Crystallography Open Database

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Searching journal of publication like 'Catalysis science & technology'

COD ID: 1513596
CIF file Formula: - C17 H26 F6 Fe N4 O6 S2 -
Comments: Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M. Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4 Catalysis Science & Technology 4(3) (2014) 708
Space group: P 21 21 21
Cell volume: 2490.9
Cell parameters: 8.9413; 15.7005; 17.7436; 90; 90; 90;  

COD ID: 1513597
CIF file Formula: - C13 H14 N4 O5 -
Comments: Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology 4(3) (2014) 822
Space group: P -1
Cell volume: 869.2
Cell parameters: 8.964; 9.189; 11.432; 69.34; 89.43; 80.99;  

COD ID: 1513598
CIF file Formula: - C20 H15 N2 O7 -
Comments: Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology 4(3) (2014) 822
Space group: P -1
Cell volume: 984.1
Cell parameters: 7.8507; 8.48; 15.77; 96.715; 90.412; 109.096;  

COD ID: 1513599
CIF file Formula: - C22 H22 N4 O7 -
Comments: Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology 4(3) (2014) 822
Space group: P -1
Cell volume: 1098.7
Cell parameters: 8.549; 11.18; 12.73; 91.165; 104.363; 110.189;  

COD ID: 1513600
CIF file Formula: - C22 H30 F6 Mn N4 O7 S2 -
Comments: Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E. Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins Catalysis Science & Technology 4(1) (2014) 208
Space group: P 21 21 21
Cell volume: 2967.8
Cell parameters: 9.3603; 17.4152; 18.206; 90; 90; 90;  

COD ID: 1513601
CIF file Formula: - C22 H30 F6 Mn N4 O7 S2 -
Comments: Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E. Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins Catalysis Science & Technology 4(1) (2014) 208
Space group: P 21 21 21
Cell volume: 2956.5
Cell parameters: 9.3527; 17.384; 18.184; 90; 90; 90;  

COD ID: 1513602
CIF file Formula: - C38 H65 Cl N2 O3 Rh Si -
Comments: Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A. Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation Catalysis Science & Technology 4(1) (2014) 62
Space group: P -1
Cell volume: 2023.8
Cell parameters: 10.2529; 12.602; 16.39; 73.082; 87.303; 89.419;  

COD ID: 1513603
CIF file Formula: - C36 H48 Cl4 Fe2 N8 O23 -
Comments: Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies Catalysis Science & Technology 4(1) (2014) 30
Space group: P -1
Cell volume: 9969
Cell parameters: 11.754; 28.117; 30.475; 84.09; 84.78; 87.29;  

COD ID: 1513604
CIF file Formula: - C27 H22 Cl3 N6 O6 Ru -
Comments: Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology 4(1) (2014) 190
Space group: P b c a
Cell volume: 5688.6
Cell parameters: 19.3405; 11.3692; 25.8709; 90; 90; 90;  

COD ID: 1513605
CIF file Formula: - C268 H204 Cl4 F96 N48 P16 Ru8 -
Comments: Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology 4(1) (2014) 190
Space group: P 1 21/n 1
Cell volume: 39083
Cell parameters: 26.0256; 52.12; 28.8286; 90; 91.92; 90;  

COD ID: 1514273
CIF file Formula: - C55 H55 Cl2 N2 P Pd -
Comments: Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M. Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media Catalysis Science & Technology 4(5) (2014) 1456
Space group: P 1 21 1
Cell volume: 4880
Cell parameters: 12.669; 12.248; 31.45; 90; 90.014; 90;  

COD ID: 1514340
CIF file Formula: - C8 H18 O4 Si2 -
Comments: Feghali, Elias; Jacquet, Olivier; Thuéry, Pierre; Cantat, Thibault Catalytic hydrosilylation of oxalic acid: chemoselective formation of functionalized C2-products Catalysis Science & Technology 4(8) (2014) 2230
Space group: P 1 21/n 1
Cell volume: 1362.08
Cell parameters: 10.5425; 11.9183; 11.4221; 90; 108.364; 90;  

COD ID: 1514374
CIF file Formula: - C13 H12 N2 O4 Pd -
Comments: Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology 4(8) (2014) 2526
Space group: P n a 21
Cell volume: 1260.88
Cell parameters: 10.919; 23.8725; 4.8372; 90; 90; 90;  

COD ID: 1514375
CIF file Formula: - C12 H12 N2 O5 Pd S -
Comments: Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology 4(8) (2014) 2526
Space group: P 1 21/c 1
Cell volume: 2760.2
Cell parameters: 19.681; 7.1866; 20.443; 90; 107.332; 90;  

COD ID: 1515395
CIF file Formula: - C22 H28 N2 O9 Zn -
Comments: Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology 4(6) (2014) 1658
Space group: P 1 21/n 1
Cell volume: 4884.2
Cell parameters: 15.8662; 13.3414; 23.2173; 90; 96.374; 90;  

COD ID: 1515396
CIF file Formula: - C22 H26 N4 O5 S Zn -
Comments: Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology 4(6) (2014) 1658
Space group: P 1 21/c 1
Cell volume: 2405.38
Cell parameters: 10.7526; 11.5952; 19.6353; 90; 100.72; 90;  

COD ID: 1515397
CIF file Formula: - C20 H20 Cl2 N4 O5 S Zn -
Comments: Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology 4(6) (2014) 1658
Space group: P 1 21/c 1
Cell volume: 2309.1
Cell parameters: 10.9276; 11.7495; 18.1519; 90; 97.784; 90;  

COD ID: 1515398
CIF file Formula: - C24 H30 Cl2 N2 O9 S Zn -
Comments: Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology 4(6) (2014) 1658
Space group: P 1 21/n 1
Cell volume: 2863
Cell parameters: 13.3344; 9.1475; 24.1887; 90; 103.983; 90;  

COD ID: 1515399
CIF file Formula: - C28 H42 N2 O10 S2 Zn -
Comments: Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology 4(6) (2014) 1658
Space group: P 1 21/c 1
Cell volume: 3274.3
Cell parameters: 7.8991; 26.6878; 15.6509; 90; 97.072; 90;  

COD ID: 1516026
CIF file Formula: - C25 H24 N2 P2 -
Comments: Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology 4(8) (2014) 2574
Space group: P 1 21/n 1
Cell volume: 2171.68
Cell parameters: 14.493; 10.329; 15.392; 90; 109.523; 90;  

COD ID: 1516027
CIF file Formula: - C32 H38 N2 P2 -
Comments: Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology 4(8) (2014) 2574
Space group: P -1
Cell volume: 1391.7
Cell parameters: 10.216; 10.318; 14.379; 79.664; 76.635; 71.842;  

COD ID: 1516028
CIF file Formula: - C30 H31 N O P2 -
Comments: Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology 4(8) (2014) 2574
Space group: P 1 21/n 1
Cell volume: 2551.3
Cell parameters: 8.608; 22.505; 13.765; 90; 106.913; 90;  

COD ID: 1516029
CIF file Formula: - C33.5 H34 Cl5 N O P2 Si Ti -
Comments: Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology 4(8) (2014) 2574
Space group: P 1 21 1
Cell volume: 3581.6
Cell parameters: 11.53; 15.337; 20.85; 90; 103.737; 90;  

COD ID: 1516030
CIF file Formula: - C30 H25 N O P2 -
Comments: Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology 4(8) (2014) 2574
Space group: P -1
Cell volume: 1202.4
Cell parameters: 8.701; 10.666; 13.938; 70.248; 84.203; 81.578;  

COD ID: 1516123
CIF file Formula: - C21 H20 F3 N O2 -
Comments: Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology 4(6) (2014) 1570
Space group: P -1
Cell volume: 940.68
Cell parameters: 6.186; 9.6029; 16.4251; 77.495; 80.955; 87.557;  

COD ID: 1516124
CIF file Formula: - C21 H23 N O2 -
Comments: Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology 4(6) (2014) 1570
Space group: P -1
Cell volume: 901.49
Cell parameters: 7.7051; 10.8189; 11.1726; 75.918; 86.59; 87.802;  

COD ID: 1516125
CIF file Formula: - C31 H39 N5 O8 S2 Zn -
Comments: Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology 4(6) (2014) 1615
Space group: P 1 21/c 1
Cell volume: 3482.3
Cell parameters: 21.5392; 14.9764; 11.0367; 90; 102.006; 90;  

COD ID: 1516126
CIF file Formula: - C30 H40 I N3 O4 Zn -
Comments: Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology 4(6) (2014) 1615
Space group: P 1 21/c 1
Cell volume: 3037.3
Cell parameters: 20.7881; 19.8405; 7.4304; 90; 97.665; 90;  

COD ID: 1516127
CIF file Formula: - C46 H64 Cl6 N6 O7 Zn -
Comments: Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology 4(6) (2014) 1615
Space group: P -1
Cell volume: 2771.6
Cell parameters: 11.5808; 12.8843; 18.9944; 78.363; 87.683; 87.378;  

COD ID: 1516128
CIF file Formula: - C92 H126 Cl3 Cr2 Li N2 O5 -
Comments: Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology 4(6) (2014) 1547
Space group: P 31 2 1
Cell volume: 7892
Cell parameters: 18.945; 18.945; 25.39; 90; 90; 120;  

COD ID: 1516136
CIF file Formula: - C78 H64 Cl2 O2 P4 Rh2 -
Comments: Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol. 4(10) (2014) 3409
Space group: C 1 2/m 1
Cell volume: 9810.1
Cell parameters: 29.9133; 18.7802; 19.2461; 90; 114.861; 90;  

COD ID: 1516137
CIF file Formula: - C50 H47 Cl O2 P2 Rh -
Comments: Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol. 4(10) (2014) 3409
Space group: P -1
Cell volume: 1985.2
Cell parameters: 10.1367; 10.1518; 21.075; 93.865; 102.017; 108.917;  

COD ID: 1516155
CIF file Formula: - C24 H46 Al4 N2 O2 -
Comments: Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology 4(9) (2014) 3025
Space group: P -1
Cell volume: 761.67
Cell parameters: 7.361; 10.0951; 10.6561; 103.037; 95.097; 96.205;  

