Crystallography Open Database

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7132978 CIFC97 H203 Ag45 Nb6 O47 S23P b c a28.7435; 28.3372; 48.7703
90; 90; 90
39723.9Zhao, Zichen; Zhao, Mengyun; Deng, Lan; Li, Qing; Zhang, Jing; Su, Hai-Feng; Lv, Hongjin; Yang, Guo-Yu
Two structurally new Lindqvist hexaniobate-templated silver thiolate clusters
Chemical Communications, 2024
7132979 CIFC82 H210 Ag41 K Nb6 O42.5 S26.5P 42 21 232.1512; 32.1512; 17.6732
90; 90; 90
18268.8Zhao, Zichen; Zhao, Mengyun; Deng, Lan; Li, Qing; Zhang, Jing; Su, Hai-Feng; Lv, Hongjin; Yang, Guo-Yu
Two structurally new Lindqvist hexaniobate-templated silver thiolate clusters
Chemical Communications, 2024
7132980 CIFC32 H72 Cu2 I4 P2P -112.4248; 12.9746; 16.828
86.253; 75.221; 64.491
2364.3Delafoulhouze, Jérémy; Cordier, Marie; Mevellec, Jean-Yves; Massuyeau, Florian; Hernandez, Olivier; Latouche, Camille; Perruchas, Sandrine
Mechanoresponsive luminescence triggered by phase transition of a supercooled copper(I) complex.
Chemical communications (Cambridge, England), 2024
7132981 CIFC8 H3 O5 TiI 41 2 215.1203; 15.1203; 11.9863
90; 90; 90
2740.35Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; crawshaw, danielle; Guo, Lixia; Ma, Yujie; kippax-jones, meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudic, Svemir; Frogley, Mark David; Schroder, Martin; Yang, Sihai
High adsorption of ammonia in a titanium–based metal-organic framework
Chemical Communications, 2024
7132982 CIFC8 H3 D1.25 N0.42 O5 TiI 41 2 215.0507; 15.0507; 12.0595
90; 90; 90
2731.8Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; crawshaw, danielle; Guo, Lixia; Ma, Yujie; kippax-jones, meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudic, Svemir; Frogley, Mark David; Schroder, Martin; Yang, Sihai
High adsorption of ammonia in a titanium–based metal-organic framework
Chemical Communications, 2024
7132983 CIFC8 H3 D3.82 N1.27 O5 TiI 41 2 214.92; 14.92; 12.1536
90; 90; 90
2705.47Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; crawshaw, danielle; Guo, Lixia; Ma, Yujie; kippax-jones, meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudic, Svemir; Frogley, Mark David; Schroder, Martin; Yang, Sihai
High adsorption of ammonia in a titanium–based metal-organic framework
Chemical Communications, 2024
7132984 CIFC36 H32 N2 O11 Pb2P 1 21/n 116.46; 11.3441; 19.5207
90; 94.325; 90
3634.6Luo, Qi; Li, yuxia; Huang, Xin; Zheng, Yi; Wang, Shuaihua; Gu, Qi; Wu, Shao-Fan
Tetraphenylene-based semiconductive metal–organic framework crystals for direct X-ray detection and imaging
Chemical Communications, 2024
7132985 CIFC19 H15 Cl2 N O3P 1 21/c 116.1234; 11.9822; 8.9939
90; 94.945; 90
1731.1Harsha, Harsha; Kumar, Rohit; Jain, Nidhi
1O2 mediated synthesis of carbonyl substituted quinoline-2,4(1H,3H)-diones in visible light: 4CzIPN as a reusable photocatalyst
Chemical Communications, 2024
7132986 CIFC148 H188 F12 Fe2 N18 O28 S4P 1 21/m 116.4651; 23.3184; 17.2067
90; 97.467; 90
6550.3Mobili, Riccardo; Preda, Giovanni; Dondi, Daniele; Monzani, Enrico; Vadivel, Dhanalakshmi; Massera, Chiara; Pasini, Dario; Amendola, Valeria
Triptycene-based diiron(II) mesocate: spin-crossover in solution
Chemical Communications, 2024
7132987 CIFC246 H340 F12 N34 O33 P2P -121.5297; 24.7451; 29.6954
109.868; 104.145; 101.331
13733.1Huang, Song; Wang, Zhenwen; Wu, Jinyang; Mai, Xinyan; Qin, Song; Zhou, Yuqiao; Yuan, Daqiang; Li, Xiaowei; Feng, Wen; Yuan, Lihua
A molecular sheaf: doubly threaded [6]rotaxane
Chemical Communications, 2024
