Crystallography Open Database

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7060933 CIFC42 H34 Fe2 O5 P2 S2P -19.2009; 13.4863; 16.7738
77.342; 89.522; 70.674
1911.7Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua
Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis
New Journal of Chemistry, 2021, 45, 17996-18007
7060934 CIFC43 H36 Fe2 O5 P2 S2P -19.2488; 13.4812; 17.0713
77.746; 89.45; 70.192
1952.5Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua
Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis
New Journal of Chemistry, 2021, 45, 17996-18007
7060935 CIFC17 H20 Cd N3 O11P -110.0192; 10.9995; 11.4502
70.565; 69.674; 63.328
1033.58Guo, Zhongcheng; Zhang, Yimeng; Liu, Jinggang; Han, Bingxue; Li, Gang
Two imidazole multicarboxylate-based MOFs: syntheses, structures and proton conductive properties
New Journal of Chemistry, 2021, 45, 16971-16977
7060936 CIFC13 H16 Au Cl N2 OP 1 21/n 19.012; 10.387; 16.294
90; 105.724; 90
1468.2Costabile, Chiara; Mariconda, Annaluisa; Sirignano, Marco; Crispini, Alessandra; Scarpelli, Francesca; Longo, Pasquale
A green approach for A3-coupling reactions: an experimental and theoretical study on NHC silver and gold catalysts
New Journal of Chemistry, 2021, 45, 18509-18517
7060937 CIFC16 H26 Au Cl N8 O3 S2C 1 2/c 116.21; 7.1384; 23.224
90; 108.986; 90
2541.1Mageed, Ahmed Hassoon; Al-Ameed, Karrar
Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand
New Journal of Chemistry, 2021, 45, 18433-18442
7060938 CIFC8 H9 Au2 Cl3 N4 SP 1 21 17.0766; 12.4355; 8.0835
90; 90.355; 90
711.34Mageed, Ahmed Hassoon; Al-Ameed, Karrar
Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand
New Journal of Chemistry, 2021, 45, 18433-18442
7060939 CIFC9 H14 Au Cl2 N4 O SP -17.3584; 7.8336; 12.6006
99.299; 90.361; 92.429
716.08Mageed, Ahmed Hassoon; Al-Ameed, Karrar
Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand
New Journal of Chemistry, 2021, 45, 18433-18442
7060943 CIFC22 H19 Cl N8 O6 ZnP -113.2; 13.617; 17.2854
94.404; 109.64; 101.574
2831.46Mati, Soumya Sundar; Konar, Saugata; Samai, Boby
Synthesis of an unprecedented H-stitched binuclear crystal structure based on selective fluorescence recognition of Zn2+ in newly synthesized Schiff base ligand with DFT and imaging application in living cells
New Journal of Chemistry, 2021, 45, 18459-18471
7060944 CIFC40 H33 Gd2 N9 Ni O23C 1 2/c 117.5924; 16.7807; 20.6012
90; 110.266; 90
5705.2Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin
Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks
New Journal of Chemistry, 2021, 45, 18790-18795
7060945 CIFC35 H51 Co Gd2 N9 O25P -111.0599; 12.4532; 22.2391
101.704; 103.402; 95.429
2885.2Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin
Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks
New Journal of Chemistry, 2021, 45, 18790-18795
7060946 CIFC26 H20 N2P 1 21/c 111.2948; 15.2912; 10.9882
90; 102.406; 90
1853.47Seenan, Shanthi; Manickam, Saravanakumar; Kulathu Iyer, Sathiyanarayanan
Fluorescent chemosensors for Hg2+ ions based on a pyridine-attached phenanthridine probe
New Journal of Chemistry, 2021, 45, 17667-17673
7060947 CIFC7 H16 Cl2 N10 O11P -14.9672; 12.7852; 14.3081
