Crystallography Open Database

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1567970 CIFC38 H24 N4 O VP 1 21/c 118.9568; 8.083; 19.9282
90; 114.25; 90
2784.1Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta
An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.
Chemical science, 2022, 14, 61-69
1567971 CIFC19 H11.5 N2 O0.5 V0.5C c c 220.8648; 27.1717; 11.4881
90; 90; 90
6513Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta
An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.
Chemical science, 2022, 14, 61-69
1567972 CIFC97 H46 N8 O2 V2C 1 2/c 129.2955; 11.3883; 22.5512
90; 96.942; 90
7468.5Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta
An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.
Chemical science, 2022, 14, 61-69
1567996 CIFC42 H42 Cl6 Fe6 N6 O38 Pd3P m -3 n22.1165; 22.1165; 22.1165
90; 90; 90
10818.1Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo
Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions.
Chemical science, 2022, 14, 179-185
1567997 CIFC2 H2 I2 O4 Pb Rb2A m m 26.0662; 6.7946; 13.7817
90; 90; 90
568.046Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao
New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.
Chemical science, 2022, 14, 136-142
1567998 CIFC2 H2 I2 K2 O4 PbA m m 25.8024; 6.774; 13.626
90; 90; 90
535.58Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao
New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.
Chemical science, 2022, 14, 136-142
1567999 CIFC20 H30 Cu3 N6 Na O4 S6C m c e19.568; 10.61; 30.314
90; 90; 90
6294Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1568000 CIFC18 H22 N2 Ni O4 Pd S4C 1 2/c 19.7142; 18.2617; 13.1518
90; 97.378; 90
2313.8Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1568001 CIFC18 H22 Co N2 O4 Pd S4C 1 2/c 19.7593; 18.2739; 13.1854
90; 97.317; 90
2332.3Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1568002 CIFC13 H16 N2 Ni O6 Pt S4P 1 21/c 18.4782; 12.2733; 19.6523
90; 93.668; 90
2040.74Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1568003 CIFC13 H16 Co N2 O6 Pt S4P 1 21/c 18.4707; 12.2809; 19.82
90; 93.914; 90
2057Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1568004 CIFC13 H16 Co N2 O6 Pd S4P 1 21/c 18.4637; 12.3085; 19.8273
90; 93.171; 90
2062.36Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper
Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.
Chemical science, 2023, 14, 266-276
1568005 CIFC37 H27 O2 PP -110.4208; 10.7638; 11.9994
99.167; 94.905; 94.346
1318.41Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568006 CIFC38 H29 B F4.03 N PP 1 21/c 19.0075; 15.4256; 20.8849
90; 93.52; 90
2896.4Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568007 CIFC39 H31 Au B Cl3 F4 N PP -110.796; 12.644; 12.984
86.86; 86.71; 79.67
1739Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568008 CIFC34 H25 Au Cl F3 N O4 P SP -18.73; 13.2735; 14.5419
80.962; 75.294; 80.841
1597.04Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568009 CIFC37 H26 B F4 O PP -18.0558; 13.0237; 13.3743
89.998; 86.084; 84.721
1393.94Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568010 CIFC36 H26 Au B Cl O PP -110.4379; 12.0326; 12.5622
79.075; 70.549; 74.216
1423.07Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568011 CIFC77 H56 Au2 Cl4 F6 O9 P2 S2C 1 2/c 131.863; 9.1593; 25.398
90; 113.066; 90
6819.6Liu, Wei-Chun; Gabbaï, François P.
Placing gold on a π±surface: ligand design and impact on reactivity
Chemical Science, 2023, 14, 277-283
1568013 CIFC54 H46 Cl7 P2 ReP -110.939; 13.109; 18.4122
85.943; 80.643; 72.033
2477.5Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.
Chemical science, 2022, 14, 96-102
1568014 CIFC32 H36 Cl3 P2 ReC 1 2/c 111.082; 18.4374; 15.6667
90; 107.276; 90
3056.66Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.
Chemical science, 2022, 14, 96-102
1568015 CIFC42 H38 Cl3 P2 ReP n a 2123.4928; 11.58031; 13.76598
90; 90; 90
3745.09Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.
Chemical science, 2022, 14, 96-102
1568016 CIFC22.31 H21.62 Cl0.62 N3 O2P 21 21 2114.6467; 14.7349; 18.2076
90; 90; 90
3929.5Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo
Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.
Chemical science, 2023, 14, 251-256
1568021 CIFC120 H96 Cu6 F36 N32 Si6P m -3 n17.5318; 17.5318; 17.5318
90; 90; 90
5388.64Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin
Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.
