9) (2022) 4057-4061
Space group: P n a 21
Cell volume: 1139.34
Cell parameters: 12.6025; 12.2998; 7.3502; 90; 90; 90;  

COD ID: 7061306
CIF file Formula: - C26 H18 Co N4 O3 -
Comments: Raj, Manaswini; Padhi, Sumanta Kumar Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte New Journal of Chemistry 46(13) (2022) 6027-6038
Space group: P 31 2 1
Cell volume: 3208.5
Cell parameters: 13.3668; 13.3668; 20.7353; 90; 90; 120;  

COD ID: 7061307
CIF file Formula: - C54 H49.5 Co2 N8 O10.75 -
Comments: Raj, Manaswini; Padhi, Sumanta Kumar Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte New Journal of Chemistry 46(13) (2022) 6027-6038
Space group: P 1 21/n 1
Cell volume: 5150
Cell parameters: 12.963; 15.6404; 25.9135; 90; 101.41; 90;  

COD ID: 7061308
CIF file Formula: - C24 H24 O4 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: P 1 21/c 1
Cell volume: 1944.3
Cell parameters: 14.3203; 11.9892; 11.4344; 90; 97.938; 90;  

COD ID: 7061309
CIF file Formula: - C31 H30 O5 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: P -1
Cell volume: 1231.08
Cell parameters: 8.0204; 9.7166; 16.0604; 83.198; 89.949; 82.176;  

COD ID: 7061310
CIF file Formula: - C16 H14 O2 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: P b c a
Cell volume: 2336.99
Cell parameters: 7.7629; 17.002; 17.7065; 90; 90; 90;  

COD ID: 7061311
CIF file Formula: - C25 H26 O5 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: P -1
Cell volume: 1073.67
Cell parameters: 9.1365; 10.0584; 13.1688; 101.064; 106.529; 104.988;  

COD ID: 7061312
CIF file Formula: - C17 H16 O4 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: C 1 2/c 1
Cell volume: 2668.7
Cell parameters: 17.361; 10.1907; 15.3314; 90; 100.301; 90;  

COD ID: 7061313
CIF file Formula: - C25 H24 Br O6 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: P -1
Cell volume: 1143.89
Cell parameters: 9.1036; 9.9813; 14.0392; 101.354; 107.907; 101.361;  

COD ID: 7061314
CIF file Formula: - C16 H12 O4 -
Comments: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S. Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides New Journal of Chemistry 46(12) (2022) 5460-5463
Space group: C 1 2/c 1
Cell volume: 4883.1
Cell parameters: 20.0353; 7.8785; 31.1858; 90; 97.267; 90;  

COD ID: 7061315
CIF file Formula: - C21 H15 Cl4 Cu N O3 -
Comments: Kumar, Sunil; Choudhary, Mukesh Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease New Journal of Chemistry 46(10) (2022) 4911-4926
Space group: I 41
Cell volume: 4382
Cell parameters: 15.311; 15.311; 18.692; 90; 90; 90;  

COD ID: 7061316
CIF file Formula: - C40 H24 Br2 Cl2 Cu N2 O4 -
Comments: Kumar, Sunil; Choudhary, Mukesh Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease New Journal of Chemistry 46(10) (2022) 4911-4926
Space group: P -1
Cell volume: 1740.5
Cell parameters: 11.182; 12.5407; 12.5464; 93.388; 96.567; 93.588;  

COD ID: 7061317
CIF file Formula: - C38 H26 N6 O2 -
Comments: Yadav, Priyanka; Verma, Abhineet; Sharma, Vishal Prasad; Singh, Rashmi; Yadav, Tarun; Kumar, Ranjeet; Pal, Shiv; Gupta, Hariom; Saha, Satyen; Tewari, Ashish K. The development of a robust folded scaffold as a fluorescent material using butylidine-linked pyridazinone-based systems via aromatic π⋯π stacking interactions New Journal of Chemistry 46(12) (2022) 5830-5838
Space group: P -1
Cell volume: 1558.5
Cell parameters: 11.6727; 11.7539; 13.2143; 78.388; 66.796; 69.702;  