88.99; 81.51; 86.431
896.93Dai, Changhao; Chen, Jieyi; Tang, Jie; Cheng, Guangbin; Yang, Hongwei
Combining 1,2,4-triazole and pyrazole frameworks for new insensitive energetic materials
New Journal of Chemistry, 2021, 45, 17960-17965
7060954 CIFC5 H10 N10 O5P 1 21/n 19.9197; 7.174; 16.673
90; 106.745; 90
1136.2Chen, Dongxu; Zhao, Jiangshan; Yang, Hongwei; Gu, Hao; Cheng, Guangbin
Introduction of the acylamino group to bridged bis(nitroamino-1,2,4-triazole): a strategy for tuning the sensitivity of energetic materials
New Journal of Chemistry, 2021, 45, 18059-18064
7060955 CIFC21 H22 N5 O3 PP -18.6112; 11.4714; 11.6361
112.34; 92.063; 102.687
1028.08Gholivand, Khodayar; Babaee, Leila Sarmadi; Fallah, Nasrin; Faraghi, Mohammad; Dusek, Michal; Eigner, Vaclav
Synthesis, structural characterization and cytotoxicity of a new proton transfer compound based on 2,4-diamino-1,3,5-triazine: an experimental and computational study
New Journal of Chemistry, 2021, 45, 19755-19763
7060956 CIFC144 H136 N76 O56 S4 Zn2C 1 2/m 131.654; 20.851; 15.488
90; 94.774; 90
10187Guo, Jing; Shi, Lulu; Liu, Mei
Ultrastable cucurbit[6]uril-based multifunctional supramolecular assembly for efficient detection of nitroaromatic compounds and antibiotics
New Journal of Chemistry, 2021, 45, 18221-18228
7060957 CIFC18 H18 Bi Br5 N2I 412.89; 12.89; 13.861
90; 90; 90
2303Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.
Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]
New Journal of Chemistry, 2021, 45, 18349-18357
7060958 CIFC18 H18 I6 N2P 1 21/n 19.3297; 8.3343; 16.1878
90; 94.176; 90
1255.37Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.
Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]
New Journal of Chemistry, 2021, 45, 18349-18357
7060959 CIFC39 H39 Bi I9 N3P 19.66; 11.24; 12.28
100.32; 90.33; 113.41
1199.4Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.
Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]
New Journal of Chemistry, 2021, 45, 18349-18357
7060960 CIFC18 H18 Bi I5 N2I 413.1552; 13.1552; 14.799
90; 90; 90
2561.1Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.
Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]
New Journal of Chemistry, 2021, 45, 18349-18357
7060961 CIFC53 H40 Cd2 N9 O10P -18.1834; 10.3982; 14.0203
74.058; 89.732; 81.788
1134.63Zhang, Feng-Feng; Han, You; Liang, Qian; Wu, Man; Wang, Xiao; Tang, Long; Yue, Er-Lin; Wang, Ji-Jiang; Fu, Feng; Hou, Xiang-Yang
Visible light-assisted photocatalytic degradation of methylene blue in water by highly chemically stable Cd-coordination polymers at room temperature
New Journal of Chemistry, 2021, 45, 19660-19665
7060962 CIFC H N O SP -110.3342; 11.9217; 12.426
115.186; 111.605; 92.28
1252.4Singh, Vedeshwar Narayan; Sharma, Sitaram
The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus
New Journal of Chemistry, 2021, 45, 19347-19357
7060963 CIFC H Cl N O SP -110.44; 11.519; 12.207
112.745; 91.875; 106.279
1282.9Singh, Vedeshwar Narayan; Sharma, Sitaram
The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus
New Journal of Chemistry, 2021, 45, 19347-19357
7060964 CIFC24 H18 Fe N2P 1 21/c 111.276; 7.873; 21.687