Chemical science, 2023, 14, 298-309
1568022 CIFC32 H32 Cu F6 N5.33 SiP m -3 n17.5254; 17.5254; 17.5254
90; 90; 90
5382.7Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin
Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.
Chemical science, 2023, 14, 298-309
1568023 CIFC29 H34 Cu F6 N5.33 SiP m -3 n17.4998; 17.4998; 17.4998
90; 90; 90
5359.2Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin
Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.
Chemical science, 2023, 14, 298-309
1568024 CIFC20 H16 Cu F6 N5.33 SiP m -3 n17.5051; 17.5051; 17.5051
90; 90; 90
5364.06Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin
Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.
Chemical science, 2023, 14, 298-309
1568025 CIFC59 H51 N5 O4P 1 21/c 121.815; 24.526; 8.429
90; 95.275; 90
4490.7Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank
Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2023, 14, 284-290
1568026 CIFC60 H52 N4 O4P 18.3457; 9.3455; 17.6411
95.16; 99.293; 115.715
1203.41Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank
Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2023, 14, 284-290
1568027 CIFC36 H28 N2 O2P 1 21/n 18.2004; 31.668; 10.204
90; 99.25; 90
2615.4Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank
Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2023, 14, 284-290
1568028 CIFC60 H52 N4 O4P -116.7768; 17.5515; 17.6585
104.872; 90.047; 109.465
4717Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank
Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2023, 14, 284-290
1568029 CIFC79 H65 N3 O4P -18.202; 14.428; 24.669
90.012; 85.889; 90.023
2912Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank
Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2023, 14, 284-290
1568030 CIFC61 H53 N3 O4P -116.958; 17.1701; 17.8837
104.311; 109.776; 90.172
4726.6Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank
Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2023, 14, 284-290
1568032 CIFC84 H80 F6 N4 O4 P5 Re2C 1 2/c 129.0838; 16.4902; 38.9836
90; 94.942; 90
18626.9Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu
Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.
Chemical science, 2023, 14, 691-704
1568033 CIFC168 H160 N8 O48 P8 Re4 Si W12P -118.8254; 23.1045; 33.0343
101.307; 101.064; 112.648
12422.4Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu
Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.
Chemical science, 2023, 14, 691-704
1568034 CIFC17 H16 B Br F4 N4 OP 21 21 219.7229; 11.8712; 15.4592
90; 90; 90
1784.3Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D.
Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes.
Chemical science, 2022, 14, 162-170
1568035 CIFC44 H68 Br6 Mn5 O22P -110.965; 11.6978; 13.6443
111.74; 101.903; 90.098
1584.79Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter
Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.
Chemical science, 2022, 14, 54-60
1568036 CIFC13 H22 O2 SiP b c a8.0671; 15.0932; 22.4852
90; 90; 90
2737.76Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter
Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.
Chemical science, 2022, 14, 54-60
1568037 CIFC16 H22 O3 Si2P 1 21/n 112.9559; 10.4977; 28.982
90; 95.735; 90
3922Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter
Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.
Chemical science, 2022, 14, 54-60
1568040 CIFC156 H133.5 Cl4.5 F6 N13 O9P -115.6935; 17.9065; 25.3093
102.029; 94.298; 105.192
6649.5Mirabella, Chiara F. M.; Aragay, Gemma; Ballester, Pablo
Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages.
Chemical science, 2022, 14, 186-195
1568041 CIFC16 H14 O3 SP 21 21 217.6531; 10.1518; 18.1461
90; 90; 90
1409.82Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei
Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.
Chemical science, 2023, 14, 317-322
1568042 CIFC16 H14 O2 SP 21 21 217.6856; 10.0965; 18.0404
90; 90; 90
1399.89Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei
Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.
Chemical science, 2023, 14, 317-322
1568044 CIFC15 H12 B3 N3 O3P m m n :211.4709; 9.6054; 10.811
90; 90; 90
1191.2Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu
Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.
Chemical science, 2023, 14, 533-539
1568045 CIFC51 H58 O5P 110.6821; 12.0842; 17.057
93.142; 105.229; 97.685
2096.06Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.
Chemical science, 2023, 14, 827-832
1568046 CIFC51 H56 O5P -19.359; 12.7052; 18.7749
80.266; 79.829; 76.85
2120.34Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.