COD ID: 7061318
CIF file Formula: - C36 H26 N6 O2 -
Comments: Yadav, Priyanka; Verma, Abhineet; Sharma, Vishal Prasad; Singh, Rashmi; Yadav, Tarun; Kumar, Ranjeet; Pal, Shiv; Gupta, Hariom; Saha, Satyen; Tewari, Ashish K. The development of a robust folded scaffold as a fluorescent material using butylidine-linked pyridazinone-based systems via aromatic π⋯π stacking interactions New Journal of Chemistry 46(12) (2022) 5830-5838
Space group: P 1 21/n 1
Cell volume: 2854.2
Cell parameters: 10.312; 13.852; 19.986; 90; 91.231; 90;  

COD ID: 7061319
CIF file Formula: - C34 H54 Cl F18 Fe2 N8 O4 P3 -
Comments: do Nascimento, Juliana S.; de Sousa, Aurideia P.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Teixeira, Edson H.; do Nascimento Neto, Luiz Gonzaga; Bezerra, Beatriz Pinheiro; Ayala, Alejandro Pedro; Batista, Alzir A.; Vasconcelos, Igor F.; Oliveira, Francisco G. S.; Holanda, Alda K. M. A binuclear Fe(iii)/quinizarin complex as a structural model for anthracycline drugs binding to iron New Journal of Chemistry 46(12) (2022) 5515-5525
Space group: P 1 21/c 1
Cell volume: 4721.4
Cell parameters: 16.0603; 16.6212; 17.6984; 90; 92.069; 90;  

COD ID: 7061320
CIF file Formula: - C12 H20 O3 -
Comments: Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Robles, Norma Lis; Lezama, José O. G.; Sankaran, Sankaran Venkatachalam; Thamotharan, Subbiah; Villecco, Margarita B.; Loandos, María del H.; Gil, Diego M. Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives New Journal of Chemistry 46(12) (2022) 5690-5704
Space group: P -1
Cell volume: 604.06
Cell parameters: 5.9803; 7.9085; 13.5905; 88.056; 87.341; 70.216;  

COD ID: 7061321
CIF file Formula: - C14 H22 O5 -
Comments: Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Robles, Norma Lis; Lezama, José O. G.; Sankaran, Sankaran Venkatachalam; Thamotharan, Subbiah; Villecco, Margarita B.; Loandos, María del H.; Gil, Diego M. Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives New Journal of Chemistry 46(12) (2022) 5690-5704
Space group: P 1 21/n 1
Cell volume: 1474.33
Cell parameters: 7.6744; 19.7633; 10.3173; 90; 109.582; 90;  

COD ID: 7061322
CIF file Formula: - C12 H10 N2 O4 S -
Comments: Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry 46(13) (2022) 6060-6067
Space group: P -1
Cell volume: 582.19
Cell parameters: 5.4648; 10.4074; 10.6121; 82.244; 81.501; 78.883;  

COD ID: 7061323
CIF file Formula: - C8 H9 Fe N O6 -
Comments: Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry 46(13) (2022) 6060-6067
Space group: P -1
Cell volume: 461.1
Cell parameters: 7.394; 8.345; 8.843; 62.78; 71.92; 80.61;  

COD ID: 7061324
CIF file Formula: - C12 H8 Mn N2 O4 S -
Comments: Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J. Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity New Journal of Chemistry 46(13) (2022) 6060-6067
Space group: P 1 21/c 1
Cell volume: 1347.1
Cell parameters: 8.761; 10.3491; 14.86; 90; 91.067; 90;  

COD ID: 7061325
CIF file Formula: - C81 H105 N7 O30 Zn4 -
Comments: Wu, Ya-Meng; Zhao, Pei-Chen; Jia, Bin; Li, Zhe; Yuan, Shuai; Li, Cheng-Hui A silver-functionalized metal–organic framework with effective antibacterial activity New Journal of Chemistry 46(13) (2022) 5922-5926
Space group: C 1 2/m 1
Cell volume: 9819
Cell parameters: 22.248; 25.89; 17.197; 90; 97.589; 90;  

