Crystallography Open Database

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1559979 CIFC30 H36 N2 O S2P -16.7333; 7.2344; 14.884
85.396; 80.658; 74.043		687.4Sinclair, 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
1559980 CIFC18 H15 N O3P 1 21/c 15.974; 16.697; 14.741
90; 91.617; 90		1469.8Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu
C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis
Chemical Science, 2021, 12, 3216-3225
1559981 CIFC18 H15 N O3P -18.1516; 8.1871; 11.8093
96.901; 107.557; 92.751		743.01Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu
C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis
Chemical Science, 2021, 12, 3216-3225
1559982 CIFC285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12P -121.3948; 27.211; 29.938
80.347; 70.094; 67.283		15103Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou
New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts
Chemical Science, 2021, 12, 3660-3667
1559983 CIFC298 H333 Ag22 B2 Fe3 P6 S12P -121.412; 27.2727; 29.7612
79.123; 70.493; 66.956		15040.9Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou
New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts
Chemical Science, 2021, 12, 3660-3667
1559984 CIFC84 H116 Fe2 K2 N4 Si4 Sm2C 1 2/c 114.315; 21.977; 26.509
90; 95.58; 90		8300Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559985 CIFC34 H62 Fe N2 O3 Si2 YbP 21 21 2113.9723; 15.8539; 16.9858
90; 90; 90		3762.62Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559986 CIFC52 H92 Fe2 N4 O2 Si4 Yb2P -111.5553; 12.3812; 12.4512
112.215; 96.684; 113.262		1439.25Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559987 CIFC104 H182 Fe2 K2 N4 O18 Si4 Sm2P -115.0158; 15.8062; 28.2213
83.357; 79.591; 66.665		6041.8Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559988 CIFC34 H62 Fe N2 O6 Si2 YbP -111.3145; 13.0374; 14.2432
87.291; 81.628; 71.282		1968.71Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559989 CIFC64 H106 Fe2 K2 N4 O2 Si4 Yb2P 1 21/n 113.2467; 18.78; 14.5436
90; 100.579; 90		3556.6Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559990 CIFC34 H62 Fe N2 O6 Si2 YbP 1 21 110.201; 33.0414; 12.1739
90; 105.418; 90		3955.6Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.
Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.
Chemical science, 2020, 12, 227-238
1559991 CIFC23 H35 Fe N O3 SP 1 21/c 126.9077; 7.4341; 11.4663
90; 100.496; 90		2255.3Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F.
Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect.
Chemical science, 2020, 12, 270-281
1559992 CIFC29 H21 N3 O PtP 1 21/n 110.309; 13.9097; 15.4326
90; 101.658; 90		2167.31Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
Chemical Science, 2021, 12, 3270-3281
1559993 CIFC29 H17 F4 N3 O PdP -111.8675; 12.4514; 17.2457
94.655; 96.279; 113.088		2308.6Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
Chemical Science, 2021, 12, 3270-3281
1559994 CIFC29 H19 F2 N3 O PtP -19.3869; 11.7589; 11.9012
117.792; 105.826; 94.593		1084.42Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
Chemical Science, 2021, 12, 3270-3281
1559995 CIFC29 H17 F4 N3 O PtP 1 2/c 122.8339; 9.8626; 22.7576
90; 117.704; 90		4537.52Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
Chemical Science, 2021, 12, 3270-3281
1559996 CIFC29 H17 F4 N3 O PtP -19.6007; 11.7181; 12.0959
118.283; 95.325; 104.556		1123.48Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
Chemical Science, 2021, 12, 3270-3281
1559997 CIFC23 H40 Cl O2 P PdP 1 21/n 19.7932; 13.0955; 19.8473
90; 93.9044; 90		2539.4Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok
The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes.
Chemical science, 2020, 12, 363-373
1559998 CIFC126 H53 N5 Ni S2 U2P 1 21/c 117.6663; 16.9578; 26.7308
90; 106.76; 90		7667.88Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning
U<sub>2</sub>N@<i>I</i> <sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster.
Chemical science, 2020, 12, 282-292
1559999 CIFC64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 SbP -111.9921; 12.28439; 21.733
94.518; 91.0356; 101.524		3125.45Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni
"Bottled" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes.
