Crystallography Open Database
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Result: there are 1634 entries in the selection
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Searching journal of publication like 'Chemical Science' volume of publication is 14
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1567970 | CIF | C38 H24 N4 O V | P 1 21/c 1 | 18.9568; 8.083; 19.9282 90; 114.25; 90 | 2784.1 | Ranieri, 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 | CIF | C19 H11.5 N2 O0.5 V0.5 | C c c 2 | 20.8648; 27.1717; 11.4881 90; 90; 90 | 6513 | Ranieri, 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 | CIF | C97 H46 N8 O2 V2 | C 1 2/c 1 | 29.2955; 11.3883; 22.5512 90; 96.942; 90 | 7468.5 | Ranieri, 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 | CIF | C42 H42 Cl6 Fe6 N6 O38 Pd3 | P m -3 n | 22.1165; 22.1165; 22.1165 90; 90; 90 | 10818.1 | Miguel-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 | CIF | C2 H2 I2 O4 Pb Rb2 | A m m 2 | 6.0662; 6.7946; 13.7817 90; 90; 90 | 568.046 | Zhang, 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 | CIF | C2 H2 I2 K2 O4 Pb | A m m 2 | 5.8024; 6.774; 13.626 90; 90; 90 | 535.58 | Zhang, 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 | CIF | C20 H30 Cu3 N6 Na O4 S6 | C m c e | 19.568; 10.61; 30.314 90; 90; 90 | 6294 | Larsen, 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 | CIF | C18 H22 N2 Ni O4 Pd S4 | C 1 2/c 1 | 9.7142; 18.2617; 13.1518 90; 97.378; 90 | 2313.8 | Larsen, 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 | CIF | C18 H22 Co N2 O4 Pd S4 | C 1 2/c 1 | 9.7593; 18.2739; 13.1854 90; 97.317; 90 | 2332.3 | Larsen, 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 | CIF | C13 H16 N2 Ni O6 Pt S4 | P 1 21/c 1 | 8.4782; 12.2733; 19.6523 90; 93.668; 90 | 2040.74 | Larsen, 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 | CIF | C13 H16 Co N2 O6 Pt S4 | P 1 21/c 1 | 8.4707; 12.2809; 19.82 90; 93.914; 90 | 2057 | Larsen, 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 | CIF | C13 H16 Co N2 O6 Pd S4 | P 1 21/c 1 | 8.4637; 12.3085; 19.8273 90; 93.171; 90 | 2062.36 | Larsen, 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 | CIF | C37 H27 O2 P | P -1 | 10.4208; 10.7638; 11.9994 99.167; 94.905; 94.346 | 1318.41 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568006 | CIF | C38 H29 B F4.03 N P | P 1 21/c 1 | 9.0075; 15.4256; 20.8849 90; 93.52; 90 | 2896.4 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568007 | CIF | C39 H31 Au B Cl3 F4 N P | P -1 | 10.796; 12.644; 12.984 86.86; 86.71; 79.67 | 1739 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568008 | CIF | C34 H25 Au Cl F3 N O4 P S | P -1 | 8.73; 13.2735; 14.5419 80.962; 75.294; 80.841 | 1597.04 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568009 | CIF | C37 H26 B F4 O P | P -1 | 8.0558; 13.0237; 13.3743 89.998; 86.084; 84.721 | 1393.94 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568010 | CIF | C36 H26 Au B Cl O P | P -1 | 10.4379; 12.0326; 12.5622 79.075; 70.549; 74.216 | 1423.07 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568011 | CIF | C77 H56 Au2 Cl4 F6 O9 P2 S2 | C 1 2/c 1 | 31.863; 9.1593; 25.398 90; 113.066; 90 | 6819.6 | Liu, Wei-Chun; Gabbaï, François P. Placing gold on a π±surface: ligand design and impact on reactivity Chemical Science, 2023, 14, 277-283 |
1568013 | CIF | C54 H46 Cl7 P2 Re | P -1 | 10.939; 13.109; 18.4122 85.943; 80.643; 72.033 | 2477.5 | Bai, 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 | CIF | C32 H36 Cl3 P2 Re | C 1 2/c 1 | 11.082; 18.4374; 15.6667 90; 107.276; 90 | 3056.66 | Bai, 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 | CIF | C42 H38 Cl3 P2 Re | P n a 21 | 23.4928; 11.58031; 13.76598 90; 90; 90 | 3745.09 | Bai, 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 | CIF | C22.31 H21.62 Cl0.62 N3 O2 | P 21 21 21 | 14.6467; 14.7349; 18.2076 90; 90; 90 | 3929.5 | Luo, 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 | CIF | C120 H96 Cu6 F36 N32 Si6 | P m -3 n | 17.5318; 17.5318; 17.5318 90; 90; 90 | 5388.64 | Jiang, 