90; 100.141; 90
1895.2Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng
D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies
New Journal of Chemistry, 2021, 45, 19917-19927
7060965 CIFC39 H27 Fe N5P -110.264; 12.146; 14.131
109.185; 108.09; 100.867
1496.5Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng
D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies
New Journal of Chemistry, 2021, 45, 19917-19927
7060966 CIFC14 H22 Cu N2 O7P 1 21 111.3916; 5.69116; 12.43561
90; 102.195; 90
788.027Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua
How the magnetic field impacts the chiroptical activities of helical copper enantiomers
New Journal of Chemistry, 2021, 45, 20021-20027
7060967 CIFC14 H22 Cu N2 O7P 1 21 111.386; 5.6909; 12.4062
90; 102.327; 90
785.35Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua
How the magnetic field impacts the chiroptical activities of helical copper enantiomers
New Journal of Chemistry, 2021, 45, 20021-20027
7060968 CIFC21 H27 N5 O9P 1 21/n 19.3506; 18.9562; 12.9324
90; 99.673; 90
2259.7Zhang, Yunan; Duan, Yu; Su, Jin; Liu, Lixin; Feng, Yanru; Wu, Lili; Zhang, Lei; Zhang, Yunjie; Zou, Dongyu; Liu, Yingli
Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions
New Journal of Chemistry, 2021, 45, 19704-19713
7060969 CIFC28 H33 N5 O11P -18.0857; 12.8969; 15.2536
106.133; 103.719; 96.363
1457.6Zhang, Yunan; Duan, Yu; Su, Jin; Liu, Lixin; Feng, Yanru; Wu, Lili; Zhang, Lei; Zhang, Yunjie; Zou, Dongyu; Liu, Yingli
Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions
New Journal of Chemistry, 2021, 45, 19704-19713
7060970 CIFC20 H15 N3 O4 ZnP 1 21/n 18.576; 17.76; 15.79
90; 93.828; 90
2399.6Kumar, Sandeep; Bhambri, Himanshi; Mandal, Sanjay K.
Conformational isomerism involving the carboxylate groups of a linker in metal organic frameworks and its distinctive influence on the detection of ketones
New Journal of Chemistry, 2021, 45, 20219-20226
7060971 CIFC29 H22 N2 OP -17.7989; 9.2736; 15.9266
101.526; 90.3; 109.404
1061.34Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo
A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine
New Journal of Chemistry, 2021, 45, 20173-20180
7060972 CIFC32 H22 N4P b c a16.9114; 8.4024; 35.811
90; 90; 90
5088.6Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo
A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine
New Journal of Chemistry, 2021, 45, 20173-20180
7060973 CIFC80 H76 O16 Si8 Sn2C 1 2/c 123.419; 13.5736; 24.9877
90; 90.902; 90
7942.1Loganathan, Pushparaj; Pillai, Renjith S.; Jeevananthan, Velusamy; David, Ezhumalai; Palanisami, Nallasamy; Bhuvanesh, Nattamai S. P.; Shanmugan, Swaminathan
Assembly of discrete and oligomeric structures of organotin double-decker silsesquioxanes: inherent stability studies
New Journal of Chemistry, 2021, 45, 20144-20154
7060974 CIFC32 H38 O7 Si4 SnP -111.0582; 13.6018; 14.649
115.77; 102.852; 101.735
1818Loganathan, Pushparaj; Pillai, Renjith S.; Jeevananthan, Velusamy; David, Ezhumalai; Palanisami, Nallasamy; Bhuvanesh, Nattamai S. P.; Shanmugan, Swaminathan
Assembly of discrete and oligomeric structures of organotin double-decker silsesquioxanes: inherent stability studies
