Crystallography Open Database

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7108892 CIFC50 H58.86 F42 Fe3 N19 O46.43 S14P -114.9606; 15.5623; 27.4325
93.562; 101.381; 115.135
5591.2Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
Catalytic "triangles": binding of iron in task-specific ionic liquids
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 1915-1917
7108893 CIFC48 H68 Cl25 Fe9 N6 O20P b c n24.8363; 13.7847; 27.4404
90; 90; 90
9394.5Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
Catalytic "triangles": binding of iron in task-specific ionic liquids
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 1915-1917
7108907 CIFC32 H33 N O6 SP -18.2167; 8.929; 21.221
97.25; 94.2; 107.69
1461.1Tian, Junjun; He, Zhengjie
Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2058-2060
7108908 CIFC32 H32 N O6 SP -19.2454; 12.053; 14.31
69.9; 86.02; 87.63
1493.6Tian, Junjun; He, Zhengjie
Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2058-2060
7108916 CIFC20 H20 O2 SP 1 21/c 119.0155; 8.21; 11.645
90; 107.291; 90
1735.83Liu, Bangyu; Zheng, Gang; Liu, Xiaocui; Xu, Cong; Liu, Jingxin; Wang, Mang
Regio- and stereoselective synthesis of 2-cyclopentenones via a hydrogenolysis-terminated Heck cyclization of β-alkylthio dienones.
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2201-2203
7108923 CIFC60 H90 Fe2 P10 Sm2P -114.8642; 15.0687; 17.7081
68.847; 77.695; 63.804
3312.3Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.
P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2183-2185
7108924 CIFC68 H106 Fe2 P10 Sm2P 1 21/c 114.357; 28.55; 17.985
90; 95.08; 90
7343Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.
P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2183-2185
7108936 CIFC17 H13 N5 O2P 21 21 2117.1841; 12.4648; 6.7661
90; 90; 90
1449.27Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa
Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2109-2111
7108937 CIFC17 H13 N5 O2P 1 21/c 18.3304; 16.7637; 20.9646
90; 92.043; 90
2925.8Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa
Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 2109-2111
7109248 CIFAg2 Hg O2P 43 21 26.1737; 6.1737; 8.4219
90; 90; 90
320.997Deibele, Stephan; Curda, Jan; Peters, Eva-Maria; Jansen, Martin
Ag~2~HgO~2~: the first silver mercurate
Chemical Communications (Cambridge, United Kingdom), 2000, 679-680
7109399 CIFC40 H51 B20 P2 Ru S3P 1 21/c 111.2601; 20.5822; 23.0476
90; 109.272; 90
5042.1Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong
Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 5880-5882
7109400 CIFC96 H194 B120 O3 P4 Ru4 S16P 1 21/c 112.272; 20.26; 21.918
90; 115.42; 90
4922Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong
Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 5880-5882
7109401 CIFC160 H206 B80 O5 P8 Ru4 S8P 1 21/c 111.1116; 21.748; 20.813
90; 93.837; 90
5018.3Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong
Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 5880-5882
7109402 CIFC96 H190 B120 O5 P4 Ru4 S12P 1 21/c 111.9674; 20.4772; 21.38
90; 115.859; 90
4714.7Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong
Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 5880-5882
7109776 CIFC74 H48 N2P 1 21/c 19.095; 26.61; 11.307
90; 110.389; 90
2565.1Baglai, Iaroslav; Maraval, Valérie; Bijani, Christian; Saffon-Merceron, Nathalie; Voitenko, Zoia; Volovenko, Yulian M.; Chauvin, Remi
Enhanced π-frustration in carbo-benzenic chromophores
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 8374-8376