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 | CIF | C32 H32 Cu F6 N5.33 Si | P m -3 n | 17.5254; 17.5254; 17.5254 90; 90; 90 | 5382.7 | Jiang, 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 | CIF | C29 H34 Cu F6 N5.33 Si | P m -3 n | 17.4998; 17.4998; 17.4998 90; 90; 90 | 5359.2 | Jiang, 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 | CIF | C20 H16 Cu F6 N5.33 Si | P m -3 n | 17.5051; 17.5051; 17.5051 90; 90; 90 | 5364.06 | Jiang, 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 | CIF | C59 H51 N5 O4 | P 1 21/c 1 | 21.815; 24.526; 8.429 90; 95.275; 90 | 4490.7 | Tian, 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 | CIF | C60 H52 N4 O4 | P 1 | 8.3457; 9.3455; 17.6411 95.16; 99.293; 115.715 | 1203.41 | Tian, 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 | CIF | C36 H28 N2 O2 | P 1 21/n 1 | 8.2004; 31.668; 10.204 90; 99.25; 90 | 2615.4 | Tian, 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 | CIF | C60 H52 N4 O4 | P -1 | 16.7768; 17.5515; 17.6585 104.872; 90.047; 109.465 | 4717 | Tian, 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 | CIF | C79 H65 N3 O4 | P -1 | 8.202; 14.428; 24.669 90.012; 85.889; 90.023 | 2912 | Tian, 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 | CIF | C61 H53 N3 O4 | P -1 | 16.958; 17.1701; 17.8837 104.311; 109.776; 90.172 | 4726.6 | Tian, 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 | CIF | C84 H80 F6 N4 O4 P5 Re2 | C 1 2/c 1 | 29.0838; 16.4902; 38.9836 90; 94.942; 90 | 18626.9 | Takahashi, 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 | CIF | C168 H160 N8 O48 P8 Re4 Si W12 | P -1 | 18.8254; 23.1045; 33.0343 101.307; 101.064; 112.648 | 12422.4 | Takahashi, 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 | CIF | C17 H16 B Br F4 N4 O | P 21 21 21 | 9.7229; 11.8712; 15.4592 90; 90; 90 | 1784.3 | Duan, 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 | CIF | C44 H68 Br6 Mn5 O22 | P -1 | 10.965; 11.6978; 13.6443 111.74; 101.903; 90.098 | 1584.79 | Antico, 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 | CIF | C13 H22 O2 Si | P b c a | 8.0671; 15.0932; 22.4852 90; 90; 90 | 2737.76 | Antico, 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 | CIF | C16 H22 O3 Si2 | P 1 21/n 1 | 12.9559; 10.4977; 28.982 90; 95.735; 90 | 3922 | Antico, 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 | CIF | C156 H133.5 Cl4.5 F6 N13 O9 | P -1 | 15.6935; 17.9065; 25.3093 102.029; 94.298; 105.192 | 6649.5 | Mirabella, 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 | CIF | C16 H14 O3 S | P 21 21 21 | 7.6531; 10.1518; 18.1461 90; 90; 90 | 1409.82 | Kong, 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 | CIF | C16 H14 O2 S | P 21 21 21 | 7.6856; 10.0965; 18.0404 90; 90; 90 | 1399.89 | Kong, 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 | CIF | C15 H12 B3 N3 O3 | P m m n :2 | 11.4709; 9.6054; 10.811 90; 90; 90 | 1191.2 | Wang, 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 | CIF | C51 H58 O5 | P 1 | 10.6821; 12.0842; 17.057 93.142; 105.229; 97.685 | 2096.06 | Zhang, 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 | CIF | C51 H56 O5 | P -1 | 9.359; 12.7052; 18.7749 80.266; 79.829; 76.85 | 2120.34 | Zhang, 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 | CIF | C22 H42 Cl2 Hf Si4 | P b c n | 17.8746; 9.0854; 18.3865 90; 90; 90 | 2985.9 | Gransbury, 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 | CIF | C44 H84 I2 Nd2 Si8 | P -1 | 10.7367; 11.5169; 13.3589 73.257; 83.329; 78.423 | 1546.66 | Gransbury, 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 | CIF | C31 H69 Si8 Ti | C 1 c 1 | 10.2297; 23.3116; 18.6778 90; 101.213; 90 | 4369.08 | Gransbury, 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 | CIF | C31 H69 La Si8 | P 1 21/n 1 | 17.9162; 13.3218; 20.3331 90; 111.465; 90 | 4516.4 | Gransbury, 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 | CIF | C44 H84 I2 Si8 U2 | P -1 | 10.6833; 11.4914; 13.2297 73.117; 83.273; 78.875 | 1521.72 | Gransbury, 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 |
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