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

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