Crystallography Open Database

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1514781 CIFC54 H61 F18 N19 O19 P2 S8 Sm2P 1 21/c 19.764; 19.857; 22.899
90; 97.37; 90		4403.1Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
Chemical Science, 2013, 4, 3717
1514782 CIFC30 H33 F9 N12 O9 P Pu S4P -113.2866; 13.3751; 13.849
83.93; 70.156; 80.123		2277.65Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
Chemical Science, 2013, 4, 3717
1514783 CIFC17 H20 N4 NiP 1 21/c 114.9461; 7.3243; 15.6793
90; 112.463; 90		1586.18Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514784 CIFC36 H40 F6 N8 Ni2 O6 S2P -110.076; 10.6657; 19.6623
90.05; 97.94; 105.384		2016.3Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514785 CIFC25 H36 K N4 Ni O2P 1 21/n 110.5982; 12.3634; 19.8165
90; 95.155; 90		2586Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514786 CIFC23 H29 F12 N7 Ni P2C 1 c 19.223; 23.7522; 15.2139
90; 107.35; 90		3181.2Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514787 CIFC35 H56 K N6 Ni O6P 1 21/c 112.7277; 21; 28.837
90; 99.126; 90		7610Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514788 CIFC70 H106 K2 N12 Ni O12C 1 2/c 134.46; 10.852; 23.144
90; 100.903; 90		8499Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514789 CIFC31 H22 N2P b c a9.7242; 17.6641; 25.6425
90; 90; 90		4404.59Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics
Chemical Science, 2013, 4, 3725
1514790 CIFC17 H15 N OP 1 21/c 19.1485; 13.8946; 10.4647
90; 102.948; 90		1296.4Cui, Sunliang; Zhang, Yan; Wu, Qifan
Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation
Chemical Science, 2013, 4, 3421
1514791 CIFC19.5 H18.5 Cl2.5 N OP 1 21/c 123.247; 9.9836; 16.0069
90; 90.649; 90		3714.8Cui, Sunliang; Zhang, Yan; Wu, Qifan
Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation
Chemical Science, 2013, 4, 3421
1514792 CIFC16 H14 Cl3 N O2P b c a9.7761; 14.7382; 24.0669
90; 90; 90		3467.6Cui, Sunliang; Zhang, Yan; Wu, Qifan
Rh(iii)-catalyzed C–H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation
Chemical Science, 2013, 4, 3421
1514793 CIFC17 H15 N O2P 21 21 216.4122; 12.077; 16.676
90; 90; 90		1291.4Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro
One-shot indole-to-carbazole π-extension by a Pd–Cu–Ag trimetallic system
Chemical Science, 2013, 4, 3416
1514794 CIFC24.5 H28.5 Cl1.5 N4 O6 RuP 1 21/c 18.906; 17.7086; 17.021
90; 91.073; 90		2684Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Chemical Science, 2013, 4, 3731
1514795 CIFC34 H31 Cl3 N4 O6 RuC 1 2/c 123.297; 12.4626; 25.803
90; 115.977; 90		6734.8Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Chemical Science, 2013, 4, 3731
1514796 CIFC66 H58 Cl4 Co2 N8 O21P -19.1898; 11.3905; 16.2931
78.018; 82.142; 76.846		1617.39Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Chemical Science, 2013, 4, 3731
1514797 CIFC14 H17 Br N2 O4 SP 21 21 217.6678; 13.5683; 14.958
90; 90; 90		1556.2Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean
Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes
Chemical Science, 2013, 4, 3427
1514798 CIFC21 H18 Cu N5 O4P 1 21/c 19.876; 9.295; 22.594
90; 106.8; 90		1985.5Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Chemical Science, 2013, 4, 3678
1514799 CIFC20 H16 Cu N5 O4P 1 21/c 19.399; 9.848; 21.834
90; 102.09; 90		1976.2Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Chemical Science, 2013, 4, 3678
1514800 CIFC21 H18 Cu N5 O4P 1 21/c 19.93; 9.3445; 22.717
90; 106.94; 90		2016.5Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Chemical Science, 2013, 4, 3678
1514801 CIFC24 H28 Cl3 N O6 Pd SP 1 21 19.3736; 15.178; 10.1053
90; 107.302; 90		1372.7Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro
Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts
Chemical Science, 2013, 4, 3753
1514802 CIFC45 H51 N3 P3 VP -110.0198; 11.1462; 19.6789
85.018; 79.607; 74.258		2078.99Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium–iron complexes featuring metal–metal multiple bonds
Chemical Science, 2013, 4, 3557
1514803 CIFC48 H57 Fe I N3 O0.75 P3 VP -110.7003; 22.3479; 22.519
62.001; 81.313; 88.637		4693.3Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514804 CIFC48 H60 Fe N3 P4 VP -3 c 116.3841; 16.3841; 22.8729
90; 90; 120		5317.4Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium–iron complexes featuring metal–metal multiple bonds
Chemical Science, 2013, 4, 3557
1514805 CIFC60 H69 Fe N4 P4 VP 1 21/c 113.0944; 14.5742; 28.469