New Journal of Chemistry, 2021, 45, 20144-20154
7060975 CIFC15 H8 Cl2 O3P -16.4976; 8.4557; 12.4568
79.643; 82.09; 79.56
658.19Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio
X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones
New Journal of Chemistry, 2021, 45, 19928-19940
7060976 CIFC15 H8 Cl2 O3P 1 21/c 111.3596; 14.1923; 8.1555
90; 93.993; 90
1311.63Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio
X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones
New Journal of Chemistry, 2021, 45, 19928-19940
7060977 CIFC15 H8 Cl2 O3P 1 21/n 17.6464; 11.3272; 15.5325
90; 101.017; 90
1320.51Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio
X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones
New Journal of Chemistry, 2021, 45, 19928-19940
7060978 CIFC45 H57 Cl Co N2 O2 P3 SiP 1 21/n 110.1744; 9.3902; 46.7097
90; 94.478; 90
4449Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes
New Journal of Chemistry, 2021, 45, 19950-19956
7060979 CIFC30 H34 Co I O2 P3P b c a21.426; 15.1726; 18.2179
90; 90; 90
5922.4Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes
New Journal of Chemistry, 2021, 45, 19950-19956
7060980 CIFC43 H48 Cl Co N2 O3 P2 SiP 1 21/c 116.7134; 12.4172; 22.7388
90; 90.776; 90
4718.63Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes
New Journal of Chemistry, 2021, 45, 19950-19956
7060981 CIFC46 H59 Cl Co N2 O2 P3 SiP b c a13.6916; 13.9509; 47.3618
90; 90; 90
9046.6Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes
New Journal of Chemistry, 2021, 45, 19950-19956
7060982 CIFC13 H6 Cl3 N3 O2P 1 21/n 110.0723; 13.1809; 10.5798
90; 90.957; 90
1404.4Dolai, Gobinda; Roy, Sayanta; Sen, Srijit; Giri, Rajat Subhra; Mandal, Bhubaneswar
Crystal structure of 1-(2,4,6-trichlorobenzoyloxy) benzotriazole (TCB-OBt): observation of uncommon intermolecular oxygen–oxygen interaction and synthetic application in amidation
New Journal of Chemistry, 2021, 45, 19804-19811
7060983 CIFC13 H10 F3 N3 OP 1 21/c 114.7883; 5.8469; 16.4107
90; 115.755; 90
1278Laha, Joydev K.; Singh, Neha; Hunjan, Mandeep Kaur
Synthesis of unsymmetrical urea from aryl- or pyridyl carboxamides and aminopyridines using PhI(OAc)2via in situ formation of aryl- or pyridyl isocyanates
New Journal of Chemistry, 2021, 45, 18815-18823
7060986 CIFC53 H52 Cl4.5 Dy2 N5 O24 Zn2P -111.58; 14.7628; 19.9717
90.102; 100.59; 99.645
3306.77Liu, Cai-Ming; Hao, Xiang
Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical
New Journal of Chemistry, 2021, 45, 19868-19875
7060987 CIFC53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2P -111.5601; 14.837; 20.0015
89.624; 80.033; 79.843
3324.86Liu, Cai-Ming; Hao, Xiang
Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical
New Journal of Chemistry, 2021, 45, 19868-19875
7060989 CIFC46 H46 La2 N10 O14P 1 21/c 117.973; 14.747; 27.502
90; 97.637; 90
7224.7Chen, Changjuan; Zhang, Aijiang
Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates
New Journal of Chemistry, 2021, 45, 20155-20163
7060990 CIFC48 H49 N11 O14 Pr2P 1 21/c 117.4217; 14.681; 27.191
90; 106.684; 90
6661.8Chen, Changjuan; Zhang, Aijiang
Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates
New Journal of Chemistry, 2021, 45, 20155-20163
7060991 CIFC124 H131 Er5 N24 O33P 1 21/c 135.344; 20.8374; 21.395
90; 100.671; 90
15484.4Chen, Changjuan; Zhang, Aijiang
Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates
New Journal of Chemistry, 2021, 45, 20155-20163
7060992 CIFC45 H46 Eu2 N10 O15P 1 21/n 117.693; 16.389; 24.679
90; 107.611; 90
6821Chen, Changjuan; Zhang, Aijiang
Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates
New Journal of Chemistry, 2021, 45, 20155-20163
7060993 CIFC214 H271 N43 O60 Tb10P 1 21/c 136.9338; 20.8248; 21.7478
90; 101.087; 90
16414.9Chen, Changjuan; Zhang, Aijiang
Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates
New Journal of Chemistry, 2021, 45, 20155-20163
7060994 CIFC28 H22 F2 N2 S2P -17.8394; 12.4027; 12.7386
74.717; 83.855; 89.388
1187.71Maegawa, Rikuto; Kitagawa, Daichi; Hamatani, Shota; Kobatake, Seiya
Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity
New Journal of Chemistry, 2021, 45, 18969-18975
7060995 CIFC30 H26 F2 N2 S2P 1 21/c 19.0824; 19.6538; 15.242
90; 99.908; 90
2680.2Maegawa, Rikuto; Kitagawa, Daichi; Hamatani, Shota; Kobatake, Seiya
Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity
New Journal of Chemistry, 2021, 45, 18969-18975
7060996 CIFC21 H23 Br0.3 Cl0.7 Ir N3P 1 21/c 115.9625; 15.315; 8.0607
90; 95.794; 90
1960.5Li, Rong-Jian; Wang, Yang; Jin, Yan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian
NHC ligand-based half-sandwich iridium complexes: synthesis, structure and catalytic activity in acceptorless dehydrogenation and transfer hydrogenation
New Journal of Chemistry, 2021, 45, 19002-19010
7060997 CIFC20 H24 Cl0.35 I0.65 Ir N2P 1 21/c 113.6569; 8.7972; 16.3348
90; 102.717; 90
1914.4Li, Rong-Jian; Wang, Yang; Jin, Yan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian
NHC ligand-based half-sandwich iridium complexes: synthesis, structure and catalytic activity in acceptorless dehydrogenation and transfer hydrogenation
New Journal of Chemistry, 2021, 45, 19002-19010
7060998 CIFC29 H24 O5P 1 21/n 113.937; 11.056; 15.432
90; 94.595; 90
2370.2Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo
Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate
New Journal of Chemistry, 2021, 45, 19666-19670
7060999 CIFC28 H21 Cl O5P -19.642; 9.6811; 14.0972
83.296; 76.282; 66.624
1173.1Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo
Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate
New Journal of Chemistry, 2021, 45, 19666-19670
7061000 CIFCs Li5 O12 S3P 1 21/c 14.93; 15.558; 14.566
90; 91.349; 90
1116.9Yan, Yuchen; Chen, Yanna; Jiang, Bao; Jing, Qun; Zhang, Jun
Li5Cs(SO4)3: a potential zero-order wave plate material with short deep-ultraviolet cutoff edge
New Journal of Chemistry, 2021, 45, 19883-19888
7061001 CIFC40 H52 O4 P2 S4 ZnC 1 2/c 121.0546; 13.3289; 30.177
90; 91.394; 90
8466.2Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.
Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand
New Journal of Chemistry, 2021, 45, 19402-19415
7061002 CIFC80 H104 Cd2 O8 P4 S8P -112.083; 13.084; 16.602
70.284; 88.794; 62.94
2172.7Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.
Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand
New Journal of Chemistry, 2021, 45, 19402-19415
7061003 CIFC4 K2 N8 O10P b c a10.7902; 12.9624; 17.946
90; 90; 90
2510.05Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun
Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives
New Journal of Chemistry, 2021, 45, 20426-20431
7061004 CIFC4 H5 K N8 O12P 1 21/n 111.266; 6.3213; 19.213
90; 103.155; 90
1332.4Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun
Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives
New Journal of Chemistry, 2021, 45, 20426-20431
7061005 CIFC34 H24 N2 OP 1 21/n 19.37; 21.01; 13.22
90; 102.98; 90
2536Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas
Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety
New Journal of Chemistry, 2021, 45, 19746-19754
7061006 CIFC34 H24 N2 OP -110.211; 10.579; 12.37
99.133; 99.016; 92.7263
1299Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas
Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety
New Journal of Chemistry, 2021, 45, 19746-19754
7061007 CIFC8 H36 Co2 Mo2 N8 O27P -17.4297; 10.377; 10.9734
66.911; 74.016; 87.852
745.79Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061008 CIFCo2 H31 Mo5 N7 O23P 1 21/n 19.3392; 28.0114; 9.6973
90; 102.988; 90
2471.95Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061009 CIFC8 H60 Co4 Mo12 N16 O62 SiI 41/a :216.6637; 16.6637; 23.1974
90; 90; 90
6441.4Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061010 CIFC4 H16 Co Mo N4 Na O13P 1 21/c 18.0975; 11.9126; 15.0744
90; 100.603; 90
1429.28Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061011 CIFC8 H68 Co4 Mo8 N16 O52P -18.5102; 13.7353; 13.9551
95.081; 107.172; 102.579
1500.51Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061012 CIFC8 H72 Co4 Mo8 N16 O54P -18.5113; 13.7625; 13.9561
93.016; 107.318; 103.223
1506.42Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061013 CIFC14 H62 Co4 Mo3 N16 O43P -112.8695; 17.6441; 25.3842
103.533; 101.392; 106.284
5160.9Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja
The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units
New Journal of Chemistry, 2021, 45, 19764-19774
7061014 CIFC16 H36 Br8 N2 SnC 1 2/c 114.4401; 14.7764; 13.9147
90; 90.855; 90
2968.7Liu, Yao; Li, Yu-Kong; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun-Zhi; Han, Ding-Chong; Du, Peng-kang; Zhang, Hao
Multisequential reversible phase transition materials with semiconducting and fluorescence properties: (C8H18BrN)2SnBr6
New Journal of Chemistry, 2021, 45, 20721-20725
7061015 CIFC12 H16 Br N O5P 1 21/c 112.2787; 10.7136; 10.636
90; 107.998; 90
1330.7Saha, Urmila; Mabhai, Subhabrata; Das, Bhriguram; Kumar, Gopinatha Suresh; Brandão, Paula; Dolai, Malay
Combined theoretical and experimental investigation of a DNA interactive poly-hydroxyl enamine tautomer exhibiting “turn on” sensing for Zn2+ in pseudo-aqueous medium
New Journal of Chemistry, 2021, 45, 20806-20817
7061016 CIFC28 H36 Li4 O24 S4P -111.8752; 12.2144; 13.2972
97.241; 99.345; 90.658
1886.96Pisareva, Anna V.; Shilov, Gennady V.; Karelin, Alexander I.; Pisarev, Rostislav V.; Bukun, Nadezhghda G.; Chernyak, Alexander V.; Aldoshin, Sergey M.; Dobrovolsky, Yury A.
