Crystallography Open Database

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7223522 CIFC122 H130 Dy2 N4 Ni2 O24R -338.159; 38.159; 18.7654
90; 90; 120
23664Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.
Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects
CrystEngComm, 2016, 18, 704
7223647 CIFC42 H24 Cd6 Cl6 N24 O2R -321.4709; 21.4709; 11.969
90; 90; 120
4778.5Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong
A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)
CrystEngComm, 2016, 18, 938
7223648 CIFC42 H24 Cd6 I6 N24 OR -322.0601; 22.0601; 11.9194
90; 90; 120
5023.4Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong
A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)
CrystEngComm, 2016, 18, 938
7225182 CIFC144 H156 Co12 N12 O60R -328.6873; 28.6873; 15.9087
90; 90; 120
11338.2Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
Transition metal coordination complexes of chrysazin
CrystEngComm, 2016, 18, 5121
7225186 CIFC29.33 H15.11 Cu2 N0.44 O8.44R -340.04; 40.04; 3.674
90; 90; 120
5101Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
Transition metal coordination complexes of chrysazin
CrystEngComm, 2016, 18, 5121
7225190 CIFC144 H156 N12 Ni12 O60R -328.6809; 28.6809; 15.8967
90; 90; 120
11324.6Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
Transition metal coordination complexes of chrysazin
CrystEngComm, 2016, 18, 5121
7225950 CIFC8 H7 N3 O2R -324.304; 24.304; 6.8579
90; 90; 120
3508.1Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
Green Chem., 2016, 18, 4623
7227333 CIFC14 H18 Cl N3 O SeR -325.4682; 25.4682; 12.316
90; 90; 120
6918.3Fang, Yi; Zhu, Zheng-Lin; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun
Aerobic radical-cascade cycloaddition of isocyanides, selenium and imidamides: facile access to 1,2,4-selenadiazoles under metal-free conditions
Green Chem., 2017, 19, 1613
7227487 CIFC24 H45 N12 Ni2 O42 Si W11R -349.6795; 49.6795; 23.7404
90; 90; 120
50743Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min
A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid
CrystEngComm, 2017, 19, 1721
7228352 CIFC96 H120 Au2 Cu6 P2 S6R -320.9938; 20.9938; 18.1449
90; 90; 120
6925.8Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou
Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering
RSC Adv., 2017, 7, 28606
7228399 CIFC26 H32 N6 S2R -337.196; 37.196; 5.4457
90; 90; 120
6524.9Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui
Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules
Phys. Chem. Chem. Phys., 2017
7228692 CIFC97 H144 N6 O44 Tb6R -326.742; 26.742; 78.391
90; 90; 120
48549li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle
A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties
CrystEngComm, 2017
7228693 CIFC97 H144 Gd6 N6 O44R -326.842; 26.842; 78.271
90; 90; 120
48838li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle
A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties
CrystEngComm, 2017
7228853 CIFC78 H66 Cd3 N12 O20 P2R -316.783; 16.783; 30.325
90; 90; 120
7397Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping
Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation
CrystEngComm, 2017
7229514 CIFC14 H20 As0.67 Cu Mo6 N12 O20.67R -325.3114; 25.3114; 14.3685
90; 90; 120
7972.1Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; Wang, Bo
A novel 3D POMOFs based on Wells-Dawson arsenomolybdates with excellent photocatalytic and lithium-ion batteries performance
CrystEngComm, 2017
7230210 CIFC41 H59.33 O12.67R -333.6175; 33.6175; 20.9185
90; 90; 120
20473Payne, Richard M.; Oliver, Clive L.
A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption
CrystEngComm, 2018
7230395 CIFC27 H39 Mo12 O40 P S3R -320.3393; 20.3393; 23.9935
90; 90; 120
8596Kumar, Ashwani; Pradeep, Chullikkattil P.
Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety
CrystEngComm, 2018
7230396 CIFC27 H39 Mo12 O43 P S3R -320.1657; 20.1657; 24.1757
90; 90; 120
8514.1Kumar, Ashwani; Pradeep, Chullikkattil P.
Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety
CrystEngComm, 2018
7230656 CIFC16 H13 N O4 ZnR -341.74; 41.74; 9.9584
90; 90; 120
15025Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming
Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification
CrystEngComm, 2018
7230657 CIFC48 H39 N3 O12 Zn3R -342.4897; 42.4897; 10.4
90; 90; 120
16260.4Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming
Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification
CrystEngComm, 2018
7230864 CIFC6 H36 Cd3 I Mo3 N18 Re3 Se8R -315.3596; 15.3596; 15.3897
90; 90; 120
3144.3Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.
Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)
CrystEngComm, 2018
7230865 CIFC6 H36 Cd3 Cl Mo3 N18 Re3 Se8R -315.0363; 15.0363; 15.3935
90; 90; 120
3014Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.
Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)
CrystEngComm, 2018
7230866 CIFC6 H36 Br Cd3 Mo3 N18 Re3 Se8R -315.2258; 15.2258; 15.3834
90; 90; 120
3088.5Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.
Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)
CrystEngComm, 2018
7231530 CIFC20 H14 Cu N4 O4R -318.8612; 18.8612; 17.5446
90; 90; 120
5405.21Behera, Jogendra Nath; Tiwari, Ranjay K.
Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching
CrystEngComm, 2018
7232360 CIFC14 H16 N2 O8 Zn2R -326.001; 26.001; 6.8271
90; 90; 120
3997.1Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell
A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release
CrystEngComm, 2019
7232361 CIFC8 H6 Mg2 O8R -325.9434; 25.9434; 6.8189
90; 90; 120
3974.6Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell
A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release
CrystEngComm, 2019
7232646 CIFC15 H16 N4 Ni O3R -330.9603; 30.9603; 11.4869
90; 90; 120
9535.5Angamuthu, Raja; Raje, Sakthi
Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride
Green Chemistry, 2019
7700035 CIFC44 H60 Mn4 N16 O8R -332.5215; 32.5215; 14.0934
90; 90; 120
12908.8Das, Avijit; Chakraborty, Maharudra; Maity, Souvik; Ghosh, Ashutosh
The catalytic activities and magnetic behaviours of a μ3-chlorido and a μ1,1,1-azido bridged rare defective dicubane tetranuclear Mn(II) complexes
Dalton Transactions, 2019

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