7132988 CIFC16 H24 Au B3 F12 N8C 1 2/c 115.3073; 15.711; 22.0225
90; 99.885; 90
5217.63Barwise, Lachlan; Moon, Lachlan; Dhakal, Bibidh; Hogan, Conor Francis; White, Keith Forrest; Dutton, Jason Laurence
An extremely electron poor Au(III) trication bearing acetonitrile ligands
Chemical Communications, 2024
7132989 CIFC21 H29 Au B2 F8 N6P 1 21 19.4083; 19.422; 15.7483
90; 103.473; 90
2798.46Barwise, Lachlan; Moon, Lachlan; Dhakal, Bibidh; Hogan, Conor Francis; White, Keith Forrest; Dutton, Jason Laurence
An extremely electron poor Au(III) trication bearing acetonitrile ligands
Chemical Communications, 2024
7132990 CIFC198 H251 N6 O46P 1 21/n 122.4005; 26.9673; 32.2242
90; 90.916; 90
19463.5Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132991 CIFC152.46 H189.38 N6 O23.23 S13.23P -121.1953; 26.1285; 31.3285
73.564; 72.242; 68.045
15042Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132992 CIFC190 H208 N6 O58C 1 2/c 139.4383; 27.5839; 35.2015
90; 109.998; 90
35985.4Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132993 CIFC174 H256 N6 O34 S24P 63 2 219.9064; 19.9064; 33.451
90; 90; 120
11479.6Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132994 CIFC138 H148 N6 O16 S6P -121.6989; 27.1612; 27.6258
94.1928; 111.564; 109.903
13867Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132995 CIFC342 H393 N12 O80.01P -121.4803; 27.0745; 29.3858
94.133; 108.263; 112.968
14568.6Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132996 CIFC154.5 H176.5 N15.5 O19.5P -121.6013; 27.1502; 28.3933
93.864; 111.256; 110.441
14178.7Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132997 CIFC132 H130 N6 O13 S3I 1 2 151.7627; 21.7575; 57.0058
90; 90.443; 90
64199.5Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz
Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation
Chemical Communications, 2024
7132998 CIFC17 H10 F5 N3P 1 21/c 114.4065; 6.1767; 17.7705
90; 109.917; 90
1486.72Das, Animesh; Maji, Biplab
Substrate-controlled divergent remote C-H and N-H polyfluoroarylation of 2-aminopyrimidines with polyfluoroarenes via Pd(II)/Pd(0) catalysis
Chemical Communications, 2024
7132999 CIFC15 H14 F5 N3P 1 21/c 112.4951; 7.6806; 16.1712
90; 108.511; 90
1471.65Das, Animesh; Maji, Biplab
Substrate-controlled divergent remote C-H and N-H polyfluoroarylation of 2-aminopyrimidines with polyfluoroarenes via Pd(II)/Pd(0) catalysis
Chemical Communications, 2024
7133000 CIFC20 H20 Cl4 N4 NpC 1 2/c 119.2449; 9.5303; 15.6081
90; 127.522; 90
2270.4Lopez, Lauren Marie; Uible, Madeleine; Bart, Suzanne Cathleen; Zeller, Matthias
Lewis Base Adducts of NpCl4
Chemical Communications, 2024
7133001 CIFC8 H12 Cl4 N4 NpC 1 2/c 114.6308; 8.4327; 13.7095
90; 91.687; 90
1690.71Lopez, Lauren Marie; Uible, Madeleine; Bart, Suzanne Cathleen; Zeller, Matthias
Lewis Base Adducts of NpCl4
Chemical Communications, 2024
7133002 CIFC36 H30 Cl4 Np O2 P2P 1 21 19.9552; 15.3552; 11.9194
90; 98.955; 90
1799.84Lopez, Lauren Marie; Uible, Madeleine; Bart, Suzanne Cathleen; Zeller, Matthias
Lewis Base Adducts of NpCl4
Chemical Communications, 2024
7133003 CIFC45.76 H67.53 Cl4 N4 Np O2.44P 1 21/n 116.6555; 11.535; 25.751
90; 94.5345; 90
4931.8Lopez, Lauren Marie; Uible, Madeleine; Bart, Suzanne Cathleen; Zeller, Matthias
Lewis Base Adducts of NpCl4
Chemical Communications, 2024
7133004 CIFC18 H20 O3C 1 2/c 133.38; 5.972; 18.656
90; 119.978; 90
3221Kumar, Rakesh; Dutt, Shiv; Banerjee, Prabal
Electrochemical oxidative C-C bond cleavage of methylenecyclopropanes with alcohols.
