Crystallography Open Database

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1557627 CIFC3.5 H1.5 N0.5 O Ti0.17P a -321.1222; 21.1222; 21.1222
90; 90; 90
9423.6Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang
Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity
Chemical Science, 2020, 11, 3978-3985
1557628 CIFC H N O TiP a -321.1205; 21.1205; 21.1205
90; 90; 90
9421.3Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang
Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity
Chemical Science, 2020, 11, 3978-3985
1557633 CIFC26 H10 B Br F15 NP -17.3; 11.867; 15.598
78.16; 80.45; 88.78
1304.1Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi
Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions
Chemical Science, 2020, 11, 4305-4311
1557634 CIFC26 H37 N3 OP 1 21/n 19.6311; 19.6619; 13.541
90; 106.977; 90
2452.5Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.
Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
Chemical Science, 2020, 11, 3820-3828
1557635 CIFC73 H76 Cl2 N10 O4C 1 2/c 133.136; 6.8671; 30.967
90; 100.031; 90
6938.8Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.
Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
Chemical Science, 2020, 11, 3820-3828
1557636 CIFC21 H27 N3 O12 TbP -110.4608; 10.9006; 12.5293
104.61; 107.84; 97.204
1283.78Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend
Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks
Chemical Science, 2020, 11, 4164-4170
1557637 CIFC11 H10 N O7 TbP 1 21/n 113.388; 6.6366; 15.567
90; 98.599; 90
1367.6Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend
Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks
Chemical Science, 2020, 11, 4164-4170
1557638 CIFC15 H11 N O2 S2P 1 21/c 15.9915; 29.952; 7.8574
90; 95.092; 90
1404.5Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng
Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides
Chemical Science, 2020, 11, 3903-3908
1557639 CIFC18 H15 O3 S2P -19.234; 9.723; 10.6174
99.463; 113.869; 105.929
796.06Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng
Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides
Chemical Science, 2020, 11, 3903-3908
1557640 CIFC30 H27 Br O3 S2P 1 21 123.8898; 6.7617; 24.8099
90; 102.215; 90
3916.95Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng
Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides
Chemical Science, 2020, 11, 3903-3908
1557644 CIFC112 H192 In26 Mn4 N32 S51I 41/a :222.436; 22.436; 38.165
90; 90; 90
19211Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao
Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters
Chemical Science, 2020, 11, 4085-4096
1557645 CIFC112 H192 Fe4 In26 N32 O0 S51I 41/a :222.329; 22.329; 38.059
90; 90; 90
18976Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao
Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters
Chemical Science, 2020, 11, 4085-4096
1557646 CIFC19 H19 Br O5P -18.9606; 9.9217; 11.8105
72.29; 88.75; 63.972
891.12Zhao, Qiang; Jin, Ji-Kang; Wang, Jie; Zhang, Feng-Lian; Wang, Yi-Feng
Radical α-addition involved electrooxidative [3 + 2] annulation of phenols and electron-deficient alkenes
Chemical Science, 2020, 11, 3909-3913
1557647 CIFC54 H72 Fe3 Ho Li3 O6P 1 21/c 111.3991; 63.596; 13.7285
90; 92.383; 90
9943.7Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557648 CIFC54 H72 Fe3 Gd Li3 O6P 1 21/c 111.3774; 63.872; 13.7293
90; 92.491; 90
9967.6Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557649 CIFC54 H72 Fe3 Li3 O6 YbP 1 21/c 111.4155; 63.489; 13.73
90; 92.17; 90
9943.8Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557650 CIFC60 H84 Fe3 Ho Li3 O6P 1 21/n 111.3389; 13.7172; 36.2329
90; 95.344; 90
5611.1Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557651 CIFC64.38 H58.38 Fe3 Ho Li3 N6.88P 21 21 2121.206; 22.6446; 23.1321
90; 90; 90