Chemical science, 2023, 14, 827-832
1568047 CIFC22 H42 Cl2 Hf Si4P b c n17.8746; 9.0854; 18.3865
90; 90; 90
2985.9Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568048 CIFC44 H84 I2 Nd2 Si8P -110.7367; 11.5169; 13.3589
73.257; 83.329; 78.423
1546.66Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568049 CIFC31 H69 Si8 TiC 1 c 110.2297; 23.3116; 18.6778
90; 101.213; 90
4369.08Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568050 CIFC31 H69 La Si8P 1 21/n 117.9162; 13.3218; 20.3331
90; 111.465; 90
4516.4Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568051 CIFC44 H84 I2 Si8 U2P -110.6833; 11.4914; 13.2297
73.117; 83.273; 78.875
1521.72Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568052 CIFC31 H69 Ce Si8P 1 21/n 117.8079; 13.2758; 20.3529
90; 111.045; 90
4490.8Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568053 CIFC31 H69 Si8 ZrP n a 2137.0378; 11.7708; 20.1996
90; 90; 90
8806.31Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568054 CIFC31 H69 Si8 UP 1 21/n 117.9833; 13.2292; 20.4047
90; 111.407; 90
4519.5Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568055 CIFC31 H69 Nd Si8P 1 21/n 117.7679; 13.2234; 20.37
90; 110.891; 90
4471.3Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568056 CIFC18 H15 N2 O2C 1 2/c 120.1187; 16.7884; 8.3834
90; 102.468; 90
2764.8Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi
Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.
Chemical science, 2023, 14, 635-642
1568057 CIFC50 H34 Cl2 N4 O4P -18.0994; 11.7159; 21.0793
102.21; 97.445; 96.128
1919.86Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi
Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.
Chemical science, 2023, 14, 635-642
1568058 CIFC39 H33 Co N2 O2P 1 21/c 19.5098; 20.5556; 15.4387
90; 95.024; 90
3006.36Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi
Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.
Chemical science, 2023, 14, 635-642
1568059 CIFC52 H49 N4 O4F d d 234.9018; 59.974; 7.6088
90; 90; 90
15926.7Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi
Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.
Chemical science, 2023, 14, 635-642
1568061 CIFC29 H28 N2 O3P -18.7151; 9.8582; 14.979
109.017; 94.596; 107.711
1135.83Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim
μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.
Chemical science, 2023, 14, 257-265
1568062 CIFC88 H4 F56 Fe2 N8 O3P 4/n c c :229.489; 29.489; 20.678
90; 90; 90
17982Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim
μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.
Chemical science, 2023, 14, 257-265
1568063 CIFC55 H104 O24 Ti6R -3 :H15.496; 15.496; 53.7557
90; 90; 120
11178.8Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.
Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.
Chemical science, 2023, 14, 675-683
1568064 CIFC30.5 H61 O13 Ti3P -113.2495; 13.414; 14.7584
63.032; 64.038; 65.591
2024.99Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.
Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.
Chemical science, 2023, 14, 675-683
1568065 CIFC31 H67.75 O11 Ti2P n m a21.4239; 15.2022; 25.1197
90; 90; 90
8181.25Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.
Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.
Chemical science, 2023, 14, 675-683
1568066 CIFC48 H96 O24 Ti6P -111.4703; 12.9048; 22.7941
84.7647; 87.1313; 76.867
3270.58Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.
Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.
Chemical science, 2023, 14, 675-683
1568067 CIFC47.57 H88.14 Cl1.14 N O24 Ti6P 1 21/n 114.4104; 20.6054; 24.3253
90; 97.146; 90
7166.9Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.
Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.
Chemical science, 2023, 14, 675-683
1568068 CIFC59 H100 N2 O22 Ti6P 1 21/c 114.5668; 24.3499; 21.7724
90; 106.66; 90
7398.48Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.
Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.
Chemical science, 2023, 14, 675-683
1568069 CIFC54 H68 F N4 O13.2 S1.6R -3 :H11.7156; 11.7156; 76.442
90; 90; 120
9086.4Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.
Turn-on fluorescent capsule for selective fluoride detection and water purification.
Chemical science, 2023, 14, 291-297
1568074 CIFC66 H58 F16 S8P n a 2134.3683; 28.4432; 5.4447
90; 90; 90
5322.44Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
Chemical science, 2022, 14, 70-77
1568075 CIFC56 H32 F16 O2 S8P -113.6071; 14.6029; 15.3344
97.914; 98.988; 110.147
2764.52Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
Chemical science, 2022, 14, 70-77
1568076 CIFC56 H32 F16 S8P -19.5286; 10.3554; 14.25
75.54; 89.177; 73.34
1301.9Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
Chemical science, 2022, 14, 70-77
1568077 CIFC54 H30 F16 N2 O2 S8P 42/n :219.8473; 19.8473; 13.1934
90; 90; 90
5197.08Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
Chemical science, 2022, 14, 70-77
1568078 CIFC49 H17 Cl3 F16 S8P -16.7916; 13.818; 15.064
78.57; 81.39; 82.79
1363.3Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
Chemical science, 2022, 14, 70-77
1568079 CIFC68 H36 F16 N4 S8P 1 21/c 15.89701; 32.2682; 16.4767
90; 95.0947; 90
3122.9Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
Chemical science, 2022, 14, 70-77
1568080 CIFC70 H108 Mg2 O6P 1 21/c 116.249; 10.644; 19.0878
90; 96.071; 90
3282.8Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki
Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.
