Crystallography Open Database

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1572848 CIFC33 H48 N4 O2P 1 21/c 111.1953; 13.1685; 21.739
90; 99.457; 90
3161.3Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Chemical Science, 2024
1572849 CIFC17 H30 N4 O2P b c a11.4307; 11.4548; 28.925
90; 90; 90
3787.3Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Chemical Science, 2024
1572850 CIFC12 H22 N4P 1 21/c 111.0142; 10.0702; 12.5419
90; 110.769; 90
1300.69Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Chemical Science, 2024
1572851 CIFC40 H54 N4 O2P 1 21/c 112.6958; 17.2563; 18.327
90; 107.659; 90
3825.9Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Chemical Science, 2024
1572852 CIFC31 H46 N4 SiP 1 21/c 110.2595; 19.2221; 16.2971
90; 107.065; 90
3072.4Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Chemical Science, 2024
1572853 CIFC15 H30 N4 SiP -110.1752; 18.596; 19.949
105.886; 94.06; 91.388
3617.7Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
Chemical Science, 2024
1572858 CIFC4 H14 I6 N2 O Pb2P 1 21/m 16.3366; 16.1613; 10.1821
90; 93.579; 90
1040.69Wang, Wei; Liu, Cheng-Dong; Fan, Chang-Chun; Zhang, Wen
A Three-Dimensional Lead Iodide Perovskite Analog Featuring Hydrogen-bonded Dual Monovalent Cations
Chemical Science, 2024
1572859 CIFC16 H16 Cl N3 OP -15.2898; 7.8669; 17.559
99.161; 96.187; 90.692
716.87Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun
Dynamic organic crystal as exceptionally efficient artificial natural light-harvesting actuator
Chemical Science, 2024
1572860 CIFC16 H16 Cl N3 OP 1 21/c 114.9184; 12.9302; 7.6631
90; 96.635; 90
1468.3Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun
Dynamic organic crystal as exceptionally efficient artificial natural light-harvesting actuator
Chemical Science, 2024
1572861 CIFC156 H188I 41/a c d :221.398; 21.398; 53.967
90; 90; 90
24710Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin
Pentacosacyclenes: Cruciform Molecular Nanocarbons Based on Cyclooctatetraene
Chemical Science, 2024
1572862 CIFC242 H212 N4 O8P -116.846; 22.876; 25.515
69.3; 84.33; 76.83
8954Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin
Pentacosacyclenes: Cruciform Molecular Nanocarbons Based on Cyclooctatetraene
Chemical Science, 2024
1572863 CIFC470.4 H161.6P 65 2 237.776; 37.776; 37.012
90; 90; 120
45741Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin
Pentacosacyclenes: Cruciform Molecular Nanocarbons Based on Cyclooctatetraene
Chemical Science, 2024
1572864 CIFC44 H32 N2 O4 Sn2P 1 21/n 18.233; 8.661; 25.432
90; 96.086; 90
1803.2Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo
Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds
Chemical Science, 2024
1572865 CIFC44 H32 N2 O4 Sn2P -19.383; 12.3335; 16.264
80.34; 84.76; 82.51
1835Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo
Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds
Chemical Science, 2024
1572866 CIFC118 H180 Fe2 N4 O8 P4 Si4P -113.3341; 15.4736; 16.8028
89.148; 68.098; 69.912
2995.3Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.
Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls
Chemical Science, 2024
1572867 CIFC36 H61 N2 P Si2P 1 21/n 118.994; 11.672; 19.431
90; 118.39; 90
3789.7Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.
Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls
Chemical Science, 2024
1572868 CIFC90 H120 Mo N2 O5 P2 Si2P 21 21 2114.748; 18.855; 31.225
90; 90; 90
8682.8Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.
Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls
Chemical Science, 2024
1572869 CIFC90 H120 N2 O5 P2 Si2 WP 21 21 2114.772; 18.812; 31.181
90; 90; 90
8664.9Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.
Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls
Chemical Science, 2024
1572870 CIFC54 H61 Co N6 O25 S2 TbP -113.6097; 13.9046; 18.5959
68.205; 70.537; 81.543
3079.7Gupta, Rajeev; Gupta, Ruchika; Aashish, Aashish; Upma, Upma; Majumdar, Shubhangi; Chowdhury, Pramit Kumar
Visible Light Mediated Photocatalysis by Lanthanide Metal-Organic Frameworks: Enhanced Specificity and Mechanistic Insights
Chemical Science, 2024
1572871 CIFC51 H40 Co Eu N6 O17 SP -112.7608; 16.8135; 17.8856
64.977; 78.609; 87.398
3405.6Gupta, Rajeev; Gupta, Ruchika; Aashish, Aashish; Upma, Upma; Majumdar, Shubhangi; Chowdhury, Pramit Kumar
Visible Light Mediated Photocatalysis by Lanthanide Metal-Organic Frameworks: Enhanced Specificity and Mechanistic Insights
Chemical Science, 2024
1572872 CIFC168 H92 B3.5 F14 N12 Pd2P 1 21/c 125.58; 37.13; 38.88
90; 105.151; 90
35644Drechsler, Christoph; Baksi, Ananya; Platzek, André; Acar, Mert; Holstein, Julian J.; Stein, Christopher Johannes; Clever, Guido H.
London Dispersion driven Compaction of Coordination Cages in the Gas-phase – A combined Ion Mobility and Theoretical Study
Chemical Science, 2024
1572873 CIFC26 H28 OP 1 21 113.2149; 5.5084; 13.7281
90; 96.519; 90
992.85Xin, Shuang; Liao, Jibang; Tang, Qi; Feng, Xiaoming; Liu, Xiaohua
Photoinduced copper-catalyzed asymmetric cyanoalkylalkynylation of alkenes, terminal alkyne, and oximes
Chemical Science, 2024
1572874 CIFC24 H20 O4P 21 21 215.57076; 7.79768; 42.0452
90; 90; 90
1826.4Huang, Shisheng; Luo, Jilong; Chen, Ping; Chen, Jiean; Wang, Zhaofeng
Three-component modular synthesis of chiral 1,3-dioxoles via Rh-catalyzed carbenic olefination cascade
Chemical Science, 2024
1572875 CIFC6 H18 Cl4 Cu N2 O3 Si2F m m m10.2369; 20.4352; 33.981
90; 90; 90
7108.6Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A.
Leveraging Ordered Voids in Microporous Perovskites for Intercalation and Post-Synthetic Modification
Chemical Science, 2024
1572881 CIFC147.36 H170.13 Au25 N O S18P -117.0841; 20.5511; 26.5333
73.391; 72.258; 65.634
7943.6Suzuki, Wataru; Takahata, Ryo; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Xue, Songlin; Teranishi, Toshiharu
Quantitative analysis of air-oxidation reactions of thiolate-protected gold nanoclusters
Chemical Science, 2024
1572882 CIFC38 H22 N4 S4C 1 2/c 122.0664; 18.6023; 7.6331
90; 98.659; 90
3097.57Bezboruah, Jasmine; Khator, Kanha Ram; Gayen, Sayantan; Sanke, Devendra Mayurdhwaj; Mahapatra, Biplab; Sahoo, Anshuman; Nayak, Amlandeep; Reddy, Chilla Malla; Senanayak, Satyaprasad; Zade, Sanjio S.
Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of mechanical properties of the crystals on device durability
Chemical Science, 2024
1572883 CIFC21 H15 F NP -110.0731; 12.6282; 12.997
100.54; 105.121; 91.458
1564.45Yang, Xi; Chen, Jing-Ru; Zhang, Yang; Di, Yi-Ming; Zhang, Guozhen; Chen, Songhua; Chen, Hong-Ming; Lin, Mei-Jin
Hot Exciton Organic Glassy Scintillator for High-Resolution X-ray Imaging
Chemical Science, 2024
1572884 CIFC43 H34 Cl2 N2P -17.876; 10.166; 21.176
78.16; 85.41; 86.98
1653Yang, Xi; Chen, Jing-Ru; Zhang, Yang; Di, Yi-Ming; Zhang, Guozhen; Chen, Songhua; Chen, Hong-Ming; Lin, Mei-Jin
Hot Exciton Organic Glassy Scintillator for High-Resolution X-ray Imaging
Chemical Science, 2024
1572887 CIFC18 H18 SmP 1 21/n 17.383; 9.1133; 11.059
90; 98.63; 90
735.7Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572888 CIFC17 H17 YP n m a11.7622; 13.1214; 8.6532
90; 90; 90
1335.5Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572889 CIFC17 H17 PrP n m a12.0063; 12.8295; 8.8907
90; 90; 90
1369.48Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572890 CIFC17 H17 LaP n m a12.1385; 12.7452; 8.9543
90; 90; 90
1385.3Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572891 CIFC17 H17 YP 1 21/n 17.0169; 8.7585; 11.156
90; 101.791; 90
671.15Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572892 CIFC17 H17 GdP n m a11.8553; 13.0113; 8.7412
90; 90; 90
1348.36Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572893 CIFC17 H17 SmP n m a11.9982; 12.876; 8.7824
90; 90; 90
1356.78Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572894 CIFC17 H17 PrP n m a12.055; 12.777; 8.864
90; 90; 90
1365.3Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572895 CIFC17 H17 SmP n m a11.8943; 12.9414; 8.8036
90; 90; 90
1355.13Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572896 CIFC17.01 H17.01 CeP n m a12.0523; 12.8172; 8.9448
90; 90; 90
1381.8Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572897 CIFC17 H17 DyP n m a11.8081; 13.0574; 8.669
90; 90; 90
1336.6Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572898 CIFC17 H17 LaP n m a12.187; 12.736; 8.974
90; 90; 90
1392.9Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572899 CIFC17 H17 TbP n m a11.781; 13.017; 8.708
90; 90; 90
1335.4Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572900 CIFC17 H17 HoP n m a11.7641; 13.1227; 8.6544
90; 90; 90
1336Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572901 CIFC17 H17 NdP n m a12.0748; 12.8129; 8.8427
90; 90; 90
1368.1Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572902 CIFC17 H17 CeP n m a12.1258; 12.7752; 8.919
90; 90; 90
1381.6Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572903 CIFC17 H17 NdP n m a11.983; 12.877; 8.8927
90; 90; 90
1372.2Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572904 CIFC17 H17 GdP n m a11.9615; 12.9116; 8.7283
90; 90; 90
1348Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes
Chemical Science, 2024
1572905 CIFC160 H124 Er2 N17 Nd O21P -116.4316; 19.567; 23.352
108.849; 108.693; 92.157
6646.6Maniaki, Diamantoula; Sickinger, Annika; BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Aguilà, David; Roubeau, Olivier; Guyot, Yannick; Riobé, François; Maury, Olivier; Abad Galan, Laura; Aromi, Guillem
Energy exchange between Nd3+ and Er3+ centers within molecular complexes
Chemical Science, 2024
1572906 CIFC21 H29 N O5P -17.6082; 11.0116; 10.8744
89.49; 98.254; 89.986
901.57Kage, Mirai; Yamakoshi, Hiroyuki; Tabata, Manami; Ohashi, Eisaku; Noguchi, Kimihiro; Watanabe, Takeshi; Uchida, Manato; Takada, Minetatsu; Ikeuchi, Kazutada; Nakamura, Seiichi
Oxidative generation of isobenzofurans from phthalans: application to the formal synthesis of (±)-morphine
Chemical Science, 2024
1572907 CIFC7 H10 Cl N OP 1 21/m 16.2444; 9.2125; 6.7656
90; 94.855; 90
387.81Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Puttreddy, Rakesh R.; Rissanen, Kari
Dichlorine-Pyridine N-oxide Halogen-Bonded Complexes
Chemical Science, 2024
1572908 CIFC5 H6 Cl N OP 21 21 217.2301; 7.416; 11.002
90; 90; 90
589.9Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Puttreddy, Rakesh R.; Rissanen, Kari
Dichlorine-Pyridine N-oxide Halogen-Bonded Complexes
Chemical Science, 2024

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