11108.1Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557652 CIFC54 H72 Fe3 Li3 Lu O6P 1 21/c 111.4149; 63.246; 13.743
90; 92.282; 90
9914Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557653 CIFC54 H72 Fe3 Li3 O6 TmP 1 21/c 111.4199; 63.606; 13.7467
90; 92.28; 90
9977Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557654 CIFC54 H72 Er Fe3 Li3 O6P 1 21/c 111.4007; 63.598; 13.7293
90; 92.262; 90
9946.8Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557655 CIFC58 H80 Fe3 Li3 Lu O7I 1 a 120.62; 32.856; 25.081
90; 104.923; 90
16419Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557656 CIFC58 H80 Fe3 Li3 O7 YbC 1 c 128.077; 32.756; 20.619
90; 120.475; 90
16343Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557674 CIFC12 H18 OP -16.2162; 12.5583; 20.7881
92.381; 98.293; 100.115
1577.16Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando
Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways
Chemical Science, 2020, 11, 4209-4220
1557675 CIFC19 H24 N2 O6P 1 21/c 119.54; 8.3364; 11.3992
90; 95.016; 90
1849.7Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando
Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways
Chemical Science, 2020, 11, 4209-4220
1557676 CIFC19 H34 O SiP 1 21/c 123.4244; 6.2336; 13.0105
90; 90.557; 90
1899.68Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando
Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways
Chemical Science, 2020, 11, 4209-4220
1557677 CIFC12 H18 OI 41/a :222.3413; 22.3413; 8.6532
90; 90; 90
4319.1Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando
Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways
Chemical Science, 2020, 11, 4209-4220
1557678 CIFC20 H23 Br O2P n a 2111.4263; 19.625; 15.7208
90; 90; 90
3525.25Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando
Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways
Chemical Science, 2020, 11, 4209-4220
1557679 CIFC62 H114 Fe N4 Na4 Zn4C 1 2/c 127.395; 44.055; 14.5103
90; 100.575; 90
17215Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.
A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity
Chemical Science, 2020, 11, 6510-6520
1557680 CIFC39 H42 N7 Na ZnP 21 21 218.8556; 17.4144; 23.9796
90; 90; 90
3698.01Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.
A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity
Chemical Science, 2020, 11, 6510-6520
1557681 CIFC68 H110 Fe N4 Na4 Zn4P 1 21/c 114.895; 26.966; 18.622
90; 111.871; 90
6941.3Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.
A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity
Chemical Science, 2020, 11, 6510-6520
1557682 CIFC55 H102 Fe N6 Na2 Zn2P -112.9797; 15.0261; 15.9756
99.482; 90.798; 99.459
3028.7Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.
A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity
Chemical Science, 2020, 11, 6510-6520
1557687 CIFC26 H39 F3 N3 O3 SP 1 21/c 111.3959; 8.8582; 26.7626
90; 91.58; 90
2700.58Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik
Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation
Chemical Science, 2020, 11, 4138-4149
1557688 CIFC26 H39 F3 N3 O3 SP 1 21/n 114.9305; 11.67; 16.4062
90; 109.508; 90
2694.5Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik
Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation
Chemical Science, 2020, 11, 4138-4149
1557695 CIFC24 H23 N OP 1 21/c 111.129; 9.485; 18.178
90; 90.821; 90
1918.6Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.
Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines
Chemical Science, 2020, 11, 7619-7625
1557696 CIFC25 H26 N2 OP 1 21/c 110.9067; 9.988; 18.4338
90; 94.55; 90
2001.78Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.
Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines
Chemical Science, 2020, 11, 7619-7625
1557708 CIFC19 H19 N O2P 1 21/c 110.8161; 8.4185; 16.7407
90; 97.266; 90
1512.09Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A.
Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights
Chemical Science, 2020, 11, 4131-4137
1557732 CIFC53 H39 N5 O2 SP -110.3043; 10.5271; 21.1147
88.634; 86.866; 70.331
2153.5Lv, Chunyan; Liu, Wangwang; Luo, Qing; Yi, Haiyan; Yu, Huakang; Yang, Zhongmin; Zou, Bo; Zhang, Yujian
A highly emissive AIE-active luminophore exhibiting deep-red to near-infrared piezochromism and high-quality lasing
Chemical Science, 2020, 11, 4007-4015
1557737 CIFC114 H810 Mo132 N46 O708 S2R -3 :H32.6262; 32.6262; 73.225
90; 90; 120
67503Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy
Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics
Chemical Science, 2020, 11, 2388-2393
1557738 CIFC120 H806 Mo132 N48 O676 S3R -3 :H32.3898; 32.3898; 72.8225
90; 90; 120
66162.6Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy
Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics
Chemical Science, 2020, 11, 2388-2393
1557739 CIFC120 H926 Mo132 N48 O736 S3R -3 :H32.4465; 32.4465; 72.887
90; 90; 120
66453.3Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy
Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics
Chemical Science, 2020, 11, 2388-2393
1557747 CIFC44 H96 Ca2 Cl N6 O36 V12P 1 21/c 110.6954; 29.2218; 28.2691
90; 95.3952; 90
8796.1Greiner, Simon; Schwarz, Benjamin; Ringenberg, Mark; Dürr, Maximilian; Ivanovic-Burmazovic, Ivana; Fichtner, Maximilian; Anjass, Montaha; Streb, Carsten
Redox-inactive ions control the redox-activity of molecular vanadium oxides
Chemical Science, 2020, 11, 4450-4455
1557749 CIFC27 H27 Cl4 F3 N2 PdP 21 21 217.3222; 16.3645; 22.9119
90; 90; 90
2745.4Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon
Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands
Chemical Science, 2020, 11, 4602-4607
1557750 CIFC20 H22 O2C 1 2 123.2747; 6.7781; 10.2443
90; 91.9349; 90
1615.2Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon
Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands
Chemical Science, 2020, 11, 4602-4607
1557760 CIFC6 H11 S3 SbP 1 21/n 17.5797; 9.1057; 27.371
90; 95.218; 90
1881.3Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.
Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents
Chemical Science, 2020, 11, 4374-4380
1557761 CIFC71 H53 B Cl2 F20 N2P -113.2446; 13.7731; 20.2266
94.923; 102.959; 114.918
3192.4Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay
SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes
Chemical Science, 2020, 11, 7615-7618
1557762 CIFC35 H21 B F20 N2P 1 21 18.40488; 18.0272; 11.0843
90; 91.4773; 90
1678.9Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay
SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes
Chemical Science, 2020, 11, 7615-7618
1557763 CIFC52 H39 B Cl2 F20 N2P -112.4784; 12.6328; 17.6483
69.366; 84.7909; 78.9069
2554.12Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay
SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes
Chemical Science, 2020, 11, 7615-7618
1557764 CIFC64 H39 B F20 N2P b c a18.0482; 18.05071; 34.8012
90; 90; 90
11337.6Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay
SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes
Chemical Science, 2020, 11, 7615-7618
1557765 CIFC12 Bi2 N12 S12 Zn3C 1 2/c 126.3104; 8.4587; 15.7403
90; 93.63; 90
3496Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.
The structures of ordered defects in thiocyanate analogues of Prussian Blue
Chemical Science, 2020, 11, 4430-4438
1557766 CIFC12 Bi2 N12 S12 Zn3P 1 21/c 117.7331; 13.6501; 16.4375
90; 114.397; 90
3623.55Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.
The structures of ordered defects in thiocyanate analogues of Prussian Blue
Chemical Science, 2020, 11, 4430-4438
1557767 CIFC7 H14 Bi Mn2 N7 O7 S7P 1 21/n 18.3065; 25.8428; 12.2664
90; 90.2358; 90
2633.12Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.
The structures of ordered defects in thiocyanate analogues of Prussian Blue
Chemical Science, 2020, 11, 4430-4438
1557768 CIFC36 H76 Bi6 Co9 N36 O38 S36P -112.0209; 12.1613; 23.8319
94.2; 94.003; 91.452
3464.52Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.
The structures of ordered defects in thiocyanate analogues of Prussian Blue
Chemical Science, 2020, 11, 4430-4438
1557769 CIFC30 H74 Bi5 N33 Ni6 O16 S30P -111.8567; 11.8653; 18.3824
84.0731; 76.714; 85.1942
2498.6Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.
The structures of ordered defects in thiocyanate analogues of Prussian Blue
Chemical Science, 2020, 11, 4430-4438
1557770 CIFC7 H14 Bi Mn2 N7 O7 S7P 1 21/n 18.3698; 26.0037; 12.2466
90; 91.208; 90
2664.83Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.