7109777 CIFC79.5 H51.5 Cl6.5 N2P -112.939; 15.04; 18.094
80.329; 78.847; 74.329
3301Baglai, Iaroslav; Maraval, Valérie; Bijani, Christian; Saffon-Merceron, Nathalie; Voitenko, Zoia; Volovenko, Yulian M.; Chauvin, Remi
Enhanced π-frustration in carbo-benzenic chromophores
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 8374-8376
7109789 CIFC32 H40 F12 N6 P2 Pb S2C 1 2/c 141.814; 8.942; 22.936
90; 105.692; 90
8256Wang, Fan; Ni, Chun-Yan; Liu, Quan; Li, Fu-Ling; Shi, Jing; Li, Hong-Xi; Lang, Jian-Ping
[Pb(Tab)2(4,4'-bipy)](PF6)2: two-step ambient temperature quantitative solid-state synthesis, structure and dielectric properties
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 9248-9250
7109792 CIFC32 H47 O2 P3 PdP c a 2118.456; 14.233; 12.5508
90; 90; 90
3296.9Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao
A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 7498-7500
7109793 CIFC30 H46 O2 P2 PdP 1 21/n 111.7501; 14.1473; 18.6
90; 101.676; 90
3027.9Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao
A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 7498-7500
7109798 CIFC20 H25 N5 O3P 21 21 218.6444; 15.088; 15.404
90; 90; 90
2009.1Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao
β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 8943-8945
7109978 CIFC34 H34 N P SiC 1 c 117.002; 8.839; 20.361
90; 112.614; 90
2825Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki
Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 10373-10375
7109979 CIFC25 H32 N P SiP 1 21/n 18.745; 16.531; 16.017
90; 97.8059; 90
2294Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki
Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 10373-10375
7110281 CIFC42 H62 Co N10 O7P 1 21/c 111.892; 18.244; 11.95
90; 64.19; 90
2334Kanegawa, Shinji; Karasawa, Satoru; Nakano, Motohiro; Koga, Noboru
Magnetic behavior of tetrakis[4-(N-tert-butyl-N-oxylamino)pyridine]bis(isocyanato-N)cobalt(II) in frozen solution
Chemical Communications (Cambridge, United Kingdom), 2004, 1750-1751
7110325 CIFC213 H171 Cl9 Co13 N62 O84P 63/m24.2682; 24.2682; 29.4699
90; 90; 120
15030.9Milway, Victoria A.; Thompson, Laurence K.; Miller, David O.
Self-assembly by ligand disassembly?–formation of an unusual dodecanuclear [Co(II)~6~Co(III)~6~] cluster
Chemical Communications (Cambridge, United Kingdom), 2004, 1790-1791
7110350 CIFC72 H93 Cd2 N9 O21P 110.239; 13.283; 15.851
73.28; 79.44; 80.24
2014Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.
Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 1125-1127
7110351 CIFC148 H176 Cd4 N20 O44C 1 2 145.995; 15.366; 32.009
90; 134.07; 90
16254Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.
Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 1125-1127
7110352 CIFC81 H94 Cd2 N7 O23P 61 2 219.928; 19.928; 78.862
90; 90; 120
27122Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.
Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 1125-1127
7110533 CIFC55.5 H103 O50C 1 2 119.322; 24.641; 16.05
90; 108.759; 90
7235.7Brett, Tom J.; Alexander, Jennifer M.; Clark, Joanna L.; Ross, II, Charles R.; Harbison, Gerard S.; Stezowski, John J.
Chemical insight from crystallographic disorder: structural studies of a supramolecular β-cyclodextrin/coumarin photochemical system
Chemical Communications (Cambridge, United Kingdom), 1999, 1275-1276
7110534 CIFC18 H12 O4P 1 21/c 110.512; 11.81; 11.012
90; 91.163; 90
1366.82Brett, Tom J.; Alexander, Jennifer M.; Clark, Joanna L.; Ross, II, Charles R.; Harbison, Gerard S.; Stezowski, John J.
