Crystallography Open Database

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1559817 CIFC59 H46 B F21 Mg N2P -111.5844; 12.7186; 19.132
86.186; 77.9; 80.916
2720.03Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
Chemical science, 2020, 12, 2410-2418
1559818 CIFC65 H58 B Br F20 Mg N2P 1 21/c 118.6127; 17.9643; 18.7424
90; 102.994; 90
6106.32Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
Chemical science, 2020, 12, 2410-2418
1559819 CIFC71 H63 B F22 Mg N2P 1 21/c 118.3734; 18.0983; 19.7295
90; 98.061; 90
6495.77Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
Chemical science, 2020, 12, 2410-2418
1559820 CIFC71 H63 Al2 F57 Mg N2 O6P -111.3521; 15.9191; 24.738
74.924; 85.545; 89.29
4303.5Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
Chemical science, 2020, 12, 2410-2418
1559821 CIFC71 H56 B F23 Mg N2P -112.2177; 15.9583; 17.8965
102.494; 106.268; 96.734
3210.89Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
Chemical science, 2020, 12, 2410-2418
1559822 CIFC65 H58 B F20 I Mg N2P 1 21/c 118.7237; 18.0226; 18.7649
90; 102.692; 90
6177.5Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
Chemical science, 2020, 12, 2410-2418
1559823 CIFC20 H14 N4C 1 2/c 115.8604; 11.0803; 9.0716
90; 109.9; 90
1499.03Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559824 CIFC56 H64 F24 N8 P4P -18.895; 12.069; 15.1617
103.06; 94.575; 103.138
1529.2Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559825 CIFC56 H64 F24 N8 P4P 1 2/n 117.127; 8.8196; 21.3425
90; 103.355; 90
3136.7Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559826 CIFC104 H100 Ag2 B2 N8A e a 28.9095; 41.3302; 26.6661
90; 90; 90
9819.3Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559827 CIFC61.5 H44.5 F10.5 N9 O11.5 S3.5P 1 21/m 18.0294; 19.1408; 19.9693
90; 94.97; 90
3057.5Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559828 CIFC40 H28 N8P 1 21/n 19.2542; 15.7442; 9.9997
90; 94.804; 90
1451.8Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559829 CIFC28 H18 N4P -16.4661; 8.1703; 10.3854
69.264; 78.354; 79.8
499.2Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng
Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.
Chemical science, 2020, 12, 2165-2171
1559845 CIFC189 H28 S10 Th2P b c a21.6511; 21.3564; 22.0916
90; 90; 90
10214.9Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning
Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.
Chemical science, 2020, 12, 2488-2497
1559846 CIFC93 H14 S2 UP 1 21/n 111.3037; 21.8879; 20.9098
90; 101.257; 90
5073.9Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning
Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.
Chemical science, 2020, 12, 2488-2497
1559850 CIFC37 H38 B2 Fe N10C 1 2/c 116.6461; 17.2299; 24.132
90; 102.636; 90
6753.7Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Chemical science, 2020, 12, 2231-2241
1559851 CIFC65 H63 B4 Fe2 N20P -112.5636; 13.684; 20.5835
98.128; 100.359; 115.218
3053.3Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Chemical science, 2020, 12, 2231-2241
1559852 CIFC37 H38 B2 F6 Fe N10 SbP 1 21/n 111.98; 25.1657; 14.4893
90; 114.204; 90
3984.3Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Chemical science, 2020, 12, 2231-2241
1559853 CIFC43 H41 B2 Br Fe N9P -110.252; 12.025; 18.4
104.192; 92.618; 112.901
2000.4Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Chemical science, 2020, 12, 2231-2241
1559854 CIFC31 H29 B2 F Fe N9P n m a8.245; 19.3287; 18.0484
90; 90; 90
2876.3Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Chemical science, 2020, 12, 2231-2241
1559855 CIFC45 H50 B2 Fe N10 OP 1 2/c 118.7182; 24.1607; 23.662
90; 98.957; 90
10570.5Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Chemical science, 2020, 12, 2231-2241
1559856 CIFC30 H50 B2 N2 Ni O2 P2P 1 c 19.294; 15.3277; 11.7365
90; 107.92; 90
1590.82Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.
Chemical science, 2020, 12, 2540-2548
1559857 CIFC20 H24 B2 N2 O4P 1 21/n 19.273; 18.201; 11.69
90; 106.121; 90
1895.4Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.
Chemical science, 2020, 12, 2540-2548
1559858 CIFC36 H55 B2 N3 Ni O4 P2P 21 21 217.5213; 20.1284; 12.3444
90; 90; 90
4353.6Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.
Chemical science, 2020, 12, 2540-2548
1559859 CIFC30 H48 B2 N2 Ni O2 P2C 1 2/c 122.532; 11.3598; 26.302
90; 104.066; 90
6530.4Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.
Chemical science, 2020, 12, 2540-2548
1559860 CIFC25 H31 K O8P 1 21/c 18.3399; 27.1397; 11.0226
90; 100.071; 90
2456.4Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.
Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.
Chemical science, 2020, 12, 3039-3049
1559861 CIFC66 H81 K2 N2 O14P 1 21/c 114.2195; 34.538; 13.8905
90; 113.176; 90
6271.3Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.
Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.
Chemical science, 2020, 12, 3039-3049
1559862 CIFC51 H69 K2 O14P 21 21 2114.237; 18.7126; 19.1013
90; 90; 90
5088.8Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.
Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.
Chemical science, 2020, 12, 3039-3049
1559874 CIFC54 H42 Cl6 D2 N2 O10P 1 21/n 111.8889; 14.4911; 14.9954
90; 104.794; 90
2497.81Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming
Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.
Chemical science, 2020, 12, 2940-2947
1559875 CIFC30 H27 N3 O5P 21 21 2110.8152; 12.5754; 20.1202
90; 90; 90
2736.46Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming
Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.
Chemical science, 2020, 12, 2940-2947
1559876 CIFC55 H46 Cl2 N2 O11P 41 21 219.2448; 19.2448; 26.8461
90; 90; 90
9942.8Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming
Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.
Chemical science, 2020, 12, 2940-2947
1559888 CIFC7 H4 D6 O6P n a 2112.1157; 6.1134; 9.97
90; 90; 90
738.46Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.
Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes
Chemical Science, 2021, 12, 2549-2557
1559889 CIFC14 H18 O8P 1 21 110.4164; 6.6513; 11.2592
90; 96.9535; 90
774.33Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.
Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes
Chemical Science, 2021, 12, 2549-2557
1559890 CIFC26 H34 N2 O6 SP 1 21 16.2203; 17.3233; 11.9123
90; 92.951; 90
1281.92Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng
Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.
Chemical science, 2020, 12, 2614-2622
1559891 CIFC26 H25 OI 1 2 111.9345; 7.2394; 22.679
90; 99.029; 90
1935.2Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng
Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.
Chemical science, 2020, 12, 2614-2622
1559892 CIFC23 H24 OP -19.4684; 10.1128; 11.1589
111.746; 114.773; 91.316
880.77Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng
Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.
Chemical science, 2020, 12, 2614-2622
1559907 CIFC12 H22 B Fe NP 1 21/c 112.5601; 7.39591; 14.8102
90; 98.207; 90
1361.68Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
Chemical Science, 2021, 12, 2885-2889
1559908 CIFC68 H60 B2 F24 Fe N O2 PP -112.9415; 14.6375; 19.3031
103.817; 92.601; 92.604
3541.17Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
Chemical Science, 2021, 12, 2885-2889
1559909 CIFC81 H67 B2 F24 Fe N P2P 1 21/c 113.1206; 16.6063; 36.1078
90; 93.609; 90
7851.73Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
Chemical Science, 2021, 12, 2885-2889
1559910 CIFC28 H31 B Fe N PP 1 21/c 115.3228; 26.7339; 35.8973
90; 99.93; 90
14484.6Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
Chemical Science, 2021, 12, 2885-2889
1559911 CIFC28 H33 B Fe N PP 1 21/n 110.668; 10.792; 21.922
90; 92.119; 90
2522.1Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
Chemical Science, 2021, 12, 2885-2889
1559946 CIFC30 H14 Cd N4 O8 SP b a m12.8322; 19.9878; 20.044
90; 90; 90
5141.03Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.
A cofacial metal‒organic framework based photocathode for carbon dioxide reduction
Chemical Science, 2021, 12, 3608-3614
1559947 CIFC30 H14 Cd N4 O8 SP b a m12.9936; 19.8725; 20.0366
90; 90; 90
5173.76Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.
A cofacial metal‒organic framework based photocathode for carbon dioxide reduction
Chemical Science, 2021, 12, 3608-3614
1559948 CIFC10 H34 I12 N4 Pb3C 1 2/m 18.909; 9.012; 27.896
90; 92.832; 90
2237Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua
A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection
Chemical Science, 2021, 12, 3050-3054
1559949 CIFC10 H34 I12 N4 Pb3P 1 c 127.3848; 9.0015; 8.8216
90; 95.999; 90
2162.65Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua
A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection
Chemical Science, 2021, 12, 3050-3054
1559953 CIFC15 H19 F3 N2 O5 Pt SP 1 21/n 111.3867; 13.3132; 12.4183
90; 92.717; 90
1880.42Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A.
Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation
Chemical Science, 2021, 12, 2960-2969
1559954 CIFC10 H13 F2 N O4 S2P 1 21 16.9704; 8.0097; 11.9695
90; 100.105; 90
657.9Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela
2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases
Chemical Science, 2021, 12, 2898-2908
1559955 CIFC224 H252 Au44 S28R -3 c :H45.692; 45.692; 77.435
90; 90; 120
140007Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan
Cd-driven surface reconstruction and photodynamics in gold nanoclusters
Chemical Science, 2021, 12, 3290-3294
1559956 CIFC240 H270 Au38 Cd4 S30P -135.243; 36.193; 46.321
78.898; 74.68; 79.183
55332Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan
Cd-driven surface reconstruction and photodynamics in gold nanoclusters
Chemical Science, 2021, 12, 3290-3294
1559978 CIFC30 H36 N2 S2P -17.0096; 11.6756; 17.1032
96.573; 98.931; 99.536
1349.48Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.
N-Oxide S‒O chalcogen bonding in conjugated materials
Chemical Science, 2021, 12, 2304-2312

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