The structures of ordered defects in thiocyanate analogues of Prussian Blue
Chemical Science, 2020, 11, 4430-4438
1557790 CIFC43 H39 B F4 N2 O2P 1 21/c 114.502; 12.866; 20.32
90; 106.828; 90
3629Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong
One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens
Chemical Science, 2020, 11, 4730-4740
1557811 CIFC35 H33 N O4F 2 d d8.4764; 33.008; 40.934
90; 90; 90
11453Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca
A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles
Chemical Science, 2020, 11, 6532-6538
1557826 CIFC120 H56 Dy2 N4 Ni OP -114.3857; 14.7255; 19.1301
84.837; 88.064; 61.889
3559.7Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.
Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle
Chemical Science, 2020, 11, 4766-4772
1557827 CIFC117 H50 Dy2 N4 Ni O S2P 1 21/c 117.914; 16.589; 25.753
90; 106.775; 90
7327.5Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.
Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle
Chemical Science, 2020, 11, 4766-4772
1557828 CIFC82 H88 N14 O12P -110.5727; 12.998; 15.4783
104.398; 102.401; 109.792
1831.32Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.
Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles
Chemical Science, 2020, 11, 5650-5657
1557829 CIFC86 H88 N14 O4P 1 21/n 116.711; 12.6971; 18.2586
90; 99.327; 90
3822.9Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.
Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles
Chemical Science, 2020, 11, 5650-5657
1557830 CIFC78 H92 N14 O6C 1 2/c 112.761; 17.133; 31.684
90; 93.976; 90
6911Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.
Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles
Chemical Science, 2020, 11, 5650-5657
1557831 CIFC4 H4 N2 O2P n m a11.866; 11.883; 6.3933
90; 90; 90
901.5Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.
Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles
Chemical Science, 2020, 11, 5650-5657
1557832 CIFC82 H92 N10 O8R -3 :H43.6284; 43.6284; 10.7942
90; 90; 120
17793.4Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.
Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles
Chemical Science, 2020, 11, 5650-5657
1557833 CIFC53 H52 N6 O7P 1 21/c 110.9587; 59.0761; 22.009
90; 101.952; 90
13939.7Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.
Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles
Chemical Science, 2020, 11, 5650-5657
1557834 CIFC208.5 H180 Fe8 N12P -119.2992; 19.3512; 27.206
105.998; 90.079; 119.907
8348.1Cook, Andrew W.; Bocarsly, Joshua D.; Lewis, Richard A.; Touchton, Alexander J.; Morochnik, Simona; Hayton, Trevor W.
An iron ketimide single-molecule magnet [Fe4(NCPh2)6] with suppressed through-barrier relaxation
Chemical Science, 2020, 11, 4753-4757
1557836 CIFC26 H43 Al I2 N2P 1 21/n 110.145; 17.053; 17.044
90; 102.029; 90
2883.9Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Chemical Science, 2020, 11, 4817-4827
1557837 CIFC58 H100 Al2 N4 O1.79C 1 2/c 136.035; 15.3951; 21.8876
90; 104.19; 90
11771.9Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Chemical Science, 2020, 11, 4817-4827
1557838 CIFC72 H102 Al2 N4P 1 2/c 113.5339; 13.5131; 18.1559
90; 100.481; 90
3265Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Chemical Science, 2020, 11, 4817-4827
1557839 CIFC70 H104 Al2 N6C 1 2/c 121.6994; 15.8898; 20.777
90; 90.177; 90
7163.9Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Chemical Science, 2020, 11, 4817-4827
1557840 CIFC54 H90 Al2 N4P 1 21/c 112.4062; 18.1378; 24.62
90; 101.846; 90
5422Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Chemical Science, 2020, 11, 4817-4827
1557841 CIFC55 H93 Al2 N4C 1 2/c 135.126; 15.4352; 21.8147
90; 109.512; 90
11148.2Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Chemical Science, 2020, 11, 4817-4827
1557864 CIFC44 H59 In N2 O SP 1 21/c 118.3672; 14.0583; 17.9736
90; 118.814; 90
4066.4Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
Chemical Science, 2020, 11, 6485-6491
1557865 CIFC44 H59 In N2 O2P 1 21/c 117.5732; 13.8493; 18.4226
90; 117.891; 90
3962.8Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
Chemical Science, 2020, 11, 6485-6491
1557866 CIFC46 H61 In N2 OP 1 21/n 118.402; 13.9008; 18.4542
90; 119.051; 90
4126.7Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