COD ID: 1516156
CIF file Formula: - C22 H38 Al4 N2 O2 -
Comments: Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology 4(9) (2014) 3025
Space group: P 1 21/n 1
Cell volume: 1354.17
Cell parameters: 8.751; 15.3173; 10.1026; 90; 90.1329; 90;  

COD ID: 1516157
CIF file Formula: - C31 H54 Al4 N2 O2 -
Comments: Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology 4(9) (2014) 3025
Space group: P 1 21/n 1
Cell volume: 1859.98
Cell parameters: 7.1092; 21.245; 12.33; 90; 92.839; 90;  

COD ID: 1516520
CIF file Formula: - C27 H26 Cr F3 N4 O5 -
Comments: Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E. Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides Catalysis Science & Technology 4(6) (2014) 1652
Space group: P 1 21/c 1
Cell volume: 2595.1
Cell parameters: 12.2189; 13.6109; 15.9826; 90; 102.501; 90;  

COD ID: 1516521
CIF file Formula: - C28 H33 Cl Cr N5 O4 -
Comments: Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E. Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides Catalysis Science & Technology 4(6) (2014) 1652
Space group: P 1 21/n 1
Cell volume: 2706.73
Cell parameters: 9.8802; 14.1274; 19.4439; 90; 94.197; 90;  

COD ID: 1516575
CIF file Formula: - C79 H68 B2 F24 N O P2 Rh Si -
Comments: Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol. 4(10) (2014) 3486
Space group: P -1
Cell volume: 4026.5
Cell parameters: 16.6243; 16.8939; 17.7667; 110.65; 107.187; 106.29;  

COD ID: 1516576
CIF file Formula: - C89 H77 B F24 O P3 Rh -
Comments: Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol. 4(10) (2014) 3486
Space group: P -1
Cell volume: 4416.68
Cell parameters: 12.9076; 17.803; 19.959; 87.9991; 74.6948; 87.0039;  

COD ID: 1517096
CIF file Formula: - C12 H12 Mo O5 -
Comments: Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol. 4(12) (2014) 4219
Space group: P 21 21 21
Cell volume: 1330.08
Cell parameters: 8.5556; 10.4982; 14.8086; 90; 90; 90;  

COD ID: 1517097
CIF file Formula: - C13 H14 Mo O5 -
Comments: Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol. 4(12) (2014) 4219
Space group: P b c a
Cell volume: 2709
Cell parameters: 10.3022; 11.1065; 23.6758; 90; 90; 90;  

COD ID: 1517098
CIF file Formula: - C20 H24 Mo O5 -
Comments: Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol. 4(12) (2014) 4219
Space group: P 21 21 21
Cell volume: 1953.77
Cell parameters: 7.417; 7.6621; 34.3794; 90; 90; 90;  

COD ID: 1517202
CIF file Formula: - C18 H24 Cl N O2 -
Comments: Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation Catal. Sci. Technol. 4(11) (2014) 3945
Space group: P 1 21 1
Cell volume: 1755.6
Cell parameters: 8.117; 7.669; 28.305; 90; 94.859; 90;  

COD ID: 1517270
CIF file Formula: - C61 H54 Cl4 N4 O2 P2 Zn2 -
Comments: Lippert, Cameron A.; Liu, Kun; Sarma, Moushumi; Parkin, Sean R.; Remias, Joseph E.; Brandewie, Christine M.; Odom, Susan A.; Liu, Kunlei Improving carbon capture from power plant emissions with zinc- and cobalt-based catalysts Catal. Sci. Technol. 4(10) (2014) 3620
Space group: P 21 21 21
Cell volume: 5589.23
Cell parameters: 12.4064; 17.4016; 25.8891; 90; 90; 90;  

COD ID: 1517301
CIF file Formula: - C48 H40 Br2 P2 Pd -
Comments: Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes Catalysis Science & Technology 4(8) (2014) 2626
Space group: P 21 21 21
Cell volume: 4149.5
Cell parameters: 11.5105; 14.3683; 25.09; 90; 90; 90;  

COD ID: 1517302
CIF file Formula: - C40.5 H43 Br2 O0.5 P2 Pd -
Comments: Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes Catalysis Science & Technology 4(8) (2014) 2626
Space group: P 1 21 1
Cell volume: 3967.1
Cell parameters: 12.1698; 12.3293; 26.72; 90; 98.314; 90;  

COD ID: 1517303
CIF file Formula: - C25 H26 Br2 Cl2 N O P Pd -
Comments: Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes Catalysis Science & Technology 4(8) (2014) 2626
Space group: P 1 21 1
Cell volume: 1349.8
Cell parameters: 10.2832; 12.9507; 10.9322; 90; 112.013; 90;  

COD ID: 1517441
CIF file Formula: - C23 H29 Ir N2 -
Comments: Forberg, Daniel; Obenauf, Johannes; Friedrich, Martin; Hühne, Sven-Martin; Mader, Werner; Motz, Günter; Kempe, Rhett The synthesis of pyrroles via acceptorless dehydrogenative condensation of secondary alcohols and 1,2-amino alcohols mediated by a robust and reusable catalyst based on nanometer-sized iridium particles Catal. Sci. Technol. 4(12) (2014) 4188
Space group: P -1
Cell volume: 1965.7
Cell parameters: 7.8138; 14.5845; 19.1054; 68.745; 87.157; 75.844;  

COD ID: 1517513
CIF file Formula: - C13 H11 F6 N4 P -
Comments: Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene; Cokoja, Mirza; Pöthig, Alexander; Raba, Andreas; Herrmann, Wolfgang A.; Fehrmann, Rasmus; Kühn, Fritz E. Efficient epoxidation of propene using molecular catalysts Catal. Sci. Technol. 4(11) (2014) 3845
Space group: P 1 21/m 1
Cell volume: 705.77
Cell parameters: 6.2172; 16.4455; 7.0797; 90; 102.836; 90;  

COD ID: 1517812
CIF file Formula: - C33 H30 Cl Co N4 O7 -
Comments: Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol. 5(1) (2015) 562
Space group: P -1
Cell volume: 1551.7
Cell parameters: 10.4178; 12.0725; 13.2955; 90.683; 110.55; 96.916;  

COD ID: 1517813
CIF file Formula: - C35 H33 Br Cl Co N4 O7 -
Comments: Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol. 5(1) (2015) 562
Space group: P -1
Cell volume: 1779.1
Cell parameters: 12.326; 12.7391; 13.0205; 62.534; 82.794; 79.008;  

COD ID: 1518337
CIF file Formula: - C75 H60 B Cl3 F24 Ir2 N2 -
Comments: Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C. Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles Catal. Sci. Technol. 5(3) (2015) 1452
Space group: P -1
Cell volume: 7588
Cell parameters: 19.0059; 21.9914; 22.092; 114.003; 107.666; 99.412;  

COD ID: 1518357
CIF file Formula: - C19 H21 N O2 S -
Comments: Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C. [Cp*Ru]-catalyzed selective coupling/hydrogenation Catal. Sci. Technol. 5(3) (2015) 1650
Space group: P 1 21/n 1
Cell volume: 1661.8
Cell parameters: 9.952; 15.043; 11.1; 90; 90.067; 90;  

COD ID: 1518406
CIF file Formula: - C28 H36 N2 P2 -
Comments: Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene Catal. Sci. Technol. 5(3) (2015) 1678
Space group: P -1
Cell volume: 2559.42
Cell parameters: 11.4796; 15.5902; 15.8639; 98.551; 106.145; 104.953;  

COD ID: 1518538
CIF file Formula: - C19 H33 Cl3 Fe N5 O3 -
Comments: Nesterov, Dmytro S.; Nesterova, Oksana V.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. Catalytic behaviour of a novel Fe(iii) Schiff base complex in the mild oxidation of cyclohexane Catal. Sci. Technol. 5(3) (2015) 1801
Space group: P -1
Cell volume: 1261.66
Cell parameters: 7.2528; 12.6837; 14.9215; 106.95; 99.766; 99.208;  

COD ID: 1518546
CIF file Formula: - C9 H5 F3 Mo O3 -
Comments: Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E. Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation Catal. Sci. Technol. 5(4) (2015) 2282
Space group: P 1
Cell volume: 253.356
Cell parameters: 6.453; 6.544; 6.7851; 107.752; 97.132; 107.192;  

COD ID: 1518547
CIF file Formula: - C6 H5 F3 Mo O3 -
Comments: Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E. Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation Catal. Sci. Technol. 5(4) (2015) 2282
Space group: C 1 2/c 1
Cell volume: 1570.87
Cell parameters: 20.5911; 6.9325; 12.3919; 90; 117.372; 90;  

COD ID: 1518673
CIF file Formula: - C33 H48 N2 O9 S -
Comments: Shen, Hongyun; Shen, Chao; Chen, Chao; Wang, Anming; Zhang, Pengfei Novel glycosyl pyridyl-triazole@palladium nanoparticles: efficient and recoverable catalysts for C‒C cross-coupling reactions Catal. Sci. Technol. 5(4) (2015) 2065
Space group: P 1 21 1
Cell volume: 1850.02
Cell parameters: 13.6507; 10.3032; 13.9805; 90; 109.803; 90;  

COD ID: 1518674
CIF file Formula: - C75 H71 Cl2 N3 Pd -
Comments: Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts Catal. Sci. Technol. 5(3) (2015) 1447
Space group: P -1
Cell volume: 3668.5
Cell parameters: 12.3155; 15.9288; 19.2346; 79.609; 87.992; 81.295;  

COD ID: 1518675
CIF file Formula: - C27 H39 Cl2 N3 Pd -
Comments: Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts Catal. Sci. Technol. 5(3) (2015) 1447
Space group: C 1 2/c 1
Cell volume: 5542.8
Cell parameters: 35.0018; 11.2158; 15.2054; 90; 111.789; 90;  