Chemical communications (Cambridge, England), 2024, 60, 4246-4249
7133005 CIFC23 H22 N2 OP c a 2110.0123; 18.3467; 10.107
90; 90; 90
1856.58Kumar, Dharmendra; Unnikrishnan, Urmila; Kuram, Malleswara Rao
Facile access to C-substituted piperazin-2-ones and mianserin derivative enabled by chemoselective carbene insertion and cyclization cascade
Chemical Communications, 2024
7133006 CIFC9 H19 F3 N2 O4 S2P 1 21/c 19.52; 8.588; 18.645
90; 99.465; 90
1503.6Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
Solvent-free Transformation of Protic Ionic Liquids into Zwitterions
Chemical Communications, 2024
7133007 CIFC9 H17 F3 N2 O4 S2P 1 21/c 18.664; 9.443; 17.044
90; 95.637; 90
1387.7Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
Solvent-free Transformation of Protic Ionic Liquids into Zwitterions
Chemical Communications, 2024
7133008 CIFC10 H16 F3 N3 O4 S2P -19.869; 17.149; 18.682
93.615; 92.206; 94.036
3145Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki
Solvent-free Transformation of Protic Ionic Liquids into Zwitterions
Chemical Communications, 2024
7133009 CIFC45 H36 O9P b c m16.1779; 7.77835; 27.1947
90; 90; 90
3422.11Han, Ying; Guo, Wei-Chen; Du, Xu-Sheng; Chen, Chuan-Feng
Synthesis and property of an O-doped aromatic belt
Chemical Communications, 2024
7133010 CIFC39 H18 O3P 1 21/n 111.4275; 15.9886; 16.0325
90; 97.391; 90
2904.96Han, Ying; Guo, Wei-Chen; Du, Xu-Sheng; Chen, Chuan-Feng
Synthesis and property of an O-doped aromatic belt
Chemical Communications, 2024
7133011 CIFC58 H41 N3P 21 21 2112.7061; 14.0855; 23.6488
90; 90; 90
4232.5Sharma, Priyank Kumar; Jana, Palash; Bandyopadhyay, Subhajit; Das, Soumyajit
Cyano disubstituted tetrabenzoindeno[2,1-a]fluorene: open-shell or closed-shell?