Chemical Science, 2020, 11, 6485-6491
1557867 CIFC45 H60 In N3 OP 1 21/c 118.3804; 13.9887; 18.328
90; 119.839; 90
4087.7Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
Chemical Science, 2020, 11, 6485-6491
1557868 CIFC88 H92 B F24 In N2 O6P -112.616; 13.343; 26.255
80.163; 76.369; 85.869
4229.7Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
Chemical Science, 2020, 11, 6485-6491
1557869 CIFC14 H17 Br O4P b c n21.874; 15.366; 8.915
90; 90; 90
2996.5Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557870 CIFC26 H25 Cl8 N O4 SbP 1 21/n 111.6398; 18.4868; 16.2027
90; 109.07; 90
3295.2Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557871 CIFC26 H25 Cl2 N O4P b c a18.383; 13.3271; 20.1022
90; 90; 90
4924.9Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557872 CIFC32 H33 F6 N O4P -110.089; 11.8293; 13.7884
97.567; 107.754; 95.274
1538.29Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557873 CIFC28 H31 N O6P 1 21/c 110.3036; 18.9257; 13.0352
90; 94.843; 90
2532.8Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557874 CIFC28 H25 F6 N O4P 1 21/n 111.7241; 12.3047; 18.3432
90; 100.077; 90
2605.4Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557875 CIFC30 H33 Cl2 N O4P -111.84; 14.543; 18.231
97.047; 105.059; 102.364
2907.7Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557876 CIFC30 H33 Cl8 N O4 SbP 1 21/n 112.156; 15.548; 19.482
90; 90.77; 90
3681.8Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557898 CIFC12 H28 B Co F4 N5 O2P b c a13.0883; 14.8329; 19.5325
90; 90; 90
3791.99Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj
Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution
Chemical Science, 2020, 11, 5037-5042
1557899 CIFC76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2P -110.5566; 14.6779; 14.7391
109.074; 108.271; 97.907
1974.9Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don
Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates
Chemical Science, 2020, 11, 5043-5051
1557900 CIFC30 H26 F3 N3 OP 1 21/n 114.0809; 10.9917; 17.1659
90; 108.846; 90
2514.4Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557901 CIFC42 H34 F9 N OP c c n37.632; 14.8891; 13.0219
90; 90; 90
7296.3Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557902 CIFC34 H42 N2 O2P -113.5226; 14.169; 17.1029
103.45; 107.34; 103.234
2881Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557903 CIFC43 H35 F9 N2 OP -19.7571; 10.1037; 19.23
86.6; 88.612; 81.412
1870.97Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557904 CIFC31 H42 N2 O4P 1 21/n 112.9747; 12.3749; 17.7595
90; 101.948; 90
2789.71Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557905 CIFC32 H40 N2 O2P 1 21/n 110.4974; 24.3; 11.3737
90; 109.196; 90
2739.97Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557906 CIFC31 H39 N3 O2P -18.974; 11.737; 14.0121
113.955; 97.7538; 91.349
1331.4Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557907 CIFC29 H37 N3 O2P b c a16.4161; 12.4001; 25.3104
90; 90; 90
5152.2Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Chemical Science, 2020, 11, 7672-7675
1557908 CIFC38 H32 Cd N6 O6 S3P c c a19.0673; 26.1197; 15.5005
90; 90; 90
7719.7Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.
Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy
Chemical Science, 2020, 11, 5213-5220
1557909 CIFC26 H16 N4 S2P -15.665; 7.55; 22.845
80.52; 86.53; 88.94
962Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.
Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy
Chemical Science, 2020, 11, 5213-5220
1557923 CIFC44 H30P -19.9378; 9.9882; 17.7699
93.791; 94.905; 98.931
1730.4Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc
Expedient synthesis of conjugated triynes via alkyne metathesis
Chemical Science, 2020, 11, 4934-4938
1557924 CIFC43 H31 Cl3 Si2P 1 21/n 110.4193; 21.2154; 17.2115
90; 99.801; 90
3749.1Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc
Expedient synthesis of conjugated triynes via alkyne metathesis
Chemical Science, 2020, 11, 4934-4938
1557925 CIFC34 H36 SiP -18.5423; 10.4335; 16.821
76.313; 77.803; 83.761
1421Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc
Expedient synthesis of conjugated triynes via alkyne metathesis
Chemical Science, 2020, 11, 4934-4938

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