COD ID: 1519361
CIF file Formula: - C64 H88 N2 O5 Sc -
Comments: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol. 5(6) (2015) 3302
Space group: P 1 21/n 1
Cell volume: 6064.7
Cell parameters: 12.8779; 19.9196; 24.2784; 90; 103.146; 90;  

COD ID: 1519362
CIF file Formula: - C64.5 H85 N2 O5 Yb -
Comments: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol. 5(6) (2015) 3302
Space group: P 1 21/n 1
Cell volume: 6127
Cell parameters: 13.106; 19.8031; 24.2374; 90; 103.093; 90;  

COD ID: 1519363
CIF file Formula: - C73 H105 N2 O8 Y -
Comments: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol. 5(6) (2015) 3302
Space group: P 1 21/c 1
Cell volume: 6938.3
Cell parameters: 10.8744; 29.9882; 21.5416; 90; 99.001; 90;  

COD ID: 1519364
CIF file Formula: - C73 H105 N2 Nd O8 -
Comments: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol. 5(6) (2015) 3302
Space group: P 1 21/c 1
Cell volume: 6967.7
Cell parameters: 10.8719; 30.0322; 21.6152; 90; 99.151; 90;  

COD ID: 1519365
CIF file Formula: - C52 H76 N3 O4 Si2 Yb -
Comments: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol. 5(6) (2015) 3302
Space group: P 1 21/n 1
Cell volume: 5245
Cell parameters: 17.715; 14.656; 20.41; 90; 98.17; 90;  

COD ID: 1519366
CIF file Formula: - C52 H76 N3 O4 Si2 Y -
Comments: Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol. 5(6) (2015) 3302
Space group: P 1 21/n 1
Cell volume: 5191.5
Cell parameters: 17.6572; 14.6349; 20.3043; 90; 98.333; 90;  

COD ID: 1519632
CIF file Formula: - C15 H12 Mo O3 -
Comments: Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol. 5(10) (2015) 4772
Space group: P b c a
Cell volume: 2598.75
Cell parameters: 16.6109; 8.7885; 17.8015; 90; 90; 90;  

COD ID: 1519633
CIF file Formula: - C15 H7 F5 Mo O3 -
Comments: Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol. 5(10) (2015) 4772
Space group: P 1 21/n 1
Cell volume: 1467.12
Cell parameters: 8.1106; 14.7261; 12.4891; 90; 100.409; 90;  

COD ID: 1519762
CIF file Formula: - C19 H16 Cl2 N O P Pd -
Comments: Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes Catal. Sci. Technol. (2015)
Space group: P 21 21 21
Cell volume: 1959.6
Cell parameters: 9.394; 10.5702; 19.7348; 90; 90; 90;  

COD ID: 1519763
CIF file Formula: - C38 H32 Cl2 N2 O2 P2 Pd -
Comments: Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes Catal. Sci. Technol. (2015)
Space group: F 2 d d
Cell volume: 6830.9
Cell parameters: 10.2329; 21.5082; 31.0365; 90; 90; 90;  

COD ID: 1520028
CIF file Formula: - C7 H6 Br N O -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 1 21/c 1
Cell volume: 742.15
Cell parameters: 16.189; 4.6448; 9.8821; 90; 92.866; 90;  

COD ID: 1520029
CIF file Formula: - C7 H6 Br N O -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 1 21/n 1
Cell volume: 732.51
Cell parameters: 5.0263; 10.9683; 13.3113; 90; 93.465; 90;  

COD ID: 1520030
CIF file Formula: - C22 H16 N2 O2 -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 1 21/n 1
Cell volume: 1640.7
Cell parameters: 9.3024; 8.3301; 21.227; 90; 94.1; 90;  

COD ID: 1520031
CIF file Formula: - C22 H12 N2 -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 1 21/c 1
Cell volume: 1538.65
Cell parameters: 12.3869; 7.756; 16.0899; 90; 95.514; 90;  

COD ID: 1520032
CIF file Formula: - C22 H12 N2 -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 1 21 1
Cell volume: 772.84
Cell parameters: 7.874; 7.9775; 12.3173; 90; 92.715; 90;  

COD ID: 1520033
CIF file Formula: - C28 H23 O P -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 21 21 21
Cell volume: 2062.07
Cell parameters: 7.9622; 12.3209; 21.0198; 90; 90; 90;  

COD ID: 1520034
CIF file Formula: - C7 H6 Br N O -
Comments: Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol. 5(7) (2015) 3822
Space group: P 1 21/c 1
Cell volume: 721
Cell parameters: 4.92; 5.3316; 27.538; 90; 93.562; 90;  

COD ID: 1520578
CIF file Formula: - C56 H57 Cu3 N38 O22.5 -
Comments: Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R. Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes Catal. Sci. Technol. 5(8) (2015) 4108
Space group: P -1
Cell volume: 3570.2
Cell parameters: 14.1016; 14.4022; 20.4554; 94.939; 95.386; 119.157;  

COD ID: 1520579
CIF file Formula: - C24 H52 B6 Cu4 F8 N4 O17 -
Comments: Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R. Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes Catal. Sci. Technol. 5(8) (2015) 4108
Space group: C 1 2/c 1
Cell volume: 3953.9
Cell parameters: 14.4651; 19.3815; 14.1054; 90; 90.991; 90;  

COD ID: 1520736
CIF file Formula: - C16 H16 N2 O S -
Comments: Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol. 5(10) (2015) 4790
Space group: P 21 21 21
Cell volume: 1440.33
Cell parameters: 7.2412; 10.1066; 19.681; 90; 90; 90;  

COD ID: 1520737
CIF file Formula: - C14 H14 N2 O S2 -
Comments: Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol. 5(10) (2015) 4790
Space group: P 21 21 21
Cell volume: 1385.47
Cell parameters: 7.1805; 9.8395; 19.6096; 90; 90; 90;  

COD ID: 1520738
CIF file Formula: - C24 H25 Cl2 N3 O Ru S -
Comments: Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol. 5(10) (2015) 4790
Space group: P 21 21 21
Cell volume: 2518.1
Cell parameters: 10.0568; 14.9314; 16.7695; 90; 90; 90;  

COD ID: 1520739
CIF file Formula: - C20 H20 Cl2 N2 O Ru S2 -
Comments: Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol. 5(10) (2015) 4790
Space group: P 21 21 21
Cell volume: 2196
Cell parameters: 6.6174; 17.1016; 19.4048; 90; 90; 90;  

COD ID: 1520740
CIF file Formula: - C20 H20 Cl2 N2 O2 Ru S -
Comments: Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol. 5(10) (2015) 4790
Space group: P 21 21 21
Cell volume: 2129.28
Cell parameters: 6.503; 10.2867; 31.8305; 90; 90; 90;  

COD ID: 1521275
CIF file Formula: - C24 H43 Ir O2 P2 -
Comments: Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A. Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism Catal. Sci. Technol. 5(9) (2015) 4575
Space group: P -1
Cell volume: 1268.7
Cell parameters: 8.5336; 11.7835; 13.3762; 100.381; 95.958; 103.944;  

COD ID: 1521276
CIF file Formula: - C25 H45 Ir O2 P2 -
Comments: Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A. Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism Catal. Sci. Technol. 5(9) (2015) 4575
Space group: P 1 21/c 1
Cell volume: 2629.5
Cell parameters: 16.2181; 10.735; 15.8712; 90; 107.894; 90;  

COD ID: 1529201
CIF file Formula: - C71.5 H54 Al Cl5 N4 O3 -
Comments: Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides Catal. Sci. Technol. 5(9) (2015) 4644
Space group: P 1 21/c 1
Cell volume: 6429.3
Cell parameters: 15.72; 14.2236; 28.919; 90; 96.12; 90;  

COD ID: 1529202
CIF file Formula: - C68 H50 Al Cl3 N4 O2 -
Comments: Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides Catal. Sci. Technol. 5(9) (2015) 4644
Space group: P 1 21/n 1
Cell volume: 5426.2
Cell parameters: 14.265; 20.847; 18.412; 90; 97.691; 90;  

COD ID: 1529375
CIF file Formula: - C104 N6 O82 P2 Ti4 W20 -
Comments: Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species Catal. Sci. Technol. 5(10) (2015) 4778
Space group: P 1 21/n 1
Cell volume: 9260.94
Cell parameters: 23.1112; 15.2701; 27.7104; 90; 108.738; 90;  

COD ID: 1529376
CIF file Formula: - O80 P2 Ti4 W20 -
Comments: Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species Catal. Sci. Technol. 5(10) (2015) 4778
Space group: P -1
Cell volume: 38312
Cell parameters: 20.57; 34.716; 54.711; 88.88; 85.12; 79.8;  

COD ID: 1529377
CIF file Formula: - C23 H19 N O -
Comments: Zhang, Chunyan; Liu, Jianhua; Xia, Chungu Palladium‒N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines Catal. Sci. Technol. 5(10) (2015) 4750
Space group: P -1
Cell volume: 1762.4
Cell parameters: 9.4895; 9.9809; 18.7212; 88.615; 83.84; 89.586;  

COD ID: 1529430
CIF file Formula: - C36 H41 Na O6 -
Comments: Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide Catal. Sci. Technol. 6(2) (2016) 515
Space group: P 1 21/c 1
Cell volume: 3179.4
Cell parameters: 18.646; 12.596; 14.6475; 90; 112.453; 90;  

COD ID: 1532462
CIF file Formula: - C16 H22 N2 O -
Comments: Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A. A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions Catal. Sci. Technol. 6(5) (2016) 1410
Space group: P 1 21/n 1
Cell volume: 1441.27
Cell parameters: 14.4834; 6.1063; 16.8547; 90; 104.786; 90;  

COD ID: 1532463
CIF file Formula: - C15 H20 N2 O2 -
Comments: Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A. A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions Catal. Sci. Technol. 6(5) (2016) 1410
Space group: P 1 21/n 1
Cell volume: 1437.39
Cell parameters: 14.476; 6.097; 16.8438; 90; 104.788; 90;  

