Crystallography Open Database

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1571619 CIFC35 H51 B10 N2 TaP 1 21/c 111.5786; 12.9866; 26.895
90; 97.57; 90
4008.9Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei
Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.
Chemical science, 2024, 15, 7943-7948
1571620 CIFC41.5 H53 B10 N2 TaP 1 21/n 19.3519; 17.5941; 28.9963
90; 98.843; 90
4714.3Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei
Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.
Chemical science, 2024, 15, 7943-7948
1571621 CIFC64 H36 Au4 Fe2 N16 O2P b c a15.3128; 28.0479; 28.7796
90; 90; 90
12360.6Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571622 CIFC64 H36 Au4 N16 O2 Zn2P b c a15.3837; 27.856; 28.739
90; 90; 90
12315.5Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571623 CIFC64 H36 Au4 Fe2 N16 O2P b c a27.6016; 28.7074; 15.346
90; 90; 90
12159.7Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571624 CIFC128 H72 Au8 Fe4 N32 O4P 21 21 2115.2903; 27.605; 28.6786
90; 90; 90
12104.9Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571625 CIFC128 H72 Au8 Fe4 N32 O4P 21 21 2115.0208; 27.2962; 28.37
90; 90; 90
11632Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571626 CIFC64 H36 Au4 N16 O2 Zn2P b c a15.40415; 27.6501; 28.6347
90; 90; 90
12196.3Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571627 CIFC64 H36 Au4 N16 O2 Zn2P b c a15.40179; 27.7406; 28.6941
90; 90; 90
12259.7Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571628 CIFC128 H72 Au8 Fe4 N32 O4P 21 21 2115.0987; 27.5674; 28.487
90; 90; 90
11857.2Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571629 CIFC64 H36 Au4 N16 O2 Zn2P b c a15.40483; 27.6851; 28.6645
90; 90; 90
12225Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571630 CIFC64 H36 Au4 N16 O2 Zn2P b c a15.4294; 27.7081; 28.7128
90; 90; 90
12275.3Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Chemical science, 2024, 15, 9240-9248
1571631 CIFC17 H21 N O3 SP 1 21/c 110.3144; 12.2204; 13.0932
90; 92.946; 90
1648.17Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin
Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.
Chemical science, 2024, 15, 9192-9200
1571632 CIFC20 H22 Cl N O3 S2P 1 21/c 119.7752; 9.1254; 11.5285
90; 96.477; 90
2067.12Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin
Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.
Chemical science, 2024, 15, 9192-9200
1571633 CIFC33 H24 B NP 1 21/n 18.6934; 21.4946; 12.5425
90; 94.276; 90
2337.18Qin, Xiaoli; Huang, Lin; Zhan, Ziying; Fu, Peng; Wang, Qing; Zhang, Congyang; Huang, Jianhui; Ding, Zhifeng
Enhancing corannulene chemiluminescence, electrochemiluminescence and photoluminescence by means of an azabora-helicene to slow down its bowl inversion.
Chemical science, 2024, 15, 9657-9668
1571634 CIFC30 H24 F N O3 SP 21 21 217.4071; 15.896; 21.0437
90; 90; 90
2477.75Ewing, Paul M. D. A.; Majhi, Pankaj Kumar; Prentice, Callum; Young, Claire M.; van Rees, Karlotta; Arnold, Polly L.; Zysman-Colman, Eli; Smith, Andrew D.
α-Phenylthioaldehydes for the effective generation of acyl azolium and azolium enolate intermediates.
Chemical science, 2024, 15, 9369-9375
1571636 CIFC30 H28 O6P -19.5504; 9.6216; 14.9202
76.429; 78.195; 70.242
1242.47Samadder, Prodipta; Naim, Khalid; Sahoo, Subash Chandra; Neelakandan, Prakash P.
Surface coating induced room-temperature phosphorescence in flexible organic single crystals.
Chemical science, 2024, 15, 9258-9265
1571637 CIFC42.75 H34P 1 21/c 120.709; 14.9107; 22.817
90; 107.434; 90
6721.9Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571638 CIFC65 H78C 1 2/c 120.644; 13.3024; 21.865
90; 111.818; 90
5574.3Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571639 CIFC47 H38P -110.6181; 10.9815; 16.4791
100.65; 106.059; 91.5785
1808.41Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571640 CIFC47 H42P -111.2444; 11.592; 15.4587
88.4787; 85.8921; 62.0337
1775.04Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571641 CIFC65.25 H74.5 Cl0.5P -112.2669; 12.7915; 18.0256
106.574; 99.595; 90.608
2667.9Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571642 CIFC41 H28P -19.6243; 11.6276; 13.5153
90.8439; 106.956; 109.296
1355.07Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571643 CIFC47 H42P -113.3948; 14.7194; 20.6475
100.057; 93.842; 115.215
3580.5Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571644 CIFC47 H42 O6P 1 21/n 110.9046; 14.0514; 24.7528
90; 94.09; 90
3783.1Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571645 CIFC41 H29 FP -110.256; 20.262; 29.739
94.02; 93.18; 103.46
5979Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Chemical science, 2024, 15, 9127-9137
1571646 CIFB180 Ba12 K84 O360 Sc24R 3 2 :H13.0897; 13.0897; 60.7234
90; 90; 120
9010.4Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang
A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.