Chemical insight from crystallographic disorder: structural studies of a supramolecular β-cyclodextrin/coumarin photochemical system
Chemical Communications (Cambridge, United Kingdom), 1999, 1275-1276
7110544 CIFC16 H10 Cl2 N2 O4P 1 21/n 18.2377; 5.965; 15.0893
90; 94.986; 90
738.65Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro
Novel supramolecular synthon in crystal engineering: ionic complexes of 4,4'-bipyridine and 1,2-bis(2-pyridyl)ethylene with 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone
Chemical Communications (Cambridge, United Kingdom), 1999, 999-1000
7110545 CIFC18 H12 Cl2 N2 O4P -19.855; 11.245; 3.9057
91.34; 99.69; 111.702
394.67Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro
Novel supramolecular synthon in crystal engineering: ionic complexes of 4,4'-bipyridine and 1,2-bis(2-pyridyl)ethylene with 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone
Chemical Communications (Cambridge, United Kingdom), 1999, 999-1000
7110565 CIFC20 H134 Mo6 N10 O106 S8 Si2 W22C 1 2/m 124.82; 20.98; 26.87
90; 97.24; 90
13880Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Hauptfleisch, Björn; Fenske, Heinz-Dieter; Baum, Gerhard
‘Adding’ stable functional complementary, nucleophilic and electrophilic clusters: a synthetic route to [{(SiW11O39)Mo3S4(H2O)3(μ-OH)}2]10− and [{(P2W17O61)Mo3S4(H2O)3(μ-OH)}2]14− as examples
Chemical Communications (Cambridge, United Kingdom), 1999, 1189-1190
7110566 CIFC28 H176 Mo6 N14 O155 P4 S8 W34C m c m22.419; 15.11; 56.036
90; 90; 90
18982Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Hauptfleisch, Björn; Fenske, Heinz-Dieter; Baum, Gerhard
‘Adding’ stable functional complementary, nucleophilic and electrophilic clusters: a synthetic route to [{(SiW11O39)Mo3S4(H2O)3(μ-OH)}2]10− and [{(P2W17O61)Mo3S4(H2O)3(μ-OH)}2]14− as examples
Chemical Communications (Cambridge, United Kingdom), 1999, 1189-1190
7110584 CIFC8 H30 F7 Fe5 N6 O26 P7P 1 21/n 19.67; 15.618; 22.563
90; 90.82; 90
3407.3Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.
An open-framework iron phosphate with large voids, exhibiting spin-crossover
Chemical Communications (Cambridge, United Kingdom), 1999, 1305-1306
7111133 CIFC29 H31 N3 OC 1 2/c 119.7473; 10.8189; 23.8391
90; 114.033; 90
4651.6Cave, Gareth W. V.; Raston, Colin L.
Toward benign syntheses of pyridines involving sequential solvent free aldol and Michael addition reactions
Chemical Communications (Cambridge, United Kingdom), 2000, 2199-2200
7111271 CIFC24 H32 Mo O P2P 1 21/n 110.5855; 16.018; 14.007
90; 90.515; 90
2374.9Hascall, Tony; Baik, Mu-Hyun; Bridgewater, Brian M.; Shin, Jun Ho; Churchill, David G.; Friesner, Richard A.; Parkin, Gerard
A non-classical hydrogen bond in the molybdenum arene complex [η^6^-C~6~H~5~C~6~H~3~(Ph)OH]Mo(PMe~3~)~3~: evidence that hydrogen bonding facilitates oxidative addition of the O–H bond
Chemical Communications (Cambridge, United Kingdom), 2002, 2644-2645
7111272 CIFC27 H41 Mo O P3P 1 21/n 18.3296; 20.6245; 16.255
90; 95.106; 90
2781.4Hascall, Tony; Baik, Mu-Hyun; Bridgewater, Brian M.; Shin, Jun Ho; Churchill, David G.; Friesner, Richard A.; Parkin, Gerard
A non-classical hydrogen bond in the molybdenum arene complex [η^6^-C~6~H~5~C~6~H~3~(Ph)OH]Mo(PMe~3~)~3~: evidence that hydrogen bonding facilitates oxidative addition of the O–H bond
Chemical Communications (Cambridge, United Kingdom), 2002, 2644-2645
7111273 CIFC24 H32 O P2 WP 1 21/n 110.5899; 15.9694; 14.0653
90; 90.585; 90
2378.52Hascall, Tony; Baik, Mu-Hyun; Bridgewater, Brian M.; Shin, Jun Ho; Churchill, David G.; Friesner, Richard A.; Parkin, Gerard
A non-classical hydrogen bond in the molybdenum arene complex [η^6^-C~6~H~5~C~6~H~3~(Ph)OH]Mo(PMe~3~)~3~: evidence that hydrogen bonding facilitates oxidative addition of the O–H bond
Chemical Communications (Cambridge, United Kingdom), 2002, 2644-2645
7111365 CIFC48 H54 Cd2 N4 O15P -110.5609; 12.7878; 18.5575
80.636; 85.732; 72.991
2363.69Bi, Wenhua; Cao, Rong; Sun, Daofeng; Yuan, Daqiang; Li, Xing; Wang, Yanqin; Li, Xiaoju; Hong, Maochun
Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes
Chemical Communications (Cambridge, United Kingdom), 2004, 2104-2105
7111366 CIFC40 H43 Cd2 N4 O11.5P -111.6798; 13.006; 14.1926
90.833; 113.679; 90.223
1974.13Bi, Wenhua; Cao, Rong; Sun, Daofeng; Yuan, Daqiang; Li, Xing; Wang, Yanqin; Li, Xiaoju; Hong, Maochun
Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes
Chemical Communications (Cambridge, United Kingdom), 2004, 2104-2105
7111790 CIFC7 H6.5 I0.25 N0.5 Os0.125I 4/m17.995; 17.995; 9.182
90; 90; 90
2973Gross, Zeev; Barzilay, Claudia M.