COD ID: 1532464
CIF file Formula: - C11 H10 Co N O4 -
Comments: Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S. New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings Catal. Sci. Technol. 6(5) (2016) 1384
Space group: P 6/m m m
Cell volume: 3800.9
Cell parameters: 21.5645; 21.5645; 9.4379; 90; 90; 120;  

COD ID: 1539136
CIF file Formula: - C45 H56 Cl2 N8 O5 Zn -
Comments: Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide Catal. Sci. Technol. 6(6) (2016) 1779
Space group: P -1
Cell volume: 2309.7
Cell parameters: 12.6986; 12.8906; 14.9043; 90.191; 108.659; 92.048;  

COD ID: 1540417
CIF file Formula: - C56 H73 Cl2 N2 P Ru -
Comments: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol. 6(7) (2016) 2092
Space group: P 1 21/n 1
Cell volume: 4900.6
Cell parameters: 11.7833; 32.7044; 13.6983; 90; 111.821; 90;  

COD ID: 1540418
CIF file Formula: - C61 H76 Cl2 F N2 P Ru -
Comments: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol. 6(7) (2016) 2092
Space group: P 1 21/c 1
Cell volume: 5330.8
Cell parameters: 18.3485; 16.9164; 17.4629; 90; 100.428; 90;  

COD ID: 1540419
CIF file Formula: - C56 H73 Cl2 N2 P Ru -
Comments: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol. 6(7) (2016) 2092
Space group: P 21 21 21
Cell volume: 4994.27
Cell parameters: 14.15; 14.3631; 24.5735; 90; 90; 90;  

COD ID: 1540530
CIF file Formula: - C45 H62 N2 O2 P2 Rh2 S2 -
Comments: Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I. Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation Catal. Sci. Technol. 6(5) (2016) 1320
Space group: P 1 21/n 1
Cell volume: 4527.3
Cell parameters: 12.7487; 19.7725; 18.4361; 90; 103.046; 90;  

COD ID: 1540718
CIF file Formula: - C35 H37 F3 N O7 P2 Rh S -
Comments: Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins Catal. Sci. Technol. 6(11) (2016) 3854
Space group: P 1 21/c 1
Cell volume: 3594.2
Cell parameters: 11.2087; 15.5479; 20.7874; 90; 97.185; 90;  

COD ID: 1541895
CIF file Formula: - C15 H16 N2 -
Comments: Xiu, Jianmin; Yi, Wenbin Radical-based regioselective cross-coupling of indoles and cycloalkanes Catal. Sci. Technol. 6(4) (2016) 998
Space group: P 1 21/c 1
Cell volume: 2485.6
Cell parameters: 15.783; 12.467; 12.928; 90; 102.277; 90;  

COD ID: 1542279
CIF file Formula: - C42 H28 Cu La4 N6 O38 S2 -
Comments: Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes Catal. Sci. Technol. 6(11) (2016) 3727
Space group: P -1
Cell volume: 1316.5
Cell parameters: 9.4008; 11.5017; 13.7959; 108.56; 106.079; 97.893;  

COD ID: 1542345
CIF file Formula: - C21 H26 F3 Ir N2 O4 Si -
Comments: Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A. Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes Catal. Sci. Technol. 6(12) (2016) 4410
Space group: C 1 2/c 1
Cell volume: 4431.3
Cell parameters: 28.294; 11.04; 15.2266; 90; 111.304; 90;  

COD ID: 1542353
CIF file Formula: - C28 H41 B F4 Fe N3 O P -
Comments: Butschke, B.; Feller, M.; Diskin-Posner, Y.; Milstein, D. Ketone hydrogenation catalyzed by a new iron(ii)‒PNN complex Catal. Sci. Technol. 6(12) (2016) 4428
Space group: P 1 21/c 1
Cell volume: 3027.8
Cell parameters: 17.888; 8.6252; 21.0338; 90; 111.094; 90;  

COD ID: 1542366
CIF file Formula: - C22 H36 Cl3 P Ru -
Comments: González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides Catal. Sci. Technol. 6(12) (2016) 4398
Space group: P -1
Cell volume: 1198.29
Cell parameters: 7.6344; 10.5128; 15.3514; 103.182; 92.237; 90.962;  

COD ID: 1542367
CIF file Formula: - C24 H23 Cl2 F6 O P Ru -
Comments: González-Fernández, Rebeca; González-Liste, Pedro J.; Borge, Javier; Crochet, Pascale; Cadierno, Victorio Chlorophosphines as auxiliary ligands in ruthenium-catalyzed nitrile hydration reactions: application to the preparation of β-ketoamides Catal. Sci. Technol. 6(12) (2016) 4398
Space group: P 1 21/c 1
Cell volume: 2578.66
Cell parameters: 6.8231; 11.2772; 33.5183; 90; 91.031; 90;  

COD ID: 1542404
CIF file Formula: - C12 H18 Cu N O6 -
Comments: Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M. New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes Catal. Sci. Technol. 6(12) (2016) 4584
Space group: P -1
Cell volume: 720.03
Cell parameters: 7.5973; 8.106; 12.4901; 89.576; 86.095; 69.787;  

COD ID: 1542405
CIF file Formula: - C14 H27 Cu N2 O9 -
Comments: Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M. New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes Catal. Sci. Technol. 6(12) (2016) 4584
Space group: P 1 21/c 1
Cell volume: 1800.11
Cell parameters: 9.2907; 13.3305; 15.2281; 90; 107.358; 90;  

COD ID: 1542415
CIF file Formula: - C19 H19 Br2 Fe N3 Ni -
Comments: Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James (Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation Catal. Sci. Technol. 6(13) (2016) 4814
Space group: P 1 21/c 1
Cell volume: 1863.13
Cell parameters: 14.1412; 9.6921; 13.6154; 90; 93.23; 90;  

COD ID: 1542416
CIF file Formula: - C20 H19 Br2 Fe N3 Ni -
Comments: Obuah, Collins; Jordaan, Johan H. L.; Darkwa, James (Ferrocenylpyrazolyl)nickel(ii)-catalysed ethylene oligomerisation Catal. Sci. Technol. 6(13) (2016) 4814
Space group: P 1 21/c 1
Cell volume: 1960.86
Cell parameters: 14.2482; 9.8031; 14.1378; 90; 96.793; 90;  

COD ID: 1542536
CIF file Formula: - C22 H16 F6 N4 O6 S2 Zn -
Comments: Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C. Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide Catal. Sci. Technol. 6(13) (2016) 4824
Space group: C 1 2/c 1
Cell volume: 2538.75
Cell parameters: 9.92044; 14.02733; 18.6185; 90; 101.515; 90;  

COD ID: 1542537
CIF file Formula: - C26 H16 F6 N4 O6 S2 Zn -
Comments: Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C. Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide Catal. Sci. Technol. 6(13) (2016) 4824
Space group: C 1 2/c 1
Cell volume: 2715.25
Cell parameters: 9.75476; 14.26536; 19.5942; 90; 95.2384; 90;  

COD ID: 1542538
CIF file Formula: - C24 H32 F6 N8 O6 S2 Zn -
Comments: Comerford, James W.; Hart, Sam J.; North, Michael; Whitwood, Adrian C. Homogeneous and silica-supported zinc complexes for the synthesis of propylene carbonate from propane-1,2-diol and carbon dioxide Catal. Sci. Technol. 6(13) (2016) 4824
Space group: P 1
Cell volume: 785.04
Cell parameters: 8.3731; 8.6907; 11.7281; 68.851; 81.968; 82.401;  

COD ID: 1542578
CIF file Formula: - C16 H11 F3 Mo O3 -
Comments: Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E. Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis Catal. Sci. Technol. 6(13) (2016) 4970
Space group: P -1
Cell volume: 749.96
Cell parameters: 7.1145; 7.6417; 15.3159; 93.275; 97.569; 113.744;  

COD ID: 1542579
CIF file Formula: - C16 H11 F3 Mo O3 -
Comments: Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E. Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis Catal. Sci. Technol. 6(13) (2016) 4970
Space group: P 1 21/c 1
Cell volume: 1509.41
Cell parameters: 7.2471; 31.8822; 6.7406; 90; 104.266; 90;  

COD ID: 1542580
CIF file Formula: - C16 H11 F3 Mo O3 -
Comments: Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E. Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis Catal. Sci. Technol. 6(13) (2016) 4970
Space group: P 1 21/c 1
Cell volume: 1495.49
Cell parameters: 8.9791; 12.3295; 13.7453; 90; 100.651; 90;  

COD ID: 1542581
CIF file Formula: - C17 H10 F6 Mo O3 -
Comments: Reich, Robert M.; Kaposi, Marlene; Pöthig, Alexander; Kühn, Fritz E. Kinetic studies of fluorinated aryl molybdenum(ii) tricarbonyl precursors in epoxidation catalysis Catal. Sci. Technol. 6(13) (2016) 4970
Space group: P -1
Cell volume: 832.29
Cell parameters: 8.4202; 10.2245; 10.5319; 101.377; 102.663; 103.044;  

COD ID: 1542628
CIF file Formula: - C63 H39 B F24 N3 P Pd -
Comments: Ojwach, Stephen O.; Ogweno, Aloice O.; Akerman, Matthew P. (Pyridyl)benzoazole palladium(ii) complexes as homogeneous catalysts in hydrogenation of alkenes and alkynes Catal. Sci. Technol. 6(13) (2016) 5069
Space group: P -1
Cell volume: 2987.2
Cell parameters: 12.7129; 13.3917; 17.6166; 93.824; 90.923; 93.204;  

COD ID: 1542764
CIF file Formula: - C50 H45 Cl F12 N10 O3 P2 Ru2 -
Comments: Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Water oxidation catalysis with ligand substituted Ru‒bpp type complexes Catal. Sci. Technol. 6(13) (2016) 5088
Space group: C 1 2/c 1
Cell volume: 10530.2
Cell parameters: 36.067; 15.5582; 18.7893; 90; 92.869; 90;  