90; 95.9356; 90		5403.9Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium–iron complexes featuring metal–metal multiple bonds
Chemical Science, 2013, 4, 3557
1514806 CIFC48 H57 F Fe I N3 O0.75 P3 VP -110.7611; 22.0867; 22.4678
63.268; 80.585; 85.642		4705.1Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514807 CIFC10 H20 Cl2 N4 NiP 1 21/n 18.0672; 13.6398; 12.88
90; 100.756; 90		1392.4Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514808 CIFC6 H13 Cl2 N2 PP b c a7.768; 12.985; 19.423
90; 90; 90		1959.1Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514809 CIFC11 H15 Cl2 N2 PC 1 2/c 119.24; 11.531; 15.038
90; 128.66; 90		2605.2Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514810 CIFC5 H10 Cl3 N2 PP 1 21/c 111.4381; 7.717; 12.979
90; 122.697; 90		964.09Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514811 CIFC10 H20 Cl2 N4 PdP 1 21/n 18.9858; 12.0174; 13.4315
90; 104.706; 90		1402.9Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514812 CIFC5 H11 F4 N2 PP -17.375; 7.56; 8.6846
74.688; 76.04; 62.6		410.6Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent – synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514813 CIFC5 H10 Cl4 N2 SiP b c a12.8424; 12.65; 13.2356
90; 90; 90		2150.21Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent – synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514814 CIFC26 H18 FeP -17.1257; 9.7812; 14.6087
74.587; 81.231; 70.49		922.94Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Chemical Science, 2013, 4, 437
1514815 CIFC25 H21 Fe N3P 1 21 111.3194; 5.7682; 14.8959
90; 94.364; 90		969.77Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Chemical Science, 2013, 4, 437
1514816 CIFC24 H18 FeP 1 21/c 121.166; 9.936; 8.1878
90; 92.968; 90		1719.6Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Chemical Science, 2013, 4, 437
1514817 CIFC18 H12 O2C 1 c 120.7703; 20.6316; 23.952
90; 102.233; 90		10031Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong
Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones
Chemical Science, 2013, 4, 526
1514818 CIFC10 H17 Cl N4 Ni O6P 1 21/n 17.3309; 16.9368; 12.1796
90; 95.441; 90		1505.43Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514819 CIFC22 H40 Cl2 N8.5 Ni O10 ZnP 1 21/n 111.5005; 20.8961; 14.2514
90; 109.637; 90		3225.65Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514820 CIFC22 H42 Cl2 N8 Ni O10 ZnP 1 21/n 111.5533; 22.0368; 12.9726
90; 104.81; 90		3193.1Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514821 CIFC21 H40 Cl N7 Ni O8 ZnC 1 2/c 118.853; 18.337; 16.409
90; 90.05; 90		5673Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514822 CIFC19 H37 Cl N8 Ni O8 ZnP 18.5274; 12.4106; 13.0776
98.754; 96.004; 90.074		1360.17Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514823 CIFC110 H150 B2 Cl2 N18 Ni2 O16 Zn2P -111.7327; 15.5512; 17.9328
67.784; 71.146; 77.96		2852.6Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514824 CIFC61 H89 B N7 Ni O6.5 ZnP -111.9784; 19.7901; 26.294
104.912; 91.396; 98.3		5947.7Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514825 CIFC77 H100 B N7 Ni O6 P ZnP 1 21/c 121.7065; 13.6234; 24.045
90; 90.533; 90		7110.2Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514826 CIFC55 H74 B N7 Ni O5 ZnP 1 21/c 117.2117; 12.9449; 24.7109
90; 101.43; 90		5396.5Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514827 CIFC57 H72 N14 O15P -114.1445; 14.338; 16.719
86.271; 81.687; 61.358		2944.5Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.
Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas
Chemical Science, 2013, 4, 103
1514828 CIFC38 H33 Co F9 N8 O6 S2C 1 2/c 123.898; 15.593; 23.95
90; 109.468; 90		8414.5Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.
Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers
Chemical Science, 2013, 4, 118
1514829 CIFC63 H65 Au2 Cl2 F6 N O10 P2 S2P -112.9063; 14.0711; 20.7385
101.178; 99.806; 113.143		3268.15Weber, Dieter; Gagné, Michel R
σ-π-Diauration as an alternative binding mode for digold intermediates in gold(i) catalysis.
Chemical science (Royal Society of Chemistry : 2010), 2013, 47, 335-338
1514830 CIFC20 H18 Fe O4 SiP 1 21 17.151; 29.386; 9.6851
90; 100.773; 90		1999.4Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun
Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle
Chemical Science, 2013, 4, 238

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