COD ID: 7061326
CIF file Formula: - C43 H32 Cu I N2 P2 -
Comments: Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions New Journal of Chemistry 46(13) (2022) 6185-6192
Space group: P 21 21 21
Cell volume: 3727
Cell parameters: 10.656; 17.374; 20.131; 90; 90; 90;  

COD ID: 7061327
CIF file Formula: - C43 H32 Br Cu N2 P2 -
Comments: Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions New Journal of Chemistry 46(13) (2022) 6185-6192
Space group: P 21 21 21
Cell volume: 3642.6
Cell parameters: 10.6373; 17.157; 19.959; 90; 90; 90;  

COD ID: 7061328
CIF file Formula: - C44.5 H34.25 Cl Cu N2.75 P2 -
Comments: Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions New Journal of Chemistry 46(13) (2022) 6185-6192
Space group: P 1 21/c 1
Cell volume: 3638
Cell parameters: 18.975; 11.948; 17.49; 90; 113.44; 90;  

COD ID: 7061329
CIF file Formula: - C31 H27 N O3 -
Comments: Thombal, Raju S.; Aslam, Mohammad; Mohandoss, Sonaimuthu; Lee, Yong Rok Rhodium-catalyzed cascade C–H activation/annulation/1,6-acyl migration: direct construction of free N–H indoles under mild conditions New Journal of Chemistry 46(13) (2022) 6126-6133
Space group: P -1
Cell volume: 1348.12
Cell parameters: 10.3312; 11.7235; 11.9422; 99.9553; 105.458; 97.7123;  

COD ID: 7061330
CIF file Formula: - C16 H36 As2 N4 Pb -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P n m a
Cell volume: 2263.9
Cell parameters: 18.684; 11.9988; 10.0984; 90; 90; 90;  

COD ID: 7061331
CIF file Formula: - C23 H21 Cu N3 O5 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/n 1
Cell volume: 1005.99
Cell parameters: 10.271; 7.6001; 13.5989; 90; 108.617; 90;  

COD ID: 7061332
CIF file Formula: - C24 H26 Cu N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/n 1
Cell volume: 1115.22
Cell parameters: 9.8103; 5.9728; 19.254; 90; 98.697; 90;  

COD ID: 7061333
CIF file Formula: - C32 H45 Cu N5 O7 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 1636.01
Cell parameters: 11.3901; 12.802; 13.0487; 66.301; 70.763; 87.575;  

COD ID: 7061334
CIF file Formula: - C28 H34 Cu N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 667.34
Cell parameters: 6.063; 10.1393; 10.9316; 87.176; 84.072; 88.091;  

COD ID: 7061335
CIF file Formula: - C20 H12 Cu N2 O4 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/c 1
Cell volume: 802.2
Cell parameters: 4.8617; 13.5497; 12.2556; 90; 96.467; 90;  

COD ID: 7061336
CIF file Formula: - C26 H28 Cu2 N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: I 1 2/a 1
Cell volume: 2606.2
Cell parameters: 9.6201; 23.1763; 11.8397; 90; 99.147; 90;  

COD ID: 7061337
CIF file Formula: - C36 H56 Cu N6 O8 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 945.89
Cell parameters: 8.1133; 10.3368; 12.0359; 81.03; 83.371; 72.014;  

COD ID: 7061338
CIF file Formula: - C23 H21 Cu N3 O5 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 1047.28
Cell parameters: 8.8642; 10.1622; 13.7176; 106.14; 93.452; 115.573;  

COD ID: 7061339
CIF file Formula: - C26 H32 Cu2 N4 O8 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 1375.77
Cell parameters: 10.0507; 11.552; 12.1515; 82.366; 83.857; 81;  