Structure and ionic conductivity of the octahydrate of tetralithium salt of calix[4]arenesulfonic acid
New Journal of Chemistry, 2021, 45, 21100-21107
7061017 CIFC23 H25 N O3P 1 21 19.6415; 9.7108; 11.1357
90; 97.262; 90
1034.24Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester
New Journal of Chemistry, 2021, 45, 20735-20742
7061018 CIFC23 H24 Cl N O3P 1 21 19.5094; 18.3294; 12.3185
90; 96.75; 90
2132.25Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester
New Journal of Chemistry, 2021, 45, 20735-20742
7061019 CIFC23 H24 F N O3P 21 21 219.0522; 13.559; 16.6684
90; 90; 90
2045.86Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester
New Journal of Chemistry, 2021, 45, 20735-20742
7061020 CIFC23 H25 N O3P 1 21/n 19.1174; 13.0496; 16.4573
90; 97.831; 90
1939.8Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester
New Journal of Chemistry, 2021, 45, 20735-20742
7061021 CIFC23 H24 Cl N O3P 1 21/n 113.0861; 9.8938; 16.1156
90; 94.928; 90
2078.79Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester
New Journal of Chemistry, 2021, 45, 20735-20742
7061022 CIFC93 H77 Cd2 N7 O11P 1 2/c 114.4126; 20.6834; 16.477
90; 104.14; 90
4763Asad, Muhammad; Wang, Shan; Wang, Qian-You; Li, Lin-Ke; Anwar, Muhammad Imran; Younas, Ayesha; Zang, Shuang-Quan
Aqueous media ultra-sensitive detection of antibiotics via highly stable luminescent 3D Cadmium-based MOF
New Journal of Chemistry, 2021, 45, 20887-20894
7061023 CIFC14 H14 Cl N3 O2P 1 21/n 110.9144; 8.5835; 15.515
90; 101.152; 90
1426.06García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel
Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen
New Journal of Chemistry, 2021, 45, 22053-22061
7061024 CIFC13 H19 N3 O2P 1 c 116.6291; 7.1628; 10.9025
90; 92.168; 90
1297.7García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel
Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen
New Journal of Chemistry, 2021, 45, 22053-22061
7061025 CIFC3 H8 Br4 N6 PbP 1 21/c 16.013; 21.3814; 10.2099
90; 104.132; 90
1272.92Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Radicchi, Eros; Tozri, Anowar; Naïli, Houcine; Berber, Mohamed R.
Tunable broad-band white-light emission in two-dimensional (110)-oriented lead bromide perovskite (C3H8N6)[PbBr4]: optical, electronic and luminescence properties
New Journal of Chemistry, 2021, 45, 20850-20859
7061026 CIFC28 H28 Dy N13 O5 S3P b c a13.7368; 17.5335; 31.0162
90; 90; 90
7470.4Chen, Peiqiong; Sun, Xiao; Guo, Xuefeng; Liu, Dan; Liu, Hou-Ting; Lu, Jing; Tian, Haiquan
A quasilinear hydrazone-based mononuclear dysprosium compound with C4v symmetry exhibiting field-induced complex magnetic relaxation
New Journal of Chemistry, 2021, 45, 21708-21715
7061027 CIFC6 H12 Mn0.5 N3 O S2P 1 21/c 111.1894; 7.3513; 13.8269
90; 111.428; 90
1058.74Huang, Yao; Zhang, Tie; Chu, Lu-Lu; Zhang, Yi; Ge, Jia-Zhen; Fu, Da-Wei
A hybrid hydrochromic molecular crystal applicable to invisible ink with high reversibility
New Journal of Chemistry, 2021, 45, 21006-21010
7061028 CIFC51 H60 N4 O4P -112.9973; 19.3514; 19.6063
113.984; 94.612; 91.666
4480.6Martell, Mark; Ocheje, Michael U.; Gelfand, Benjamin S.; Rondeau-Gagné, Simon; Welch, Gregory C.
Sidechain engineering of N-annulated perylene diimide molecules
New Journal of Chemistry, 2021, 45, 21001-21005
7061029 CIFC44 H32 N4 S8P 1 21/c 113.6654; 14.8503; 20.1186
90; 92.85; 90
4077.72Dekhtiarenko, Maksym; Allain, Magali; Carré, Vincent; Aubriet, Frédéric; Voitenko, Zoia; Sallé, Marc; Goeb, Sébastien
Comparing the self-assembly processes of two redox-active exTTF-based regioisomer ligands
New Journal of Chemistry, 2021, 45, 21015-21019
7061030 CIFC36 H27 Cl Cu F12 N2 O6P -19.4631; 13.7164; 15.5325
91.745; 97.906; 105.7
1917.6Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Akimov, A. V.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.