Chemical science, 2024, 15, 8959-8965
1571647 CIFB45 Ba0 O90 Rb21 Sc5.2 Sr3.8R 3 2 :H13.367; 13.367; 14.906
90; 90; 120
2306.5Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang
A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.
Chemical science, 2024, 15, 8959-8965
1571648 CIFC38 H26 F0.05 N6 P0.05 RuP 1 21/n 115.17387; 18.69703; 16.12642
90; 98.0083; 90
4530.55Prieto Otoya, Tayler D.; McQuaid, Kane T.; Paterson, Neil G.; Cardin, David J.; Kellett, Andrew; Cardin, Christine J.
Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch.
Chemical science, 2024, 15, 9096-9103
1571649 CIFC108 H72 Au25 F18 S18C 1 2/c 129.6682; 17.7115; 34.7181
90; 114.038; 90
16661.1Gratious, Saniya; Afreen, ?; Mahal, Eti; Thomas, Jibin; Saha, Shubhadeep; Nair, Akhil S.; Adarsh, K. V.; Pathak, Biswarup; Mandal, Sukhendu
"Visualizing" the partially reversible conversion of gold nanoclusters <i>via</i> the Au<sub>23</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>17</sub> intermediate.
Chemical science, 2024, 15, 9823-9829
1571650 CIFC70 H134 Cl4 Mo9 N9 O31 PP b c a18.9192; 25.1964; 43.0574
90; 90; 90
20525.3Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.
Chemical science, 2024, 15, 9281-9286
1571651 CIFC92 H154 Cl8 Mo18 N15 O62 P2P 1 21/n 127.1448; 27.3825; 29.9056
90; 100.611; 90
21848.5Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.
Chemical science, 2024, 15, 9281-9286
1571652 CIFC60 H48 Mo36 N24 O124 P4I 41/a :239.2789; 39.2789; 32.7662
90; 90; 90
50552.7Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.
Chemical science, 2024, 15, 9281-9286
1571653 CIFC120 H215 Cl4 Mo18 N32 O62 P2P -118.2063; 23.9584; 27.3167
85.3618; 74.6634; 87.3652
11449.7Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.
Chemical science, 2024, 15, 9281-9286
1571654 CIFC48 H62 N2 O10 S2P 1 21 118.8686; 5.4367; 22.9849
90; 94.932; 90
2349.13Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang
Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence
Chemical Science, 2024, 15, 10135-10145
1571655 CIFC24 H31 N O5 SP 1 21 112.6662; 5.6008; 36.635
90; 116.175; 90
2332.4Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang
Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence
Chemical Science, 2024, 15, 10135-10145
1571656 CIFC22 H41 B20 N2 Rh S2P 1 21/c 119.052; 13.3058; 13.995
90; 99.388; 90
3500.2Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571657 CIFC23 H42 B20 F3 Ir N2 O3 S3P -111.6139; 13.1923; 13.5261
98.948; 101.424; 91.727
2002.63Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571658 CIFC27 H52 B20 N5 Rh S2P -112.1157; 13.1515; 15.8884
102.935; 95.742; 111.659
2246.1Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571659 CIFC17.6 H32.8 B16 Ir0.8 N1.6 S1.6P 1 21/c 119.1073; 13.3046; 13.9712
90; 99.297; 90
3505.03Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571660 CIFC23 H42 B20 F3 N2 O3 Rh S3P -111.6103; 13.1824; 13.5411
99.204; 101.43; 91.527
2001.6Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571661 CIFC12 H28 B20 N2 S2C 1 2/c 131.1627; 12.4318; 14.5172
90; 107.595; 90
5361Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571662 CIFC17 H43 B30 Cl4 N3 S3P b c a10.9098; 25.502; 31.388
90; 90; 90
8732.8Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571663 CIFC90 H158 B60 Ir6 N6 S6P -117.6388; 18.5304; 24.0367
91.778; 91.812; 103.901
7616.5Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin
Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.
Chemical science, 2024, 15, 9274-9280
1571664 CIFC24 H18 Cu3 N10 O2I -4 3 d28.8469; 28.8469; 28.8469
90; 90; 90
24004.8Wu, Ying; Liang, Gang; Li, Wen-Bin; Zhong, Xiao-Feng; Zhang, Yang-Yang; Ye, Jia-Wen; Yang, Tao; Mo, Zong-Wen; Chen, Xiao-Ming
Boosting the degradation of antibiotics <i>via</i> peroxymonosulfate activation with a Cu-based metal-organic framework.
Chemical science, 2024, 15, 9733-9741
1571665 CIFC15 H22 O3P 1 21 16.3691; 12.0175; 9.083
90; 108.989; 90
657.39Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi
β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.
Chemical science, 2024, 15, 8750-8755
1571666 CIFC15 H22 O3P 21 21 216.4548; 17.2854; 12.2879
90; 90; 90
1371.01Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi
β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.
Chemical science, 2024, 15, 8750-8755
1571667 CIFMo N4 Zn3P m n 216.549; 5.673; 5.3115
90; 90; 90
197.34Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Chemical science, 2024, 15, 9709-9718
1571668 CIFN8 W1.66 Zn6.34P m n 216.5602; 5.6813; 5.3235
90; 90; 90
198.41Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Chemical science, 2024, 15, 9709-9718
1571669 CIFC23 H23 N O3 SP 21 21 2110.9922; 11.1557; 16.1415
90; 90; 90
1979.36Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming
Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.
Chemical science, 2024, 15, 9703-9708

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