COD ID: 7061340
CIF file Formula: - C23 H21 Cu N3 O5 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/n 1
Cell volume: 1005.33
Cell parameters: 10.3764; 7.5417; 13.4913; 90; 107.782; 90;  

COD ID: 7061341
CIF file Formula: - C29 H39 Cu N5 O7 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1
Cell volume: 1495.73
Cell parameters: 11.0057; 11.4891; 12.6324; 81.107; 79.836; 73.162;  

COD ID: 7061342
CIF file Formula: - C23 H21 Cu N3 O5 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: I 1 2/a 1
Cell volume: 2022.22
Cell parameters: 13.8822; 8.3669; 18.7238; 90; 111.589; 90;  

COD ID: 7061343
CIF file Formula: - C28 H32 Cu2 N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/c 1
Cell volume: 1327.01
Cell parameters: 7.312; 20.7381; 8.8408; 90; 98.162; 90;  

COD ID: 7061344
CIF file Formula: - C23 H21 Cu N3 O5 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: C 1 2/c 1
Cell volume: 2029.6
Cell parameters: 19.2147; 7.9105; 14.0321; 90; 107.901; 90;  

COD ID: 7061345
CIF file Formula: - C28 H34 Cu N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 663.21
Cell parameters: 5.841; 9.7548; 11.6529; 92.222; 91.154; 91.002;  

COD ID: 7061346
CIF file Formula: - C26 H30 Cu N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 622.28
Cell parameters: 5.6066; 10.4353; 11.283; 104.885; 95.48; 99.643;  

COD ID: 7061347
CIF file Formula: - C29 H39 Cu N5 O7 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 1510.65
Cell parameters: 9.3197; 12.5306; 14.6852; 106.796; 94.775; 110.018;  

COD ID: 7061348
CIF file Formula: - C32 H45 Cu N5 O7 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 6676.3
Cell parameters: 14.1491; 21.7604; 23.6679; 110.376; 100.665; 91.832;  

COD ID: 7061349
CIF file Formula: - C29 H39 Cu N5 O7 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 1463.8
Cell parameters: 7.4853; 14.1745; 14.3105; 88.622; 76.298; 82.897;  

COD ID: 7061350
CIF file Formula: - C34 H54 Cu2 N6 O10 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/c 1
Cell volume: 1916.57
Cell parameters: 12.0521; 12.0235; 14.0783; 90; 110.038; 90;  

COD ID: 7061351
CIF file Formula: - C30 H44 Cu2 N4 O10 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/n 1
Cell volume: 1626.42
Cell parameters: 10.9996; 12.072; 12.87; 90; 107.881; 90;  

COD ID: 7061352
CIF file Formula: - C26 H28 Cu2 N4 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P -1
Cell volume: 1244.96
Cell parameters: 9.5521; 10.162; 14.8273; 72.689; 75.638; 66.35;  

COD ID: 7061353
CIF file Formula: - C30 H34 Cu2 N6 O6 -
Comments: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols New Journal of Chemistry 46(15) (2022) 6899-6920
Space group: P 1 21/n 1
Cell volume: 1502.56
Cell parameters: 10.238; 12.0196; 12.4708; 90; 101.731; 90;  

COD ID: 7061354
CIF file Formula: - C6 H6 Br N O2 -
Comments: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S. Synthesis of bacteriochlorins bearing diverse β-substituents New Journal of Chemistry 46(12) (2022) 5534-5555
Space group: C 1 2/c 1
Cell volume: 1392.9
Cell parameters: 11.0877; 11.2881; 11.6866; 90; 107.768; 90;  

COD ID: 7061355
CIF file Formula: - C17 H26 N2 O7 -
Comments: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S. Synthesis of bacteriochlorins bearing diverse β-substituents New Journal of Chemistry 46(12) (2022) 5534-5555
Space group: P 1 21/n 1
Cell volume: 1867.6
Cell parameters: 11.741; 11.4272; 14.676; 90; 108.466; 90;  