COD ID: 1542765
CIF file Formula: - C50.5 H43.25 Cl2 N13.75 O10 Ru2 -
Comments: Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.; League, Aaron B.; Ertem, Mehmed Z.; Francàs, Laia; Miró, Pere; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni Water oxidation catalysis with ligand substituted Ru‒bpp type complexes Catal. Sci. Technol. 6(13) (2016) 5088
Space group: P 1 21/n 1
Cell volume: 5790.9
Cell parameters: 15.1819; 26.556; 15.5336; 90; 112.382; 90;  

COD ID: 1542911
CIF file Formula: - C21 H17 N O7 -
Comments: Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A. Removing the superfluous: a supported squaramide catalyst with a minimalistic linker applied to the enantioselective flow synthesis of pyranonaphthoquinones Catal. Sci. Technol. 6(13) (2016) 4686
Space group: P 1
Cell volume: 900.55
Cell parameters: 8.914; 10.559; 10.6874; 82.779; 72.066; 70.261;  

COD ID: 1542955
CIF file Formula: - C38 H60 Cl Fe N2 O3 -
Comments: Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M. Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes Catal. Sci. Technol. 6(14) (2016) 5364
Space group: P 1 21/n 1
Cell volume: 3840.5
Cell parameters: 12.492; 9.7027; 31.799; 90; 94.843; 90;  

COD ID: 1542956
CIF file Formula: - C30.5 H45 Cl Fe N2 O2.5 -
Comments: Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M. Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes Catal. Sci. Technol. 6(14) (2016) 5364
Space group: C 1 2/c 1
Cell volume: 5957
Cell parameters: 27.898; 9.683; 23.472; 90; 110.032; 90;  

COD ID: 1543272
CIF file Formula: - C23 H15 N -
Comments: Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions Catal. Sci. Technol. 6(11) (2016) 3723
Space group: P b c a
Cell volume: 3114.8
Cell parameters: 19.533; 7.5052; 21.247; 90; 90; 90;  

COD ID: 1543573
CIF file Formula: - C30 H36 F6 N5 O3 P Ru S -
Comments: Marcé, Patricia; Paterson, Andrew J.; Mahon, Mary F.; Frost, Christopher G. Mechanistic insight into ruthenium catalysed meta-sulfonation of 2-phenylpyridine Catal. Sci. Technol. 6(19) (2016) 7068
Space group: P -1
Cell volume: 1754.25
Cell parameters: 8.287; 8.486; 25.305; 95.062; 92.854; 97.449;  

COD ID: 1544135
CIF file Formula: - C26 H20 F10 N4 Zn -
Comments: Li, Xiao-Qing; Wang, Bin; Ji, He-Yuan; Li, Yue-Sheng Insights into the mechanism for ring-opening polymerization of lactide catalyzed by Zn(C6F5)2/organic superbase Lewis pairs Catal. Sci. Technol. 6(21) (2016) 7763
Space group: P 1 2/c 1
Cell volume: 1379.9
Cell parameters: 12.2298; 7.6667; 17.9898; 90; 125.106; 90;  

COD ID: 1544219
CIF file Formula: - C22 H22 Cl5 F5 N2 Ru -
Comments: Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A. Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation Catal. Sci. Technol. 6(22) (2016) 8024
Space group: P 1 21/c 1
Cell volume: 2651.45
Cell parameters: 15.969; 10.6225; 15.6395; 90; 91.922; 90;  

COD ID: 1544220
CIF file Formula: - C36 H39 Cl8 N2 Ru -
Comments: Ventura-Espinosa, David; Vicent, Cristian; Baya, Miguel; Mata, Jose A. Ruthenium molecular complexes immobilized on graphene as active catalysts for the synthesis of carboxylic acids from alcohol dehydrogenation Catal. Sci. Technol. 6(22) (2016) 8024
Space group: P -1
Cell volume: 2090.04
Cell parameters: 11.3681; 14.3155; 14.8357; 62.367; 84.064; 77.725;  

COD ID: 1544266
CIF file Formula: - C20 H26 Cl2 Co N4 -
Comments: Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol. 6(20) (2016) 7408
Space group: C 2 2 21
Cell volume: 2366.4
Cell parameters: 11.8914; 12.9438; 15.3741; 90; 90; 90;  

COD ID: 1544267
CIF file Formula: - C17 H24 Cl2 Co N4 -
Comments: Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol. 6(20) (2016) 7408
Space group: P b c n
Cell volume: 1805.2
Cell parameters: 14.2357; 8.2893; 15.2974; 90; 90; 90;  

COD ID: 1544268
CIF file Formula: - C28 H31 Cl2 Co N5 -
Comments: Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol. 6(20) (2016) 7408
Space group: P 1 21 1
Cell volume: 1333.2
Cell parameters: 11.1898; 8.5968; 14.2382; 90; 103.253; 90;  

COD ID: 1544269
CIF file Formula: - C12 H34 Cl2 Co N4 O2 -
Comments: Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol. 6(20) (2016) 7408
Space group: P -1
Cell volume: 959.1
Cell parameters: 9.0263; 9.19; 13.2981; 83.343; 81.332; 61.722;  

COD ID: 1544270
CIF file Formula: - C22 H32 Cl2 Co N4 O -
Comments: Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations Catal. Sci. Technol. 6(20) (2016) 7408
Space group: C 2 2 21
Cell volume: 2287.5
Cell parameters: 11.2962; 13.9276; 14.5394; 90; 90; 90;  

COD ID: 1544367
CIF file Formula: - C19 H20.24 Cl2 Co N4 O0.12 -
Comments: Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites Catal. Sci. Technol. 6(24) (2016) 8482
Space group: P 32 2 1
Cell volume: 2885.6
Cell parameters: 9.044; 9.044; 40.737; 90; 90; 120;  

COD ID: 1544368
CIF file Formula: - C18 H17 Br Cl2 Co N4 -
Comments: Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites Catal. Sci. Technol. 6(24) (2016) 8482
Space group: P 1 21/n 1
Cell volume: 1989.7
Cell parameters: 14.188; 6.883; 21.321; 90; 107.131; 90;  

COD ID: 1544478
CIF file Formula: - C44 H56 N3 O Rh -
Comments: Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol. 6(24) (2016) 8548
Space group: P 1 21/n 1
Cell volume: 3716.4
Cell parameters: 11.4926; 17.417; 19.109; 90; 103.684; 90;  

COD ID: 1544479
CIF file Formula: - C45 H58 N3 O Rh -
Comments: Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol. 6(24) (2016) 8548
Space group: P 1 21/n 1
Cell volume: 3834.4
Cell parameters: 11.3475; 17.783; 19.583; 90; 103.994; 90;  

COD ID: 1544480
CIF file Formula: - C63 H72 N3 O Rh -
Comments: Palacios, Laura; Di Giuseppe, Andrea; Artigas, María José; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A. Mechanistic insight into the pyridine enhanced α-selectivity in alkyne hydrothiolation catalysed by quinolinolate‒rhodium(i)‒N-heterocyclic carbene complexes Catal. Sci. Technol. 6(24) (2016) 8548
Space group: P 1 21/n 1
Cell volume: 5339.1
Cell parameters: 11.4003; 29.8414; 16.2873; 90; 105.512; 90;  

COD ID: 1544553
CIF file Formula: - C46 H32 O5 -
Comments: Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri A mechanistic study of the Lewis acid‒Brønsted base‒Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone Catal. Sci. Technol. 7(1) (2017) 90
Space group: P 21 21 21
Cell volume: 3240.8
Cell parameters: 9.6965; 17.3653; 19.2464; 90; 90; 90;  

COD ID: 1544776
CIF file Formula: - C41 H52 Cl8 N8 O6 Ru2 S2 -
Comments: Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand Catal. Sci. Technol. 7(2) (2017) 387
Space group: C 1 2/c 1
Cell volume: 5282
Cell parameters: 31.425; 9.0156; 34.41; 90; 147.193; 90;  

COD ID: 1545800
CIF file Formula: - C15 H28 N4 O7 S2 -
Comments: Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 1051.83
Cell parameters: 7.8403; 12.7512; 10.5247; 90; 91.486; 90;  

COD ID: 1545881
CIF file Formula: - C24 H14 Co2 O6 -
Comments: Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J. Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 1080.1
Cell parameters: 8.4376; 10.1022; 13.0614; 98.593; 92.973; 100.142;  

COD ID: 1545893
CIF file Formula: - C4 H12 Cu2 I2 N2 -
Comments: Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol. (2017)
Space group: P 42/n
Cell volume: 1040.89
Cell parameters: 11.7663; 11.7663; 7.5184; 90; 90; 90;  

COD ID: 1545894
CIF file Formula: - C20 H65 Cu2 I4 N15 -
Comments: Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol. (2017)
Space group: P 21 21 21
Cell volume: 4120.42
Cell parameters: 9.18796; 12.5494; 35.7355; 90; 90; 90;  

COD ID: 1545895
CIF file Formula: - C8 H24 Cu2 I2 N4 -
Comments: Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 1755.7
Cell parameters: 13.3569; 11.5554; 11.4189; 90; 95.026; 90;  

COD ID: 1545973
CIF file Formula: - C41 H40 Cl2 N2 P2 Ru -
Comments: Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst Catal. Sci. Technol. 7(8) (2017) 1654
Space group: P 1 21/n 1
Cell volume: 4638.6
Cell parameters: 11.188; 25.322; 16.401; 90; 93.32; 90;  

COD ID: 1545996
CIF file Formula: - C25 H27 Cl2 N7 Ni O3 -
Comments: Dai, Zengjin; Luo, Qin; Jiang, Huan; Luo, Qi; Li, Hua; Zhang, Jing; Peng, Tianyou Ni(II)-N′NN′ Pincer Complexes Catalyzed Dehydrogenation of Primary Alcohols to Carboxylic acids and H2 Accompanied by the Alcohol Etherification Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 2806.9
Cell parameters: 16.1455; 19.402; 9.224; 90; 103.732; 90;  

COD ID: 1546243
CIF file Formula: - C61.5 H59 Al Cl8 N4 Ni -
Comments: Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation Catal. Sci. Technol. (2017)
Space group: P 1 21 1
Cell volume: 6373
Cell parameters: 16.975; 15.547; 24.68; 90; 101.91; 90;  