Chemical science, 2020, 12, 477-486
1560000 CIFC28 H46 Li N2 O P3P 1 21/n 110.215; 30.038; 10.723
90; 116.107; 90		2954.5Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560001 CIFC58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2P 1 21/c 111.6149; 16.6838; 20.0416
90; 90.81; 90		3883.3Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560002 CIFC40 H38 Cl2 N2 O P3 TiP 1 21/n 110.1219; 16.662; 22.432
90; 99.27; 90		3733.8Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560003 CIFC45 H44 Cl N4 P3 TiP -112.209; 12.264; 15.876
97.041; 99.249; 98.343		2295.3Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560004 CIFC24 H38 Cl3 N2 P3 ZrP b c a16.455; 16.291; 22.0025
90; 90; 90		5898.2Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560005 CIFC29 H49 Au Cl4 N3 P3 TiP n m a14.2921; 13.7871; 18.9179
90; 90; 90		3727.7Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560006 CIFC147 H126 Cl18 N8 P12 Zr4P -111.8938; 12.0699; 27.548
82.319; 80.357; 70.217		3656.1Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560007 CIFC77 H70 B Cl2 N2 O2 P3 TiP -111.7665; 13.781; 20.643
82.299; 86.711; 80.965		3273.7Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560008 CIFC48 H76 Cu2 N4 P6C 1 2/c 131.2123; 11.3573; 16.6578
90; 111.69; 90		5486.9Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560009 CIFC28 H47 Cl N3 P3 TiP 1 21/n 119.7139; 17.7743; 20.2496
90; 112.411; 90		6559.6Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560010 CIFC24 H38 Cl2 N2 P3 TiP 1 21/n 111.1686; 15.39; 16.608
90; 99.796; 90		2813Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560011 CIFC45 H44 Cl N4 P3 TiP -112.209; 12.264; 15.876
97.041; 99.249; 98.343		2295.3Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560012 CIFC47 H47 Cl N3 P3 TiP 1 21/c 112.4622; 22.1019; 15.1862
90; 94.567; 90		4169.6Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Chemical science, 2020, 12, 253-269
1560015 CIFC18 H24 O2P -18.3649; 10.0504; 10.2831
73.682; 70.348; 86.635		780.74Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank
Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement
Chemical Science, 2021, 12, 2816-2822
1560016 CIFC12 H21 N O2 SP -16.3005; 10.5228; 10.9791
65.837; 82.374; 88.124		658.07Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank
Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement
Chemical Science, 2021, 12, 2816-2822
1560017 CIFC22 H26 O2P 1 21/n 110.5885; 8.3629; 20.6387
90; 99.927; 90		1800.21Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank
Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement
Chemical Science, 2021, 12, 2816-2822
1560018 CIFC35 H35 N2 O PP -18.9009; 10.4501; 17.0815
104.343; 91.133; 112.507		1410.37Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560019 CIFC33 H30 N O PP -18.2229; 12.4346; 13.1943
108.632; 96.25; 93.485		1264.24Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560020 CIFC32 H22 F3 O4 P SP 1 21/c 17.4114; 15.707; 22.5898
90; 92.536; 90		2627.1Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560021 CIFC33 H25 F3 N O3 P SP n a 218.0035; 27.389; 12.6664
90; 90; 90		2776.6Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560022 CIFC34 H29 F3 N O3 P SP 1 21/c 18.9602; 11.4072; 28.9126
90; 93.074; 90		2950.9Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560023 CIFC33 H25 F3 N O3 P SP 1 21/c 116.162; 12.9217; 14.4246
90; 107.362; 90		2875.2Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560024 CIFC36 H34 F3 N2 O3 P SP 1 21/c 111.0775; 19.2817; 15.3042
90; 104; 90		3171.8Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560025 CIFC33 H29 Au B Cl F4 N PP 1 21 18.2171; 20.0635; 9.9302
90; 111.472; 90		1523.51Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560026 CIFC36 H33 Au B2 F8 N P SP 1 21/c 116.5012; 15.8634; 13.7254
90; 92.673; 90		3588.9Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560027 CIFC37 H37 Au B2 F8 N P SP 1 21 18.2911; 15.0763; 14.2431
90; 97.96; 90		1763.2Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560028 CIFC39 H42 Au B2 F8 N2 P SP 1 21/n 110.2268; 8.5127; 45.347
90; 94.336; 90		3936.5Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560029 CIFC35 H34 Au B Cl F4 N2 PP 1 21/c 120.6017; 8.5026; 20.569
