Crystallography Open Database

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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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