COD ID: 1546244
CIF file Formula: - C90 H84 Al Cl9 N6 Ni3 -
Comments: Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 4212.5
Cell parameters: 14.507; 16.966; 19.647; 112.115; 101.465; 100.432;  

COD ID: 1546245
CIF file Formula: - C34.25 H41.5 Al Cl4.75 N2 Ni -
Comments: Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation Catal. Sci. Technol. (2017)
Space group: P 1 21 1
Cell volume: 3774.07
Cell parameters: 12.652; 23.843; 12.739; 90; 100.858; 90;  

COD ID: 1546320
CIF file Formula: - C22 H19 Bi F3 N O3 S -
Comments: Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I. Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 1072.86
Cell parameters: 9.8797; 10.1848; 10.9733; 78.19; 86.738; 83.332;  

COD ID: 1546321
CIF file Formula: - C21 H19 Bi N2 O3 -
Comments: Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I. Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 1854.76
Cell parameters: 9.634; 10.1839; 19.5747; 91.79; 104.227; 93.993;  

COD ID: 1546322
CIF file Formula: - C22 H21 Bi N2 O3 -
Comments: Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I. Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 2043.1
Cell parameters: 9.567; 18.155; 12.596; 90; 110.952; 90;  

COD ID: 1546323
CIF file Formula: - C29 H26 Bi N O3 S -
Comments: Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca; Pârvulescu, Vasile I. Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide Catal. Sci. Technol. (2017)
Space group: P 1 21/n 1
Cell volume: 2555.6
Cell parameters: 12.068; 14.0151; 15.1158; 90; 91.579; 90;  

COD ID: 1546440
CIF file Formula: - C23.5 H22.5 Cu3 N4.5 O13 -
Comments: Truong, Thanh; Tran, Thuan V.; Le, Hanh T. N; Ha, Hiep Q.; Duong, Xuan N. T; Nguyen, Linh H. T; Doan, Tan L. H; Nguyen, Ha Lac Five coordination Cu(II) cluster-based MOF and its application in synthesis of pharmaceuticals via Sp3C-H/N-H oxidative couplings Catal. Sci. Technol. (2017)
Space group: P 1 21/m 1
Cell volume: 4209.2
Cell parameters: 14.9611; 18.8833; 15.2457; 90; 102.243; 90;  

COD ID: 1546512
CIF file Formula: - C37 H33 Cl5 N2 O2 P2 Ru -
Comments: Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 1814.26
Cell parameters: 8.8067; 13.5906; 16.3003; 83.2903; 78.3035; 72.0401;  

COD ID: 1546513
CIF file Formula: - C35 H40 Cl2 N2 O3 P2 Ru -
Comments: Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol. (2017)
Space group: P 1 21/n 1
Cell volume: 3398.7
Cell parameters: 13.1524; 14.2669; 18.7481; 90; 104.965; 90;  

COD ID: 1546514
CIF file Formula: - C37 H34 Cl4 N2 O2 P2 Ru -
Comments: Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol. (2017)
Space group: P 1 21/n 1
Cell volume: 3637.1
Cell parameters: 14.1626; 17.2124; 15.9415; 90; 110.623; 90;  

COD ID: 1546515
CIF file Formula: - C38.5 H36 Cl N3 O3 P2 Ru -
Comments: Sahoo, Apurba Ranjan; Jiang, Fan; Bruneau, Christian; Gangavaram, Sharma; Surisetti, Suresh; Roisnel, Thierry; Dorcet, Vincent; Achard, Mathieu Phosphine-Pyridonate Ligands Containing Octahedral Ruthenium Complexes : Access to Esters and Formic Acid Catal. Sci. Technol. (2017)
Space group: P 1 c 1
Cell volume: 3807.6
Cell parameters: 16.1179; 16.1688; 15.2936; 90; 107.19; 90;  

COD ID: 1546811
CIF file Formula: - C48 H44 Fe2 N2 O8 -
Comments: Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides Catalysis Science & Technology 7(19) (2017) 4375-4387
Space group: P -1
Cell volume: 2054.25
Cell parameters: 10.0781; 12.2736; 18.584; 74.2212; 75.854; 70.4236;  

COD ID: 1546812
CIF file Formula: - C20 H17 N O3 -
Comments: Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides Catalysis Science & Technology 7(19) (2017) 4375-4387
Space group: P 1 21/c 1
Cell volume: 1617.62
Cell parameters: 15.0129; 6.7964; 16.6082; 90; 107.336; 90;  

COD ID: 1546813
CIF file Formula: - C24 H24 N2 O6 -
Comments: Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides Catalysis Science & Technology 7(19) (2017) 4375-4387
Space group: C 1 2/c 1
Cell volume: 4496.2
Cell parameters: 17.9282; 11.5903; 21.7086; 90; 94.633; 90;  

COD ID: 1546814
CIF file Formula: - C58 H44 Fe2 N4 O10 -
Comments: Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides Catalysis Science & Technology 7(19) (2017) 4375-4387
Space group: P 1 21/n 1
Cell volume: 2438.52
Cell parameters: 8.639; 28.5416; 10.0003; 90; 98.528; 90;  

COD ID: 1546834
CIF file Formula: - C12 H6 Hf3 O16 -
Comments: Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions Catalysis Science & Technology 7(19) (2017) 4346-4350
Space group: F d -3 m
Cell volume: 42802
Cell parameters: 34.9801; 34.9801; 34.9801; 90; 90; 90;  

COD ID: 1546835
CIF file Formula: - C9 H3 Hf3 O13 S6 -
Comments: Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions Catalysis Science & Technology 7(19) (2017) 4346-4350
Space group: F d -3 m
Cell volume: 42512
Cell parameters: 34.901; 34.901; 34.901; 90; 90; 90;  

COD ID: 1546912
CIF file Formula: - C0.75 K0.08 O3.52 Si1.5 -
Comments: Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite Catal. Sci. Technol. (2017)
Space group: P -6 m 2
Cell volume: 1149.8
Cell parameters: 13.265; 13.265; 7.545; 90; 90; 120;  

COD ID: 1546913
CIF file Formula: - C14 K O40 Si18 -
Comments: Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite Catal. Sci. Technol. (2017)
Space group: P -6 m 2
Cell volume: 1146.76
Cell parameters: 13.2558; 13.2558; 7.5358; 90; 90; 120;  

COD ID: 1546914
CIF file Formula: - C14 K O40 Si18 -
Comments: Łukaszuk, Katarzyna Anna; Rojo-Gama, Daniel; Øien-Ødegaard, Sigurd; Lazzarini, Andrea; Berlier, Gloria; Bordiga, Silvia; Lillerud, Karl Petter; Olsbye, Unni; Beato, Pablo; Lundegaard, Lars Fahl; Svelle, Stian Zeolite morphology and catalyst performance: Conversion of methanol to hydrocarbons over offretite Catal. Sci. Technol. (2017)
Space group: P -6 m 2
Cell volume: 1142.1
Cell parameters: 13.2269; 13.2269; 7.5381; 90; 90; 120;  

COD ID: 1547134
CIF file Formula: - C35.61 H35.61 Cl4 Fe N4 O3.11 -
Comments: Patra, Ranjan; Coin, Guillaume; Castro, Ludovic; Dubourdeaux, Patrick; Clémancey, Martin; Pécaut, Jacques; Lebrun, Colette; Maldivi, Pascale; Latour, Jean-Marc Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 7119.1
Cell parameters: 27.042; 10.5667; 28.273; 90; 118.213; 90;  

COD ID: 1547242
CIF file Formula: - C23 H33 F6 N3 P2 Ru -
Comments: Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi Designing bifunctional alkene isomerization catalysts using predictive modelling Catal. Sci. Technol. (2017)
Space group: P b c a
Cell volume: 5260.6
Cell parameters: 12.4248; 20.3497; 20.8058; 90; 90; 90;  

COD ID: 1547243
CIF file Formula: - C37 H59 F6 N7 P2 Ru -
Comments: Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi Designing bifunctional alkene isomerization catalysts using predictive modelling Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 2117
Cell parameters: 11.7704; 13.58; 15.0853; 80.426; 68.805; 70.553;  

COD ID: 1547383
CIF file Formula: - C57 H61 Au Cl4 O3 P -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: P 21 21 21
Cell volume: 5336.1
Cell parameters: 9.0107; 22.8169; 25.9541; 90; 90; 90;  

COD ID: 1547384
CIF file Formula: - C62 H45 Au Cl O3 P Si2 -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: P 21 21 21
Cell volume: 4978.4
Cell parameters: 9.7873; 12.8393; 39.6173; 90; 90; 90;  

COD ID: 1547385
CIF file Formula: - C32 H25 Au Cl Fe P -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: P 41
Cell volume: 2612
Cell parameters: 13.2861; 13.2861; 14.7974; 90; 90; 90;  

COD ID: 1547386
CIF file Formula: - C28 H33 Au Cl Fe P -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: P 31
Cell volume: 1917
Cell parameters: 9.7478; 9.7478; 23.296; 90; 90; 120;  

COD ID: 1547387
CIF file Formula: - C32 H38 Fe O S -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: P 21 21 21
Cell volume: 2712.6
Cell parameters: 9.6442; 15.8547; 17.74; 90; 90; 90;  

COD ID: 1547388
CIF file Formula: - C30 H57 Au Cl O3 P -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: C 1 2 1
Cell volume: 3340.4
Cell parameters: 19.461; 9.2739; 20.008; 90; 112.325; 90;  

COD ID: 1547389
CIF file Formula: - C63 H47 O4 P Si2 -
Comments: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena Modular chiral gold(i) phosphite complexes Catalysis Science & Technology 3 (2013) 3007-3012
Space group: P 21 21 21
Cell volume: 5547.1
Cell parameters: 11.6873; 13.7576; 34.499; 90; 90; 90;  

