Crystallography Open Database

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1544655 CIFC90 H121 F6 N7 O18 PP 1 21/c 122.63; 23.529; 19.425
90; 112.979; 90
9522Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua
Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.
Chemical science, 2017, 8, 2091-2100
1544656 CIFC216 H292 F12 N20 O36 P2P 1 21/n 122.928; 25.6042; 23.2131
90; 111.03; 90
12719.6Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua
Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.
Chemical science, 2017, 8, 2091-2100
1544657 CIFC12 H30 I6 N2 PbP b c a9.0651; 8.8852; 33.617
90; 90; 90
2707.7Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.
Decreasing the electronic confinement in layered perovskites through intercalation.
Chemical science, 2017, 8, 1960-1968
1544658 CIFC39 H36 Cl2 Ir O2 PC 1 2 119.385; 16.22; 10.9215
90; 107.035; 90
3283.3Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin
Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.
Chemical science, 2017, 8, 1977-1980
1544660 CIFC45 H43 Cl11 N O P PdP 21 21 2113.7983; 18.7174; 19.3028
90; 90; 90
4985.3Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.
Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.
Chemical science, 2017, 8, 1981-1985
1544661 CIFC17 H17 NP 21 21 216.077; 7.7665; 27.619
90; 90; 90
1303.5Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.
Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.
Chemical science, 2017, 8, 1981-1985
1544701 CIFC81.75 H139 F6 N17 O9.75 PP 21 21 2120.2513; 20.7166; 21.07611
90; 90; 90
8842.23Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544702 CIFC82 H140 F6 N16 O10 P SbP 1 21 120.20836; 21.378; 20.70075
90; 90.0578; 90
8943.02Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544703 CIFC82 H140 B F4 N17 O10P 21 21 2120.03081; 20.92663; 20.97159
90; 90; 90
8790.82Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544704 CIFC81.75 H139 N17 O13.75 ReP 21 21 2120.1641; 20.8019; 21.1254
90; 90; 90
8861.1Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544705 CIFC82 H140 I N16 O14 PP 1 21 120.1263; 21.3089; 20.7811
90; 90.0371; 90
8912.4Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544706 CIFC83 H140 F3 N17 O13 SP 21 21 2120.27229; 20.7328; 21.02695
90; 90; 90
8837.66Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina
Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution
Chem. Sci., 2017, 8, 2184
1544742 CIFC26 H38 Au N2 P SP 1 21/c 112.4327; 15.7628; 12.9117
90; 97.2061; 90
2510.37Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Chemical science, 2017, 8, 2352-2364
1544743 CIFC32 H25 Au N2 O2P 1 21/c 111.4778; 20.461; 11.6734
90; 111.062; 90
2558.3Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Chemical science, 2017, 8, 2352-2364
1544744 CIFC39 H51 Au B F2 N2 PP 1 21/n 110.9501; 25.1526; 13.6349
90; 102.556; 90
3665.6Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming
The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.
Chemical science, 2017, 8, 2352-2364
1544751 CIFC35 H53 Fe N2 P3 SiP c a 2117.8087; 11.3207; 17.3127
90; 90; 90
3490.36Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544752 CIFC43 H65 Fe N3 Na O2 P3 SiP 1 21/c 113.454; 10.208; 32.264
90; 90.86; 90
4431Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544753 CIFC69 H71 B F24 Fe N2 O0.5 P3 SiP -113.2134; 16.5453; 19.1158
107.944; 103.367; 104.913
3616.2Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544754 CIFC45 H69 Fe N5 Na O3 P3 SiP 1 21/c 116.278; 12.177; 24.314
90; 90.733; 90
4819.1Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544755 CIFC35 H53 Fe N3 P3 SiP -110.4778; 17.2329; 20.001
92.885; 96.497; 98.431
3541.2Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544756 CIFC73 H82 B F24 Fe N3 O1.5 P3 SiP -112.6269; 16.1557; 20.397
86.951; 77.672; 72.605
3878.8Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544757 CIFC45 H69 Fe N5 Na O3 P3 SiP n m a24.918; 16.256; 12.349
90; 90; 90
5002Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544758 CIFC39 H51 Cl Fe N3 P3 SiP n a 2138.962; 11.0406; 18.1487
90; 90; 90
7806.9Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544759 CIFC33 H45 Cl0 Fe N5 P3 SiP 1 21 110.6457; 19.2443; 16.2208
90; 91.27; 90
3322.3Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544760 CIFC69 H70 B F24 Fe N4 O P3 SiP -117.5105; 20.6792; 22.9097
102.798; 94.824; 111.77
7385Creutz, Sidney E.; Peters, Jonas C.
Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.
Chemical science, 2017, 8, 2321-2328
1544780 CIFC16 H32.72 N4 O12.36 ZrP 4 c c13.0201; 13.0201; 13.1802
90; 90; 90
2234.3Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J.
Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development.
Chemical science, 2017, 8, 2309-2314
1544786 CIFC8 H16 Cl2 N4 O5 PtP 1 21/c 112.2584; 10.9135; 21.9058
90; 104.66; 90
2835.2Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.
