Crystallography Open Database

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1008882 CIFNa O3I m 2 m3.507; 5.7703; 5.2701
90; 90; 90
106.6Klein, W; Armbruster, K; Jansen, M
Synthesis and crystal structure determination of sodium ozonide
Chemical Communications, 1998, 1998, 707-708
1501471 CIFC45 H35 Cd Cl N4 O7P 1 21/n 111.4616; 16.3861; 20.877
90; 95.0205; 90
3905.89Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau
Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes
Chemical Communications, 2011, 47, 10431-10433
1501472 CIFC45 H35 Cl Hg N4 O7P 1 21/n 111.4117; 16.3761; 20.9794
90; 95.007; 90
3905.65Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau
Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes
Chemical Communications, 2011, 47, 10431-10433
1501473 CIFC45 H35 F3 N4 O7 S ZnP 1 21/c 110.1785; 16.3337; 24.162
90; 91.037; 90
4016.34Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau
Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes
Chemical Communications, 2011, 47, 10431-10433
1501474 CIFC46 H38 Cd Cl N5 O8P -113.2066; 13.243; 14.306
102.54; 116.809; 99.7178
2075.18Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau
Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes
Chemical Communications, 2011, 47, 10431-10433
1501647 CIFC84 H81 Br4 N3 P6 Re3 S4C 1 2/c 144.6606; 13.7072; 29.2555
90; 98.463; 90
17714.4Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo
Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state
Che. Commun., 2012, 48, 2713
1501648 CIFC82.5 H81 Br2.6 Cl10.4 P6 Re3 S4P -113.6395; 15.3991; 22.8431
80.532; 72.639; 83.432
4506.04Sergey Konchenko; Rosa Llusar; Pavel Petrov; Aleksandr Virovets; Artem Bogomyakov; Carlos Gomez Garcia; Victor Polo
Synthesis, molecular and electronic structure of an incomplete cuboidal Re3S4 cluster with an unusual quadruplet ground state
Che. Commun., 2012, 48, 2713
1542543 CIFC9 H6.2 N6 O0.1R -3 m :H12.657; 12.657; 9.296
90; 90; 120
1289.7Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
Chemical communications (Cambridge, England), 2016, 52, 4991-4994
1542544 CIFC12 H17 F9 N6 O7P b c n12.335; 21.047; 7.89
90; 90; 90
2048.4Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
Chemical communications (Cambridge, England), 2016, 52, 4991-4994
1542545 CIFC14 H3.5 F10.5 N7P 41 3 215.8427; 15.8427; 15.8427
90; 90; 90
3976.4Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
Chemical communications (Cambridge, England), 2016, 52, 4991-4994
1546410 CIFC6 H22 Ca O13 P2P 1 21/n 17.1912; 28.323; 9.0175
90; 110.259; 90
1723Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.
Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems
Chemical Communications, 2017, 53, 8160-8163
1546411 CIFC54.3 H66.67 N8 O2.03P 1 21/c 117.8264; 15.4605; 19.2829
90; 113.954; 90
4856.7Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.
Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems
Chemical Communications, 2017, 53, 8160-8163
1546412 CIFC38 H45 Eu N12 O9P -110.6829; 11.9538; 17.4933
88.385; 77.936; 70.385
2055.67Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.
Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems
Chemical Communications, 2017, 53, 8160-8163
1546413 CIFC37 H48 N8 O2P 1 21/n 116.9253; 8.6647; 23.1992
90; 98.832; 90
3361.9Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.
Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems
Chemical Communications, 2017, 53, 8160-8163
1546435 CIFC24 H21 N O3P 1 21/c 117.0796; 13.6704; 18.9052
90; 116.272; 90
3958.1Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu
A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation
Chemical Communications, 2017, 53, 8320-8323
1546815 CIFC34 H48 Cl Ir N2 SiP 1 21/c 111.5766; 17.2082; 17.1087
90; 107.784; 90
3245.4Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura
Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes
Chemical Communications, 2017, 53, 10275-10278
1546816 CIFC51 H74 Cl7 Ir N4 Si2P -110.0773; 13.0942; 22.7288
83.648; 87.998; 76.732
2901.04Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura
Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes
Chemical Communications, 2017, 53, 10275-10278
1546817 CIFC35.5 H50 Cl Ir N2 SiP 1 21/c 120.2028; 9.0196; 20.2302
90; 114.903; 90
3343.6Cabeza, Javier A.; García-Álvarez, Pablo; González-Álvarez, Laura
Facile cyclometallation of a mesitylsilylene: synthesis and preliminary catalytic activity of iridium(III) and iridium(V) iridasilacyclopentenes
Chemical Communications, 2017, 53, 10275-10278
1546818 CIFC37 H22 F3 Fe I4 N5 O2P 1 c 18.447; 11.738; 19.66
90; 107.207; 90
1862.1Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc
Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network
Chemical Communications, 2017, 53, 10283-10286
1546819 CIFC38 H22 F3 Fe I4 N4 O2P 1 c 18.3692; 11.5822; 19.5061
90; 106.785; 90
1810.24Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc
Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network
Chemical Communications, 2017, 53, 10283-10286
1546820 CIFC38 H22 F3 Fe I4 N4 O2C 1 c 116.7237; 22.9833; 19.4485
90; 107.484; 90
7129.98Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Rouzières, Mathieu; Jeannin, Olivier; Trzop, Elzbieta; Collet, Eric; Fourmigué, Marc
Photoinduced reversible spin-state switching of an Fe <sup>III</sup> complex assisted by a halogen-bonded supramolecular network
Chemical Communications, 2017, 53, 10283-10286
1546836 CIFC0 H18 B69 Mg7 N0 O126P -3 1 c26.1715; 26.1715; 15.3862
90; 90; 120
9126.81Wang, Jia-Jia; Yang, Guo-Yu
A novel supramolecular magnesoborate framework with snowflake-like channels built by unprecedented huge B <sub>69</sub> cluster cages
Chemical Communications, 2017, 53, 10398-10401
1546837 CIFC18 H6 S3P 1 21 19.785; 7.3055; 9.929
90; 118.84; 90
621.7Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin
Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes
Chemical Communications, 2017, 53, 10279-10282
1546838 CIFC24 H24 Si3P 1 21/c 112.04; 20.685; 18.893
90; 93.345; 90
4697.2Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin
Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes
Chemical Communications, 2017, 53, 10279-10282
1546839 CIFC20.5 H14 N5.5 O9.5 S2 Zn2P 43 21 219.3615; 19.3615; 14.1645
90; 90; 90
5309.81Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei
Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation
Chemical Communications, 2017, 53, 10314-10317
1546840 CIFC20.5 H14 N5.5 O9.5 S2 Zn2P 43 21 219.3938; 19.3938; 14.1496
90; 90; 90
5321.94Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei
Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation
Chemical Communications, 2017, 53, 10314-10317
1546841 CIFC20.5 H14 N5.5 O9.5 S2 Zn2P 43 21 219.3596; 19.3596; 14.1336
90; 90; 90
5297.2Han, Xiao; Cheng, Qing; Meng, Xiangru; Shao, Zhichao; Ma, Ke; Wei, Donghui; Ding, Jie; Hou, Hongwei
Unique structural micro-adjustments in a new benzothiadiazole-derived Zn( <scp>ii</scp> ) metal organic framework via simple photochemical decarboxylation
Chemical Communications, 2017, 53, 10314-10317
1546907 CIFC42 H67 Al Cl N2P 1 21/n 114.41; 17.145; 17.2175
90; 114.14; 90
3881.8Kundu, Subrata; Sinhababu, Soumen; Dutta, Sayan; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Schwederski, Brigitte; Kaim, Wolfgang; Stückl, A. Claudia; Roesky, Herbert W.
Synthesis and characterization of Lewis base stabilized mono- and di-organo aluminum radicals
Chemical Communications, 2017, 53, 10516-10519
1547870 CIFC80 H104 O12P 1 21/n 118.8502; 9.25277; 20.4322
90; 106.169; 90
3422.75Yang, Liu-Pan; Jia, Fei; Pan, Fangfang; Pan, Zhi-Sheng; Rissanen, Kari; Jiang, Wei
Effects of side chains of oxatub[4]arene on its conformational interconversion, molecular recognition and macroscopic self-assembly
Chemical Communications, 2017, 53, 12572-12575
1549179 CIFC29 H17 Eu Na2 O14 S2P n m a26.6907; 22.7441; 5.7141
90; 90; 90
3468.8Wang, Xia; Wang, Yanlong; Silver, Mark A.; Gui, Daxiang; Bai, Zhuanling; Wang, Yaxing; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao
Superprotonic conduction through one-dimensional ordered alkali metal ion chains in a lanthanide-organic framework.
Chemical communications (Cambridge, England), 2018, 54, 4429-4432
1549184 CIFC7 H15 I3 N2 PbP 63/m m c10.4821; 10.4821; 8.1053
90; 90; 120
771.25Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming
Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.
Chemical communications (Cambridge, England), 2018, 54, 4321-4324
1549185 CIFC7 H15 I3 N2 PbP b c a18.6221; 8.0211; 20.4046
90; 90; 90
3047.83Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming
Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.
Chemical communications (Cambridge, England), 2018, 54, 4321-4324
1549186 CIFC25 H20 F3 I2 N7 O3 SP 1 21/c 114.2649; 8.5985; 22.85
90; 95.1; 90
2791.6Dreger, Alexander; Engelage, Elric; Mallick, Bert; Beer, Paul D.; Huber, Stefan M.