Chemical science, 2023, 14, 566-572
1568081 CIFC47 H78 Na2 O6C 1 2/c 113.2993; 14.9598; 23.1561
90; 92.864; 90
4601.3Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki
Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.
Chemical science, 2023, 14, 566-572
1568084 CIFC68 H62 N4 O7 S2P -19.0104; 13.7067; 24.3591
84.789; 81.573; 89.49
2963.6Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.
Chemical science, 2023, 14, 323-330
1568085 CIFC35 H34.5 N2 O4.5 SP -19.561; 10.771; 32.42
89.714; 83.055; 76.393
3220Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.
Chemical science, 2023, 14, 323-330
1568086 CIFC32 H26 Au Cl N O2 PP -18.8587; 10.6137; 14.364
90.75; 90.402; 96.359
1342.1Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568087 CIFC33 H29 Au N O2 PP -18.686; 10.558; 15.503
80.834; 74.403; 89.873
1350.7Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568088 CIFC31 H32 Au O2 PP 1 21 113.325; 12.768; 16.802
90; 102.997; 90
2785.4Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568089 CIFC31 H22 Au F2 O3 PP 1 21/n 111.632; 11.016; 20.856
90; 100.801; 90
2625.1Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568090 CIFC37 H30 Au Cl N O4 PP 1 21/c 116.005; 12.135; 16.626
90; 99.248; 90
3187Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568091 CIFC32 H28 Au O3 PP 1 21 113.2107; 12.0368; 17.3384
90; 96.519; 90
2739.23Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568092 CIFC32 H25 Au Cl2 N O2 PP b c a11.146; 24.058; 42.262
90; 90; 90
11333Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568093 CIFC25 H20 Au O3 PP 1 21/n 113.545; 11.373; 27.757
90; 100.052; 90
4210.3Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan
The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.
Chemical science, 2023, 14, 557-565
1568094 CIFC9 H5 F N O6 ReP -17.1094; 8.1861; 9.3662
92.147; 94.856; 90.442
542.73Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568095 CIFC10 H8 N O7 ReP 1 21/c 111.9487; 6.8332; 16.0682
90; 108.801; 90
1241.93Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568096 CIFC20 H16 F6 N2 O15 Re2C 1 2/c 124.2151; 10.2839; 11.5557
90; 90.506; 90
2877.55Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568097 CIFC9 H5 Cl N O6 ReI 1 2/a 19.3367; 11.1259; 22.22
90; 99.672; 90
2275.39Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568098 CIFC9 H5 F N O6 ReP 1 21/c 110.0882; 19.6105; 12.6146
90; 112.846; 90
2299.83Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568099 CIFC9 H5 Cl N O6 ReP 1 21/c 18.2553; 7.1514; 19.0448
90; 92.838; 90
1122.97Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568100 CIFC10 H8 N O7 ReC 1 2/c 125.3206; 11.8306; 9.3609
90; 121.786; 90
2383.57Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568101 CIFC10 H8 N O6 ReI 1 2/a 19.2924; 11.1464; 22.2675
90; 100.09; 90
2270.73Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568102 CIFC20 H18 N2 O13 Re2I 1 2/a 122.7527; 10.614; 21.7337
90; 109.916; 90
4934.72Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568103 CIFC10 H10 N O7 ReC 1 2/c 124.6859; 11.4192; 9.1451
90; 97.31; 90
2556.99Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568104 CIFC9 H5 N2 O8 ReP 1 21/c 16.7986; 18.177; 9.6514
90; 94.971; 90
1188.22Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568105 CIFC9 H5 Cl N O6 ReP -16.3055; 9.8069; 10.5545
102.051; 100.494; 105.893
593.68Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568106 CIFC10 H5 F3 N O6 ReP -16.4225; 10.7862; 18.6703
83.339; 85.503; 79.429
1260.68Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568107 CIFC9 H9 N2 O7 ReC 1 2/c 124.23071; 11.28656; 8.98742
90; 98.0757; 90
2433.52Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720
1568108 CIFC18 H14 N2 O15 Re2P -19.8967; 10.5952; 12.8653
106.448; 105.596; 103.191
1176.62Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical science, 2023, 14, 711-720

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