Chemical Communications, 2024
7133012 CIFC27 H42 N4 O5 SiP 1 21/c 112.838; 15.169; 15.0877
90; 102.909; 90
2863.91Jeanmard, Laksamee; Lodovici, Giacomo; George, Ian; Bray, Joshua T. W.; Whitwood, Adrian Charles; Thomas, Gavin; Fairlamb, Ian J. S.; Unsworth, William Paul; Clarke, Paul
Stereoselective synthesis of an advanced trans-decalin intermediate towards the total synthesis of anthracimycin
Chemical Communications, 2024
7133013 CIFC17 H22 O5P 21 21 217.18006; 12.9367; 17.2317
90; 90; 90
1600.59Jeanmard, Laksamee; Lodovici, Giacomo; George, Ian; Bray, Joshua T. W.; Whitwood, Adrian Charles; Thomas, Gavin; Fairlamb, Ian J. S.; Unsworth, William Paul; Clarke, Paul
Stereoselective synthesis of an advanced trans-decalin intermediate towards the total synthesis of anthracimycin
Chemical Communications, 2024
7133014 CIFC94 H150 Mg N4 Ni2 O8P -110.3314; 12.155; 20.115
85.509; 76.039; 68.417
2279.4Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
Chemical Communications, 2024
7133015 CIFC67 H100 Mg N4 Ni O4P -111.7869; 13.1585; 21.6061
95.572; 101.159; 101.843
3184.9Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
Chemical Communications, 2024
7133016 CIFC86 H133 Ca N5 Ni2 O12P -113.1189; 18.636; 19.149
81.507; 86.676; 74.077
4451.9Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
Chemical Communications, 2024
7133017 CIFC96 H158 Mg N4 Ni2 O8P 1 21/c 128.041; 14.697; 24.348
90; 104.01; 90
9736Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
Chemical Communications, 2024
7133018 CIFC92 H150 Ca N4 Ni2 O12P 1 n 116.7438; 14.268; 20.0197
90; 97.276; 90
4744.2Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
Chemical Communications, 2024
7133019 CIFC18 H14 Cl N OP 1 21/c 17.8569; 16.8285; 11.212
90; 104.254; 90
1436.81., Sachin; Sharma, Tamanna; Chandra, Devesh; ., Sumit; Sharma, Upendra
Inherent directing group enabled Co(III)-catalyzed C-H allylation/vinylation of isoquinolones
Chemical Communications, 2024
7133020 CIFC62 H47 Cl3 N6 O10 P2 Ru2P 1 21/c 119.7908; 15.1911; 23.1446
90; 107.604; 90
6632.4Arya, Yogita; Ansari, Toufik; Bera, Sudip; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar
Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on carbon cloth support
Chemical Communications, 2024
7133021 CIFC24 H12 Br4 N6I 1 2/a 111.9288; 6.8445; 27.4989
90; 90.376; 90
2245.15Arya, Yogita; Ansari, Toufik; Bera, Sudip; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar
Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on carbon cloth support
Chemical Communications, 2024
7133022 CIFC56 H41 Br3 Cl4 N4 O6 P2 RuP 1 21/c 118.3915; 14.4654; 20.9301
90; 100.804; 90
5469.55Arya, Yogita; Ansari, Toufik; Bera, Sudip; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar
Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on carbon cloth support
Chemical Communications, 2024
7133023 CIFC58 H49 Cl N4 O6 P2 RuP -115.601; 21.105; 22.1703
110.152; 101.134; 99.661
6502.66Arya, Yogita; Ansari, Toufik; Bera, Sudip; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar
Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on carbon cloth support
Chemical Communications, 2024
7133024 CIFC40 H46 Cd N0.5 O17.5 S4P 1 21/n 110.722; 39.433; 14.317
90; 97; 90
6008Su, Jian; Han, Xiao; Ke, Si-Wen; Zhou, Xiaocheng; Yuan, Shuai; Ding, Mengning; Zuo, Jing-Lin
Construction of a stable radical hydrogen−bonded metal−organic framework by functionalized tetrathiafulvalene linkers
Chemical Communications, 2024
7133025 CIFC43 H59 B N4 SiP -19.474; 13.9943; 16.2737
90.635; 90.829; 106.097
2072.54Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di
Synthetic, Structural and Reactivity Studies of Boryl-Ethynyl Silylene
Chemical Communications, 2024
7133026 CIFC57 H67 B N4 O2 SiP 1 21/n 112.9587; 24.1745; 16.8361
90; 103.559; 90
5127.2Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di
Synthetic, Structural and Reactivity Studies of Boryl-Ethynyl Silylene
Chemical Communications, 2024
7133027 CIFC69 H75 B N4 O2 SiC 1 c 111.765; 23.8074; 23.7692
90; 97.721; 90
6597.3Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di
Synthetic, Structural and Reactivity Studies of Boryl-Ethynyl Silylene
Chemical Communications, 2024

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