An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo
Chem. Sci., 2017, 8, 2241
1544787 CIFC9 H20 Cl2 N4 O7 PtC 1 2/c 127.345; 10.1753; 12.3345
90; 101.328; 90
3365.1Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.
An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo
Chem. Sci., 2017, 8, 2241
1544788 CIFC697 H897 Ag115 P12 S81P -129.4745; 35.8121; 48.4263
86.379; 75.637; 74.164
47638.4Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter
[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster
Chem. Sci., 2017, 8, 2235
1544802 CIFC35 H32 B2 Cl F18 N3P 1 21/n 111.379; 22.2822; 16.4411
90; 107.567; 90
3974.2Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544803 CIFC46 H51 B2 F18 N5C 1 2/c 112.936; 18.7832; 41.0326
90; 94.5442; 90
9938.7Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544804 CIFC31 H39.5 B F3.5 N5 O3 SP -19.3972; 12.2337; 16.8072
73.1735; 77.1382; 68.1258
1701.94Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544805 CIFC12 H21 B F3 N5 O3 SC m c 2113.5787; 12.2769; 11.1774
90; 90; 90
1863.32Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544806 CIFC54 H53 B2 F24 N7P 21 21 2112.6084; 19.7795; 24.1204
90; 90; 90
6015.3Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544807 CIFC35.38 H33.75 B2 Cl0.75 F18 N3I 1 2/a 125.1883; 12.192; 26.4276
90; 98.253; 90
8031.8Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544808 CIFC38.5 H35 B2 F18 N3P 1 21/n 112.2423; 22.642; 14.6138
90; 92.7542; 90
4046.12Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().
Chemical science, 2017, 8, 2337-2343
1544809 CIFC14 H24 F6 Fe N24 O6 S2P -17.543; 11.336; 11.424
63.483; 89.755; 88.763
873.9Urtizberea, A.; Roubeau, O.
Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.
Chemical science, 2017, 8, 2290-2295
1544810 CIFC14 H24 F6 Fe N24 O6 S2R -3 :H19.724; 19.724; 45.031
90; 90; 120
15172Urtizberea, A.; Roubeau, O.
Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.
Chemical science, 2017, 8, 2290-2295
1544822 CIFC14 H10 N2 O2P b c a8.2; 12.4012; 21.182
90; 90; 90
2154Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker
Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.
Chemical science, 2017, 8, 2431-2435
1544823 CIFC15 H14 N2 O2P 1 21/n 18.73; 13.396; 11.372
90; 101.968; 90
1301Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker
Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.
Chemical science, 2017, 8, 2431-2435
1544824 CIFC66 H52 Cl12 N2 O4P 4313.9364; 13.9364; 34.5285
90; 90; 90
6706.24Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh
Enhanced intersystem crossing in core-twisted aromatics
Chem. Sci., 2017, 8, 1776
1544825 CIFC104 H86 N2 O4P -111.4627; 11.8704; 15.645
76.067; 89.834; 72.77
1968.03Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh
Enhanced intersystem crossing in core-twisted aromatics
Chem. Sci., 2017, 8, 1776
1544826 CIFC17 H17 N OP 1 21/n 16.3989; 11.27072; 19.0731
90; 92.0107; 90
1374.71Kim, Jungwon; Hong, Soon Hyeok
Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones.
Chemical science, 2017, 8, 2401-2406
1544843 CIFC35 H28 N4 OP 1 21/n 19.359; 10.6693; 27.872
90; 93.525; 90
2777.9Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong
Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging
Chem. Sci., 2017, 8, 1763
1544851 CIFC24 H28 N2 O10P 1 21/c 16.241; 27.3263; 6.9456
90; 99.4148; 90
1168.57Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin
Piezochromism and hydrochromism through electron transfer: new stories for viologen materials
Chem. Sci., 2017, 8, 2758
1544969 CIFC42 H50 F12 N10 O7 P2 RuC 1 2/c 121.9093; 15.8193; 19.1282
90; 130.884; 90
5012.2Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J.
Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity.
Chemical science, 2017, 8, 395-404
1544982 CIFC40 H89 Ga O13 Si3P -118.0886; 25.2724; 26.1157
62.983; 89.953; 89.655
10635.5Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe
Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts
Chem. Sci., 2017, 8, 2661
1544983 CIFC34 H30 Cu4 I4 N6 S4P 1 21/n 114.003; 8.7535; 16.9635
90; 93.969; 90
2074.32Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation
Chem. Sci., 2017, 8, 2592
1544984 CIFC34 H30 Cu4 I4 N6 S4P -18.811; 10.0997; 12.544
101.523; 102.995; 104.283
1014.82Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation
Chem. Sci., 2017, 8, 2592
1544985 CIFC35 H32 Cl2 Cu4 I4 N6 S4C 1 2/c 128.265; 16.1159; 10.1658
90; 109.463; 90
4366.1Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation
Chem. Sci., 2017, 8, 2592

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