90; 118.012; 90		3180.9Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560030 CIFC36 H32 Au B2 Cl2 F8 O P SP -18.0106; 12.2124; 19.0728
99.359; 93.578; 101.894		1792.6Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
Chemical Science, 2021, 12, 3929-3936
1560031 CIFC52 H96 O Si8 U2P 21 21 2110.5444; 18.4631; 31.5083
90; 90; 90		6134.1Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1560032 CIFC26 H50 O Si4 UP 1 21/n 117.5935; 9.977; 18.6747
90; 110.001; 90		3080.27Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1560033 CIFC58.34 H113.47 O Si9 U2P -420.3708; 20.3708; 16.6734
90; 90; 90		6918.95Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1560034 CIFC84 H168 Si12 U2P 1 21/c 126.7057; 15.99077; 26.5612
90; 117.35; 90		10074.9Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1560035 CIFC24 H44 Si4 UI 41/a :231.8409; 31.8409; 11.0234
90; 90; 90		11176Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1560036 CIFC28 H52 O Si4 UP 21 21 2111.40224; 16.98119; 17.03377
90; 90; 90		3298.14Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1560037 CIFC34 H48 N4 P2P -17.5552; 9.5169; 11.8279
76.651; 84.11; 72.543		788.85Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst
Chemical Science, 2021, 12, 2909-2915
1560038 CIFC48 H58 N4 Si2C 1 2/c 125.072; 9.1667; 19.7603
90; 99.889; 90		4474Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst
Chemical Science, 2021, 12, 2909-2915
1560039 CIFC34 H48 N4 Ni P2P -110.1955; 10.3773; 16.0898
76.412; 80.446; 88.451		1631.6Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst
Chemical Science, 2021, 12, 2909-2915
1560040 CIFC55 H66 N4 Ni Si2P 1 21/m 19.1662; 26.4418; 9.8935
90; 90.567; 90		2397.8Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst
Chemical Science, 2021, 12, 2909-2915
1560078 CIFC19 H13 N OP 21 21 2117.214; 14.4042; 5.5668
90; 90; 90		1380.3Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Chemical Science, 2021, 12, 3580-3586
1560079 CIFC19 H12 F N OP b c a11.8585; 10.3783; 22.8559
90; 90; 90		2812.9Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Chemical Science, 2021, 12, 3580-3586
1560080 CIFC19 H12 F N OP 1 21/n 114.608; 5.4287; 18.371
90; 107.996; 90		1385.6Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Chemical Science, 2021, 12, 3580-3586
1560081 CIFC19 H12 F N OP 1 21/c 18.9406; 22.597; 7.0302
90; 91.313; 90		1419.9Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng
Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime
Chemical Science, 2021, 12, 3580-3586
1560082 CIFC56 H63 N5 O4P 1 21/c 114.7734; 17.4936; 18.6427
90; 90.2338; 90		4817.98Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J.
A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release
Chemical Science, 2021, 12, 3188-3193
1560083 CIFC108 H98 Mn4 Mo9 N3 O43 P5P -116.1432; 18.3888; 24.571
94.772; 109.004; 106.661		6480.2Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke
A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
Chemical Science, 2021, 12, 1240-1244
1560084 CIFC174 H174 Cl20 Mn6 Mo18 O74 P8P -117.3006; 19.39; 20.7716
95.31; 112.975; 99.33		6236.6Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke
A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
Chemical Science, 2021, 12, 1240-1244
1560085 CIFC22 H33 IrP 1 21/n 18.01647; 16.3246; 15.049
90; 92.985; 90		1966.73Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.
Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity
Chemical Science, 2021, 12, 3568-3579
1560086 CIFC20 H23 IrC 1 c 122.2884; 22.2818; 26.1267
90; 97.5244; 90		12863.5Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.
Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity
Chemical Science, 2021, 12, 3568-3579
1560094 CIFC51 H48 O6 SP 21 21 218.0941; 17.5936; 32.602
90; 90; 90		4642.7Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry
Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release
Chemical Science, 2021, 12, 3651-3659
1560095 CIFC36 H53 B N6 O3 P2 Pd WP 1 21/c 116.8853; 15.2569; 15.7122
90; 91.701; 90		4046Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.
Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”
Chemical Science, 2021, 12, 3682-3692
1560096 CIFC32 H48 O3 P2 Pd WP 1 21/c 18.2012; 37.372; 10.9355
90; 103.388; 90		3260.59Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.
Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”
Chemical Science, 2021, 12, 3682-3692
1560097 CIFC21 H30 B F2 N O5P 1 21/c 114.1856; 17.0247; 9.5406
90; 94.364; 90		2297.4Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi
Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes
Chemical Science, 2021, 12, 3599-3607
1560098 CIFC22 H34 Cl2 N2 O6 Rh2P 1 21/n 19.2163; 11.7129; 13.3216
90; 108.006; 90		1367.63Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi
Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes
Chemical Science, 2021, 12, 3599-3607
1560099 CIFC14 H19 N OP 21 21 219.9241; 11.0168; 24.6334
90; 90; 90		2693.21Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi
Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes
Chemical Science, 2021, 12, 3599-3607
1560100 CIFC23 H16 OP 1 21/n 19.3347; 10.0778; 16.957
90; 101.582; 90		1562.7Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi
o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions
Chemical Science, 2021, 12, 2778-2783
1560101 CIFC26 H20 OP 1 21/c 110.294; 16.632; 11.319
90; 112.274; 90		1793.3Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi
o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions
Chemical Science, 2021, 12, 2778-2783
1560102 CIFC26 H21 B F4 OP 1 21/n 17.4982; 19.0172; 14.6488
90; 99.675; 90		2059.13Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi
o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions
Chemical Science, 2021, 12, 2778-2783
1560103 CIFC4 H2.67 Bi0.67 N4.67 Ni0.67 S4P -18.441; 8.6899; 11.8177
97.574; 92.137; 91.817		858.1Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560104 CIFC4 H2.67 Bi0.67 N4.67 Ni0.67 S4P -18.4472; 8.7119; 11.9671
97.041; 90.364; 91.558		873.67Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560105 CIFC2 H6 N4 SP -16.9352; 7.0096; 12.3675
90.894; 104.311; 101.787		568.89Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560106 CIFC7 Bi N7 Ni S6P 1 2/n 112.216; 36.8375; 24.5263
90; 90.224; 90		11036.9Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560107 CIFC6 H4 Bi N7 Ni S6P -18.4699; 8.6913; 11.9058
97.187; 91.149; 91.61		868.96Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560108 CIFC6 Bi K N6 Ni S6P -18.5073; 8.5686; 11.9651
97.573; 89.781; 90.997		864.46Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560109 CIFC0.92 Bi0.15 N1.25 Ni0.17 S0.86P n -3 :212.12528; 12.12528; 12.12528
90; 90; 90		1782.69Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.
Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Chemical Science, 2021, 12, 3516-3525
1560111 CIFC74 H86 Li4 O2 P2 Si4P -111.4716; 12.6646; 12.7092
85.944; 86.346; 68.446		1711.6Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner
Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry
Chemical Science, 2021, 12, 3460-3474
1560112 CIFC37 H32 O5 P2 Si2 WP 1 21/c 110.6448; 12.9069; 26.22
90; 92.664; 90		3598.5Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner
Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry
Chemical Science, 2021, 12, 3460-3474
1560113 CIFC32 H32 P2 Si2P 1 21/c 112.2157; 10.4934; 22.6538
90; 99.262; 90		2866Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner
Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry
Chemical Science, 2021, 12, 3460-3474
1560114 CIFC53 H60 Cl2 O4 P2 Si4P 1 21/n 110.1186; 18.8541; 27.477
90; 91.367; 90		5240.5Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner
Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry
Chemical Science, 2021, 12, 3460-3474
1560116 CIFC12 H32 Cl5 N4 Ti2P n a 2119.796; 8.413; 13.102
90; 90; 90		2182.1Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Chemical Science, 2021, 12, 3509-3515
1560117 CIFC14 H36 Cl10 N4 Ti2P 1 21/c 113.348; 13.855; 17.166
90; 112.468; 90		2933.6Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Chemical Science, 2021, 12, 3509-3515
1560118 CIFC10 H24 Cl3 N2 O TiP 1 21/n 110.972; 12.308; 12.075
90; 101.587; 90		1597.4Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Chemical Science, 2021, 12, 3509-3515
1560119 CIFC13 H34 Cl4 N4 Ti2C 1 2/c 123.348; 8.843; 12.648
90; 121.198; 90		2233.7Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Chemical Science, 2021, 12, 3509-3515
1560120 CIFC6 H16 Cl I N2 ZnC 1 2/c 123.149; 7.256; 15.032
90; 111.169; 90		2354.5Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Chemical Science, 2021, 12, 3509-3515
1560121 CIFC13 H34 I2 N4 Zn2P 21 21 2111.494; 13.09; 14.921
90; 90; 90		2245Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Chemical Science, 2021, 12, 3509-3515
1560122 CIFC24 H28 N2 O6P 1 21 118.5604; 7.5949; 8.0212
90; 96.383; 90		1123.69Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan
Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens
Chemical Science, 2021, 12, 3264-3269
1560123 CIFC24 H28 N2 O6C 1 2 117.9007; 6.3022; 20.9554
90; 105.356; 90		2279.66Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan
Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens
Chemical Science, 2021, 12, 3264-3269
1560124 CIFC24.63 H29.26 N2 O6.32C 1 2 117.8855; 6.3218; 21.0313
90; 105.346; 90		2293.19Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan
Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens
Chemical Science, 2021, 12, 3264-3269
1560125 CIFC24 H20 O4P 21 21 218.9924; 19.5139; 23.2425
90; 90; 90		4078.52Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng
Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation
Chemical Science, 2021, 12, 3726-3732
1560126 CIFC25 H18 O2P 18.6935; 11.1218; 12.2142
87.376; 70.785; 81.619		1103.26Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng
Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation
Chemical Science, 2021, 12, 3726-3732

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