Halogen to metal π-donation in metalloporphyrins
Chemical Communications (Cambridge, United Kingdom), 1998, 1105-1107
7112365 CIFC20 H25 N5 O2 SP 21 21 218.7524; 15.1376; 15.8697
90; 90; 90
2102.58Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao
β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas
Chemical Communications (Cambridge, United Kingdom), 2013, 49, 8943-8945
7112481 CIFC22 H27 Cl4 Mn N5P b c a15.9762; 15.10805; 21.3826
90; 90; 90
5161.1Grau, Michaela; Rigodanza, Francesco; White, Andrew J. P.; Sorarù, Antonio; Carraro, Mauro; Bonchio, Marcella; Britovsek, George J. P.
Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 4607-4609
7112482 CIFC21 H19 F6 Mn N3 O8 S2P -19.9713; 10.0552; 14.007
95.426; 99.237; 99.809
1355.14Grau, Michaela; Rigodanza, Francesco; White, Andrew J. P.; Sorarù, Antonio; Carraro, Mauro; Bonchio, Marcella; Britovsek, George J. P.
Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 4607-4609
7112601 CIFC19 H17 N O2P 1 21/n 18.7792; 25.118; 14.2371
90; 103.655; 90
3050.8Liu, Pei; Liu, Jin-Ling; Wang, Heng-Shan; Pan, Ying-Ming; Liang, Hong; Chen, Zhen-Feng
Copper-mediated cross-coupling‒cyclization‒oxidation: a one-pot reaction to construct polysubstituted pyrroles.
Chemical Communications (Cambridge, United Kingdom), 2014, 50, 4795-4798
7112688 CIFC18 H16 Cl N O2P 1 21/n 19.369; 16.869; 9.901
90; 102.76; 90
1526.2Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio
Guiding the nitrogen nucleophile to the middle: palladium-catalyzed decarboxylative cyclopropanation of 2-alkylidenetrimethylene carbonates with isocyanates
Chemical Communications (Cambridge, United Kingdom), 2011, 47, 3057-3059
7112849 CIFC36 H30 Cl F N2 O3P 439.339; 9.339; 34.336
90; 90; 90
2994.7Shintani, Ryo; Takatsu, Keishi; Hayashi, Tamio
Copper-catalyzed asymmetric addition of arylboronates to isatins: a catalytic cycle involving alkoxocopper intermediates
Chemical Communications (Cambridge, United Kingdom), 2010, 46, 6822-6824
7112850 CIFC66 H73 Cu F N3 O3P 1 21/c 113.033; 10.328; 42.357
90; 90.232; 90
5701.4Shintani, Ryo; Takatsu, Keishi; Hayashi, Tamio
Copper-catalyzed asymmetric addition of arylboronates to isatins: a catalytic cycle involving alkoxocopper intermediates
Chemical Communications (Cambridge, United Kingdom), 2010, 46, 6822-6824
7113213 CIFC6 H6 I2 N2 OP -17.6928; 7.7411; 8.1841
80.734; 72.131; 85.702
457.64Aakeröy, Christer B.; Desper, John; Helfrich, Brian A.; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea
Combining halogen bonds and hydrogen bonds in the modular assembly of heteromeric infinite 1-D chains
Chemical Communications (Cambridge, United Kingdom), 2007, 4236-4238
7113214 CIFC18 H12 F4 I2 N4 O2P 1 21/c 120.247; 5.071; 21.279
90; 106.911; 90
2090.3Aakeröy, Christer B.; Desper, John; Helfrich, Brian A.; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea
Combining halogen bonds and hydrogen bonds in the modular assembly of heteromeric infinite 1-D chains
Chemical Communications (Cambridge, United Kingdom), 2007, 4236-4238

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