The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators.
Chemical communications (Cambridge, England), 2018, 54, 4013-4016
1549187 CIFC33 H37 Br I2 N8P 1 21/c 115.479; 16.978; 13.102
90; 99.204; 90
3399Dreger, Alexander; Engelage, Elric; Mallick, Bert; Beer, Paul D.; Huber, Stefan M.
The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators.
Chemical communications (Cambridge, England), 2018, 54, 4013-4016
1549218 CIFC55 H49 B Cl Ir N2P 1 21/n 120.4266; 9.3782; 24.537
90; 108.456; 90
4458.7Zhang, Hairong; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; Zhang, Shumiao; Xu, Zhishan; Gong, Peiwei; Zheng, Xiaofeng; Zhao, Jia; Liu, Zhe
Significant effects of counteranions on the anticancer activity of iridium(iii) complexes.
Chemical communications (Cambridge, England), 2018, 54, 4421-4424
1549219 CIFC30 H28 Cl F6 O PP -17.1352; 13.528; 14.6245
70.019; 86.507; 89.808
1323.96Shyshov, Oleksandr; Siewerth, Kevin Andre; von Delius, Max
Evidence for anion-binding of all-cis hexafluorocyclohexane in solution and solid state.
Chemical communications (Cambridge, England), 2018, 54, 4353-4355
1549257 CIFC28 H76 B2 O2 Pb Si8C 1 2/c 125.147; 18.137; 23.271
90; 118.845; 90
9297Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549258 CIFC28 H76 B2 O2 Si8 SnC 1 2/c 125.1738; 18.1907; 24.6824
90; 123.917; 90
9379.6Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549259 CIFC18 H6 F36 O7 Pb4P 1 21/c 118.87; 10.1801; 19.4987
90; 90.176; 90
3745.7Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549260 CIFC15 H30 N2 Pb Si2P -18.9054; 10.6022; 12.4223
103.574; 110.985; 103.843
994.7Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549261 CIFC23 H50 B N O Pb Si4P 1 21/n 19.1319; 18.6282; 18.929
90; 102.613; 90
3142.3Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann
Stable lead(ii) boroxides.
Chemical communications (Cambridge, England), 2018, 54, 5299-5302
1549357 CIFC37 H54 Ir N P2P -19.1192; 10.6683; 17.8231
93.18; 92.823; 95.767
1719.89Kumar, Amit; Feller, Moran; Ben-David, Yehoshoa; Diskin-Posner, Yael; Milstein, David
Formal oxidative addition of a C-H bond by a 16e iridium(i) complex involves metal-ligand cooperation.
Chemical communications (Cambridge, England), 2018, 54, 5365-5368
1549704 CIFC14 H26 N O4 SbP b c a8.0941; 43.971; 8.3622
90; 90; 90
2976.2Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.
Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution.
Chemical communications (Cambridge, England), 2018, 54, 8849-8852
1550040 CIFC138 H148 Br8 Cl4 N12 Zn2P -117.6822; 17.7483; 25.194
78.121; 77.607; 60.899
6699.7Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550041 CIFC33 H42 Cl10 N4C 1 2/c 116.0787; 21.553; 24.176
90; 94.498; 90
8352.2Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550042 CIFC64 H80 Cl12 N8 Zn2P b c a21.712; 13.037; 54.215
90; 90; 90
15346Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550043 CIFC74 H102 Cl28 N8P -112.838; 15.476; 27.491
98.93; 92.92; 110.32
5027Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.
Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.
Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550805 CIFC24 H18 N2 O2P 1 21/c 17.6952; 12.1964; 19.5655
90; 97.259; 90
1821.6Bete, Sarah C.; Würtele, Christian; Otte, Matthias
A bio-inspired imidazole-functionalised copper cage complex
Chemical Communications, 2019, 55, 4427-4430
1550806 CIFC110 H128 Cu F6 N12 O2 SbP -115.9483; 18.9098; 20.1274
93.485; 110.627; 109.075
5261.7Bete, Sarah C.; Würtele, Christian; Otte, Matthias
A bio-inspired imidazole-functionalised copper cage complex
Chemical Communications, 2019, 55, 4427-4430
1550836 CIFC27 H22 N2 O2 SP 1 21/n 16.8651; 19.3795; 18.327
90; 99.218; 90
2406.8Sinha, Sanghamitra; Chowdhury, Bijit; Ghorai, Uttam Kumar; Ghosh, Pradyut
Multitasking behaviour of a small organic compound: solid state bright white-light emission, mechanochromism and ratiometric sensing of Al( <scp>iii</scp> ) and pyrophosphate
Chemical Communications, 2019, 55, 5127-5130

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