COD ID: 1547402
CIF file Formula: - C24 H30 Cu3 Lu2 O36 -
Comments: Cancino, Patricio; Paredes-Garcia, Veronica; Torres, Julia; Martínez, Sebastián; Kremer, Carlos; Spodine, Evgenia {[Cu3Lu2(ODA)6(H2O)6]•10H2O}n . First heterometallic framework based on copper(II)/lutetium(III) for the catalytic oxidation of olefins and aromatic benzylic substrates. Catal. Sci. Technol. (2017)
Space group: P 6/m c c
Cell volume: 2675.1
Cell parameters: 14.021; 14.021; 15.713; 90; 90; 120;  

COD ID: 1547457
CIF file Formula: - C24 H30 N8 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 2290.6
Cell parameters: 9.4167; 14.0835; 17.8245; 80.071; 89.817; 79.781;  

COD ID: 1547458
CIF file Formula: - C26 H32 F6 N8 O6 S2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: C 1 2/c 1
Cell volume: 6687
Cell parameters: 30.0913; 10.7187; 23.0764; 90; 116.049; 90;  

COD ID: 1547459
CIF file Formula: - C18 H16 N2 O2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: C 1 2/c 1
Cell volume: 2843.6
Cell parameters: 15.7795; 8.7261; 21.0431; 90; 101.069; 90;  

COD ID: 1547460
CIF file Formula: - C19 H15 Cl N2 O2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 3115.93
Cell parameters: 10.335; 31.4198; 9.5959; 90; 90.414; 90;  

COD ID: 1547461
CIF file Formula: - C22 H28 Cl2 N8 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 1190.3
Cell parameters: 10.14276; 10.2202; 11.6711; 79.961; 89.7958; 87.646;  

COD ID: 1547462
CIF file Formula: - C29 H22 N2 O2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P b c a
Cell volume: 4224.72
Cell parameters: 19.4045; 7.14236; 30.4827; 90; 90; 90;  

COD ID: 1547463
CIF file Formula: - C24 H17 F3 N2 O2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P 1 n 1
Cell volume: 3831
Cell parameters: 9.8771; 10.6875; 36.521; 90; 96.428; 90;  

COD ID: 1547464
CIF file Formula: - C20 H18 N2 O2 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 1638.97
Cell parameters: 11.5272; 12.3657; 12.7398; 100.159; 112.561; 92.319;  

COD ID: 1547465
CIF file Formula: - C96 H82 N6 O5 -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 3662.21
Cell parameters: 11.9737; 15.384; 21.9422; 70.396; 80.794; 74.763;  

COD ID: 1547466
CIF file Formula: - C25 H23 Cl N2 O3 S -
Comments: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol. (2017)
Space group: P 1 21/n 1
Cell volume: 2244.73
Cell parameters: 9.1959; 11.7982; 21.0279; 90; 100.29; 90;  

COD ID: 1547792
CIF file Formula: - C6 H16 N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 1010.21
Cell parameters: 14.9581; 7.55701; 9.3623; 90; 107.339; 90;  

COD ID: 1547793
CIF file Formula: - C7 H10 N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 968.878
Cell parameters: 9.674; 12.4192; 8.5156; 90; 108.736; 90;  

COD ID: 1547794
CIF file Formula: - C8 H12 N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 1093.57
Cell parameters: 12.2151; 10.4607; 8.8902; 90; 105.704; 90;  

COD ID: 1547795
CIF file Formula: - C5 H5 Br N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: P -1
Cell volume: 855.53
Cell parameters: 8.3466; 10.4128; 10.9082; 113.523; 92.589; 97.987;  

COD ID: 1547796
CIF file Formula: - C6 H14 N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: C 1 2/c 1
Cell volume: 1941.18
Cell parameters: 13.0504; 12.1955; 12.2542; 90; 95.553; 90;  

COD ID: 1547797
CIF file Formula: - C14 H24 N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: P 1 21/m 1
Cell volume: 820.28
Cell parameters: 8.9052; 8.4384; 10.9159; 90; 90.016; 90;  

COD ID: 1547798
CIF file Formula: - C5 H5 Cl N O4 Re -
Comments: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B. Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts Catal. Sci. Technol. (2017)
Space group: P 1 21/c 1
Cell volume: 849.45
Cell parameters: 5.2446; 12.7123; 12.802; 90; 95.597; 90;  

COD ID: 1547864
CIF file Formula: - C43 H38 F3 Ir N4 O3 S -
Comments: Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers Catalysis Science & Technology (2017)
Space group: P 1 21/n 1
Cell volume: 3819.66
Cell parameters: 9.7977; 32.2237; 12.8805; 90; 110.07; 90;  

COD ID: 1547865
CIF file Formula: - C32 H27 Cl3 Ir N3 -
Comments: Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers Catalysis Science & Technology (2017)
Space group: P 1 21/n 1
Cell volume: 2864.94
Cell parameters: 16.7446; 8.57762; 21.5557; 90; 112.277; 90;  

COD ID: 1547866
CIF file Formula: - C33 H29 Cl3 Ir N3 -
Comments: Islamova, Regina M. M; Dobrynin, Mikhail V.; Vlasov, Andrey V.; Eremina, Anzhelika A.; Kinzhalov, Mikhail A.; Kolesnikov, Ilya E.; Zolotarev, Andrei; Masloborodova, Eleonora A.; Luzyanin, Konstantin Iridium(III)-catalysed cross-linking of polysiloxanes leading to the thermally resistant luminescent silicone rubbers Catalysis Science & Technology (2017)
Space group: P 1 21/n 1
Cell volume: 2971.73
Cell parameters: 17.0427; 8.6872; 21.3383; 90; 109.838; 90;  

COD ID: 1548131
CIF file Formula: - C44 H66 Ir2 N2 O4 P4 -
Comments: Cano, Israel; Martínez-Prieto, Luis M.; Vendier, Laure; van Leeuwen, Piet W. N. M. An iridium‒SPO complex as bifunctional catalyst for the highly selective hydrogenation of aldehydes Catalysis Science & Technology 8(1) (2018) 221
Space group: P 1 21/n 1
Cell volume: 2423.5
Cell parameters: 14.6367; 11.0939; 14.9574; 90; 93.785; 90;  

COD ID: 1548132
CIF file Formula: - C44 H42 Mn -
Comments: Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L. Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes Catalysis Science & Technology 8(1) (2018) 229
Space group: P 43
Cell volume: 3404.19
Cell parameters: 10.52378; 10.52378; 30.7376; 90; 90; 90;  

COD ID: 1548133
CIF file Formula: - C24 H27 Cl2 Co N7 O8 -
Comments: Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C. Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex Catalysis Science & Technology 8(1) (2018) 307
Space group: C 1 2/c 1
Cell volume: 5560.7
Cell parameters: 27.9963; 10.5409; 19.1609; 90; 100.453; 90;  

COD ID: 1548157
CIF file Formula: - C30 H44 N6 O12 S2 Zn2 -
Comments: Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst Catalysis Science & Technology 8(1) (2018) 335
Space group: P -4 21 c
Cell volume: 8022.32
Cell parameters: 20.4693; 20.4693; 19.1467; 90; 90; 90;  

COD ID: 1548362
CIF file Formula: - C15 H23 Br2 Co N3 O2 -
Comments: Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes Catalysis Science & Technology 8(2) (2018) 428
Space group: P 1 21/n 1
Cell volume: 1896.82
Cell parameters: 10.2514; 14.6308; 12.6552; 90; 92.105; 90;  

COD ID: 1548586
CIF file Formula: - C25 H17 Au Cl F4 N2 O P -
Comments: Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A. Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis Catalysis Science & Technology 8(3) (2018) 710
Space group: P 1 21/n 1
Cell volume: 4870.7
Cell parameters: 19.942; 10.9697; 24.135; 90; 112.7; 90;  

COD ID: 1548587
CIF file Formula: - C25 H17 Au Cl F4 N2 O P -
Comments: Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A. Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis Catalysis Science & Technology 8(3) (2018) 710
Space group: P 1 21/n 1
Cell volume: 2406.01
Cell parameters: 16.0034; 8.3754; 19.2521; 90; 111.188; 90;  

COD ID: 1548588
CIF file Formula: - C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -
Comments: Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A. Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis Catalysis Science & Technology 8(3) (2018) 710
Space group: P -1
Cell volume: 2509.4
Cell parameters: 11.051; 15.816; 16.857; 109.459; 103.933; 104.747;  

COD ID: 1548589
CIF file Formula: - C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -
Comments: Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A. Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis Catalysis Science & Technology 8(3) (2018) 710
Space group: P 1 21/c 1
Cell volume: 3781
Cell parameters: 18.453; 18.5065; 11.1568; 90; 97.085; 90;  

COD ID: 1548784
CIF file Formula: - C39.1 H24.5 Fe3 N2.1 O15.7 -
Comments: Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S. A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst Catalysis Science & Technology 8(5) (2018) 1267
Space group: P 1 21/c 1
Cell volume: 4103.1
Cell parameters: 12.6797; 13.5123; 23.948; 90; 90; 90;  

COD ID: 1548827
CIF file Formula: - C27 H33 Cl3 Cr N7 O2 -
Comments: Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P. From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands Catalysis Science & Technology 8(5) (2018) 1314
Space group: P b c a
Cell volume: 6138.53
Cell parameters: 18.2412; 14.5616; 23.1101; 90; 90; 90;  

COD ID: 1548828
CIF file Formula: - C25 H33 Cl3 Cr N7 O2 -
Comments: Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P. From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands Catalysis Science & Technology 8(5) (2018) 1314
Space group: P 1 21/c 1
Cell volume: 2845.85
Cell parameters: 18.3091; 11.3311; 13.9361; 90; 100.163; 90;  

COD ID: 1549079
CIF file Formula: - C43 H29 N6 O4 Ru -
Comments: Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou TiO2 modified with a Ru(ii)‒N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2 Catalysis Science & Technology 8(8) (2018) 2098
Space group: P 1 21/c 1
Cell volume: 4528
Cell parameters: 12.139; 15.53; 24.301; 90; 98.77; 90;  