COD ID: 7061356
CIF file Formula: - C15 H20 N2 O2 -
Comments: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S. Synthesis of bacteriochlorins bearing diverse β-substituents New Journal of Chemistry 46(12) (2022) 5534-5555
Space group: P 1 21/n 1
Cell volume: 2923.4
Cell parameters: 11.191; 11.9815; 21.8035; 90; 90.517; 90;  

COD ID: 7061357
CIF file Formula: - C38 H53 B N2 Si2 -
Comments: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S. Synthesis of bacteriochlorins bearing diverse β-substituents New Journal of Chemistry 46(12) (2022) 5534-5555
Space group: P -1
Cell volume: 1836.6
Cell parameters: 7.75; 15.783; 16.094; 106.502; 96.507; 99.23;  

COD ID: 7061358
CIF file Formula: - C40 H34 N4 -
Comments: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S. Synthesis of bacteriochlorins bearing diverse β-substituents New Journal of Chemistry 46(12) (2022) 5534-5555
Space group: P 1 21/n 1
Cell volume: 1548.49
Cell parameters: 9.8399; 14.8436; 10.9447; 90; 104.381; 90;  

COD ID: 7061359
CIF file Formula: - C24 H24 Br2 N4 -
Comments: Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S. Synthesis of bacteriochlorins bearing diverse β-substituents New Journal of Chemistry 46(12) (2022) 5534-5555
Space group: R -3 :H
Cell volume: 5008.1
Cell parameters: 20.0268; 20.0268; 14.4186; 90; 90; 120;  

COD ID: 7061360
CIF file Formula: - C43 H45 Cl N6 O10 Zn -
Comments: Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K. Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies New Journal of Chemistry 46(12) (2022) 5638-5652
Space group: P b c a
Cell volume: 8393.1
Cell parameters: 21.1405; 17.9407; 22.1292; 90; 90; 90;  

COD ID: 7061361
CIF file Formula: - C45 H33 Cl N4 O6 Zn -
Comments: Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K. Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies New Journal of Chemistry 46(12) (2022) 5638-5652
Space group: C 1 2/c 1
Cell volume: 3837.7
Cell parameters: 16.7802; 18.5879; 13.4134; 90; 113.467; 90;  

COD ID: 7061362
CIF file Formula: - C64 H69 Dy2 N4 O25 Zn2 -
Comments: Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch. The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization New Journal of Chemistry 46(12) (2022) 5627-5637
Space group: C 1 2/c 1
Cell volume: 6695.7
Cell parameters: 24.5331; 12.5457; 22.6949; 90; 106.551; 90;  

COD ID: 7061363
CIF file Formula: - C15 H15 N O3 -
Comments: Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch. The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization New Journal of Chemistry 46(12) (2022) 5627-5637
Space group: P b c a
Cell volume: 2618.13
Cell parameters: 14.2508; 9.3792; 19.5878; 90; 90; 90;  

COD ID: 7061364
CIF file Formula: - C9 H10 O3 -
Comments: Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch. The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization New Journal of Chemistry 46(12) (2022) 5627-5637
Space group: P b c a
Cell volume: 1629.16
Cell parameters: 8.8905; 10.3802; 17.6535; 90; 90; 90;  

COD ID: 7061365
CIF file Formula: - C90 H88 Dy4 N6 O23 -
Comments: Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch. The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization New Journal of Chemistry 46(12) (2022) 5627-5637
Space group: P b c n
Cell volume: 9317.2
Cell parameters: 14.3608; 20.9814; 30.9223; 90; 90; 90;  

COD ID: 7061366
CIF file Formula: - C5 H8 I5 N2 S -
Comments: Garau, Alessandra; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pivetta, Tiziana A new assembly of diiodine molecules at the 1,3-dimethylimidazole-2-thione (Me2ImS) template: crystal structure of (Me2ImS)2·(I2)5 New Journal of Chemistry 46(15) (2022) 6870-6877
Space group: P -1
Cell volume: 802.2
Cell parameters: 7.601; 9.536; 11.912; 101.98; 104.86; 97.03;  