Field supported slow magnetic relaxation in a quasi-one-dimensional copper(ii) complex with a pentaheterocyclic triphenodioxazine
New Journal of Chemistry, 2021, 45, 21912-21918
7061031 CIFC16 H14 Mn N8 O10P -16.963; 8.591; 10.532
105.2; 97.89; 109.8
554Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.
Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion
New Journal of Chemistry, 2021, 45, 21684-21691
7061032 CIFC16 H10 N8 O8 ZnP -17.054; 7.9485; 9.4149
90.829; 110.004; 93.622
494.68Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.
Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion
New Journal of Chemistry, 2021, 45, 21684-21691
7061033 CIFC56 H38 Eu2 F8 O18P -19.0953; 11.3783; 13.6591
110.681; 93.121; 92.453
1317.6Tubau, Ànnia; Rodríguez, Laura; Lázaro, Ariadna; Vicente, Ramon; Font-Bardía, Mercè
Improving the emission quantum yield in dinuclear Eu(iii) and Tb(iii) complexes with 2-fluorobenzoate
New Journal of Chemistry, 2021, 45, 22208-22215
7061034 CIFC5 H4 N12 O2P 1 21/n 113.252; 4.7966; 17.536
90; 105.273; 90
1075.3Lang, Qing; Wang, Qian; Lin, Qiuhan; Xu, Yuangang; Lu, Ming
C5H2N14O6: achieving azido-based materials with zero oxygen balance and good energetic performance
New Journal of Chemistry, 2021, 45, 20542-20546
7061035 CIFC5 H2 N14 O6P 1 21/n 19.7238; 6.6508; 20.1429
90; 92.855; 90
1301Lang, Qing; Wang, Qian; Lin, Qiuhan; Xu, Yuangang; Lu, Ming
C5H2N14O6: achieving azido-based materials with zero oxygen balance and good energetic performance
New Journal of Chemistry, 2021, 45, 20542-20546
7061036 CIFC27 H27 Cl2 N3 PdP 1 21/n 19.253; 12.484; 21.9892
90; 93.781; 90
2534.54Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gürbüz, N.; Özdemir, I.
N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C–H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities
New Journal of Chemistry, 2021, 45, 21248-21262
7061037 CIFC33 H23 F3 N2 O3P 1 21/c 19.52763; 22.8402; 12.17728
90; 95.6178; 90
2637.21Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.
Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones
New Journal of Chemistry, 2021, 45, 22034-22038
7061038 CIFC31 H21 F3 N4 OP 1 21 111.6334; 6.6182; 16.7064
90; 91.462; 90
1285.84Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.
Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones
New Journal of Chemistry, 2021, 45, 22034-22038
7061039 CIFC29 H24 F3 N3 O3P 21 21 2111.8475; 13.5471; 15.2567
90; 90; 90
2448.69Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.
Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones
New Journal of Chemistry, 2021, 45, 22034-22038
7061040 CIFC26 H24 N4 SP -18.9131; 11.8184; 21.8914
91.003; 95.825; 106.344
2198.83Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab
Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission
New Journal of Chemistry, 2021, 45, 21236-21247
7061041 CIFC26 H18 N4P 1 21/c 117.0172; 14.7978; 8.29705
90; 98.9384; 90
2063.97Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab
Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission
New Journal of Chemistry, 2021, 45, 21236-21247
7061042 CIFC27 H20 N4P 1 21/c 110.142; 9.8864; 21.3253
90; 97.274; 90
2121Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab
Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission
New Journal of Chemistry, 2021, 45, 21236-21247
7061043 CIFC55 H38 N4P 1 21/c 142.8295; 9.8166; 19.5245
90; 95.51; 90
8171Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang
Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives
New Journal of Chemistry, 2021, 45, 21327-21333
7061044 CIFC56 H38 Cl2 N4P -112.057; 12.616; 16.803
70.51; 86.9; 64.39
2160.51Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang
Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives
New Journal of Chemistry, 2021, 45, 21327-21333

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