COD ID: 7061367
CIF file Formula: - C8 H20 Cl5 N2 O2 Sb -
Comments: Zhuang, Jia-Chang; Tan, Yui-Hui; Fan, Xiao-Wei; Tang, Yun-Zhi; Song, Ning; Zhang, Yi-Hua; Zhang, Hao; Chen, Shao-Peng A 1D chiral infinite chain organic metal halide hybrid with excellent SHG switching and moderate spontaneous polarization New Journal of Chemistry 46(15) (2022) 7103-7107
Space group: P 21 21 21
Cell volume: 1753.68
Cell parameters: 8.7467; 11.3654; 17.6409; 90; 90; 90;  

COD ID: 7061368
CIF file Formula: - C36 H34 N4 -
Comments: Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S. Meso bromination and derivatization of synthetic bacteriochlorins New Journal of Chemistry 46(12) (2022) 5556-5572
Space group: P -1
Cell volume: 687.64
Cell parameters: 6.9576; 8.7932; 12.4732; 106.094; 105.084; 98.5367;  

COD ID: 7061369
CIF file Formula: - C34 H42 N4 O4 -
Comments: Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S. Meso bromination and derivatization of synthetic bacteriochlorins New Journal of Chemistry 46(12) (2022) 5556-5572
Space group: P -1
Cell volume: 743.65
Cell parameters: 6.9814; 9.721; 11.6464; 75.978; 85.771; 75.899;  

COD ID: 7061370
CIF file Formula: - C26 H30 B N O6 S2 -
Comments: Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S. Meso bromination and derivatization of synthetic bacteriochlorins New Journal of Chemistry 46(12) (2022) 5556-5572
Space group: P b c a
Cell volume: 5219
Cell parameters: 13.1157; 13.2742; 29.9769; 90; 90; 90;  

COD ID: 7061371
CIF file Formula: - C35 H44 N4 O5 -
Comments: Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S. Meso bromination and derivatization of synthetic bacteriochlorins New Journal of Chemistry 46(12) (2022) 5556-5572
Space group: P 1 21/c 1
Cell volume: 3241.26
Cell parameters: 13.9883; 11.3135; 20.501; 90; 92.528; 90;  

COD ID: 7061372
CIF file Formula: - C32 H24 N2 O4 -
Comments: Su, Ruige; Zhao, Yuling; Liu, Shiqiang; Li, Peiying; Ma, Jiaying; Zhang, Di; Han, Minghu; Yu, Tianzhi Synthesis and luminescence properties of functionalized V-shaped bis-coumarin derivatives New Journal of Chemistry 46(14) (2022) 6793-6803
Space group: P -1
Cell volume: 1186.42
Cell parameters: 9.0562; 11.4544; 13.3288; 107.53; 98.155; 110.522;  

COD ID: 7061373
CIF file Formula: - C32 H24 N2 O4 S -
Comments: Su, Ruige; Zhao, Yuling; Liu, Shiqiang; Li, Peiying; Ma, Jiaying; Zhang, Di; Han, Minghu; Yu, Tianzhi Synthesis and luminescence properties of functionalized V-shaped bis-coumarin derivatives New Journal of Chemistry 46(14) (2022) 6793-6803
Space group: P -1
Cell volume: 1245.71
Cell parameters: 8.8783; 11.3767; 14.1297; 111.832; 107.85; 91.341;  

COD ID: 7061374
CIF file Formula: - C16 H19 N3 O2 -
Comments: Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K. Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups New Journal of Chemistry 46(13) (2022) 5996-6008
Space group: I 1 2 1
Cell volume: 4040.2
Cell parameters: 16.8439; 8.1225; 29.795; 90; 97.644; 90;  

COD ID: 7061375
CIF file Formula: - C28 H28 Cl4 N6 O5 -
Comments: Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K. Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups New Journal of Chemistry 46(13) (2022) 5996-6008
Space group: P 1 21/n 1
Cell volume: 3238.7
Cell parameters: 17.9651; 7.7876; 23.1518; 90; 90.81; 90;  


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