COD ID: 1549242
CIF file Formula: - C18 H32 F3 Mn O6 P2 S -
Comments: Garduño, Jorge A.; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J. Mn(i) organometallics containing the iPr2P(CH2)2PiPr2 ligand for the catalytic hydration of aromatic nitriles Catalysis Science & Technology 8(10) (2018) 2606
Space group: P 21 21 21
Cell volume: 2420.8
Cell parameters: 8.6949; 13.9549; 19.9508; 90; 90; 90;  

COD ID: 1549488
CIF file Formula: - C15 H20 Cl2 O6 Pd -
Comments: Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P. Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand Catalysis Science & Technology 8(12) (2018) 3073
Space group: C 1 2/m 1
Cell volume: 888.76
Cell parameters: 11.6869; 8.8935; 8.551; 90; 90.223; 90;  

COD ID: 1549489
CIF file Formula: - C10 H8 F6 O4 Pd -
Comments: Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P. Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand Catalysis Science & Technology 8(12) (2018) 3073
Space group: P -1
Cell volume: 310.64
Cell parameters: 4.7881; 7.9629; 8.7923; 80.994; 77.33; 72.621;  

COD ID: 1549495
CIF file Formula: - C26 H44 Cl Ir N O7 P -
Comments: Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M. Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes Catalysis Science & Technology 8(12) (2018) 3133
Space group: P 1 21/c 1
Cell volume: 2876.77
Cell parameters: 15.0632; 12.3425; 16.2371; 90; 107.643; 90;  

COD ID: 1549496
CIF file Formula: - C26 H43 Ir N O7 P -
Comments: Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M. Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes Catalysis Science & Technology 8(12) (2018) 3133
Space group: P -1
Cell volume: 2894.1
Cell parameters: 7.7588; 15.5942; 24.116; 89.185; 82.743; 89.582;  

COD ID: 1549588
CIF file Formula: - C17 H16 O2 Se -
Comments: García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J. Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case Catalysis Science & Technology 8(14) (2018) 3617
Space group: P 1
Cell volume: 370.28
Cell parameters: 6.7562; 7.5182; 8.7692; 107.83; 98.976; 113.06;  

COD ID: 1549589
CIF file Formula: - C15 H23 Br2 Co N3 O2 -
Comments: Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex Catalysis Science & Technology 8(14) (2018) 3469
Space group: P 1 21/n 1
Cell volume: 1896.82
Cell parameters: 10.2514; 14.6308; 12.6552; 90; 92.105; 90;  

COD ID: 1549590
CIF file Formula: - C15 H29 B2 Cl2 Co F8 N5 O -
Comments: Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex Catalysis Science & Technology 8(14) (2018) 3469
Space group: P -1
Cell volume: 1162.5
Cell parameters: 6.838; 13.077; 13.377; 89.44; 78.44; 82.78;  

COD ID: 1549609
CIF file Formula: - C28 H18 Cu3 N10 O15 -
Comments: Ahmad, Nazir; Younus, Hussein A.; Chughtai, Adeel H.; Van Hecke, Kristof; Khattak, Zafar A. K.; Gaoke, Zhang; Danish, Muhammad; Verpoort, Francis Synthesis of 2D MOF having potential for efficient dye adsorption and catalytic applications Catalysis Science & Technology 8(16) (2018) 4010
Space group: C 1 2/c 1
Cell volume: 8661.8
Cell parameters: 31.977; 18.3536; 14.7633; 90; 91.413; 90;  

COD ID: 1549715
CIF file Formula: - C86 H157 K2 Mn8 N O42 -
Comments: Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation Catalysis Science & Technology 8(17) (2018) 4390
Space group: P 1 21/n 1
Cell volume: 5920
Cell parameters: 18.998; 15.678; 20.236; 90; 100.84; 90;  

COD ID: 1549739
CIF file Formula: - C8 H4.19 Al I0.82 O5 -
Comments: Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F. Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine Catalysis Science & Technology 8(17) (2018) 4349
Space group: I m m a
Cell volume: 1442.9
Cell parameters: 16.501; 6.6194; 13.21; 90; 90; 90;  

COD ID: 1549740
CIF file Formula: - C8 H4.3 Al I0.7 O5.25 -
Comments: Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F. Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine Catalysis Science & Technology 8(17) (2018) 4349
Space group: I m m a
Cell volume: 1385.3
Cell parameters: 17.107; 6.622; 12.229; 90; 90; 90;  

COD ID: 1549749
CIF file Formula: - C31 H53 Rh2 S2 -
Comments: Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E. Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids Catalysis Science & Technology 8(17) (2018) 4373
Space group: P 1 21/n 1
Cell volume: 2937.7
Cell parameters: 10.855; 28.6007; 10.8441; 90; 119.239; 90;  

COD ID: 1549750
CIF file Formula: - C40 H74 Rh2 S2 -
Comments: Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E. Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids Catalysis Science & Technology 8(17) (2018) 4373
Space group: P 1 21/m 1
Cell volume: 1977.6
Cell parameters: 8.734; 26.987; 8.39; 90; 90; 90;  

COD ID: 1549855
CIF file Formula: - C21 H33 Cl2 N Si Ti -
Comments: Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis Catalysis Science & Technology 8(21) (2018) 5454
Space group: P -1
Cell volume: 1134.41
Cell parameters: 8.268; 11.8794; 12.9943; 71.395; 78.04; 70.734;  

COD ID: 1549856
CIF file Formula: - C32 H49 Cl2 N Si Ti -
Comments: Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis Catalysis Science & Technology 8(21) (2018) 5454
Space group: P -1
Cell volume: 1635.29
Cell parameters: 9.966; 12.4507; 15.2615; 112.445; 108.902; 90.786;  

COD ID: 1549857
CIF file Formula: - C20 H31 Cl2 N Si Ti -
Comments: Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis Catalysis Science & Technology 8(21) (2018) 5454
Space group: P 1 21/c 1
Cell volume: 2209.7
Cell parameters: 11.5225; 12.9843; 15.2891; 90; 104.979; 90;  

COD ID: 1549858
CIF file Formula: - C23 H26 Ir N O3 -
Comments: Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines Catalysis Science & Technology 8(24) (2018) 6316
Space group: P b c a
Cell volume: 4067.36
Cell parameters: 16.13031; 14.54437; 17.33703; 90; 90; 90;  

COD ID: 1549873
CIF file Formula: - C28 H34 Cl Ir N2 -
Comments: Wong, Chin Min; Fekete, Marianna; Nelson-Forde, Rhianna; Gatus, Mark R. D.; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.; Messerle, Barbara A. Harnessing asymmetric N-heterocyclic carbene ligands to optimise SABRE hyperpolarisation. Catalysis science & technology 8(19) (2018) 4925-4933
Space group: P -1
Cell volume: 1228.72
Cell parameters: 9.7423; 11.066; 12.1673; 100.717; 104.685; 96.543;  

COD ID: 1549904
CIF file Formula: - C17 H21 N O2 S -
Comments: Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study Catalysis Science & Technology 8(20) (2018) 5251
Space group: P -1
Cell volume: 749.62
Cell parameters: 7.4134; 8.4142; 12.1239; 84.72; 88.99; 84.549;  

COD ID: 1549905
CIF file Formula: - C16 H22 O4 -
Comments: Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study Catalysis Science & Technology 8(20) (2018) 5251
Space group: P -1
Cell volume: 725.21
Cell parameters: 6.2605; 9.8392; 12.7844; 67.7938; 88.4599; 84.1325;  

COD ID: 1549933
CIF file Formula: - C49 H50 N6 O Y -
Comments: Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates Catalysis Science & Technology 8(21) (2018) 5573
Space group: P 1 2/n 1
Cell volume: 4511
Cell parameters: 22.637; 9.781; 23.089; 90; 118.062; 90;  

COD ID: 1550033
CIF file Formula: - C37 H46 B Cl2 Cu F4 N8 -
Comments: Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies Catalysis Science & Technology 8(22) (2018) 5763
Space group: P 1 21/c 1
Cell volume: 7897.6
Cell parameters: 20.808; 31.071; 12.2164; 90; 90.694; 90;  

COD ID: 1550034
CIF file Formula: - C33.5 H41 Cl Cu F3 N4 O3 S -
Comments: Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies Catalysis Science & Technology 8(22) (2018) 5763
Space group: P 1 21/n 1
Cell volume: 3325.86
Cell parameters: 12.3905; 19.0233; 14.481; 90; 102.996; 90;  

COD ID: 1550035
CIF file Formula: - C37 H44 Cu F3 N4 O3 S -
Comments: Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies Catalysis Science & Technology 8(22) (2018) 5763
Space group: P -1
Cell volume: 1884.64
Cell parameters: 9.1002; 10.9858; 19.3481; 89.693; 79.192; 82.793;  

COD ID: 1550044
CIF file Formula: - C22 H26 I Ir N4 -
Comments: Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta Iridium‒NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple Catalysis Science & Technology 8(23) (2018) 6137
Space group: P -1
Cell volume: 1143.69
Cell parameters: 8.5611; 10.9802; 13.2254; 109.051; 102.4; 90.413;  

COD ID: 1550236
CIF file Formula: - C22 H23 N -
Comments: Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept Catalysis Science & Technology 8(24) (2018) 6486
Space group: P -1
Cell volume: 854.8
Cell parameters: 9.7438; 9.9224; 10.984; 64.086; 78.354; 63.503;  

COD ID: 1550237
CIF file Formula: - C24 H27 N -
Comments: Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept Catalysis Science & Technology 8(24) (2018) 6486
Space group: P -1
Cell volume: 940.16
Cell parameters: 8.3046; 10.7954; 12.0469; 109.64; 100.96; 104.352;  

COD ID: 1550265
CIF file Formula: - C38 H60 Mo13 N10 O34 -
Comments: Luo, Benlong; Sang, Rui-LI; Lin, Lifang; Xu, Li Mo3IV-Polyoxomolybdates with Frustrated Lewis Pairs For High-Performance Hydrogenation Catalysis Catalysis Science & Technology (2019)
Space group: C m c m
Cell volume: 7774
Cell parameters: 24.715; 23.137; 13.595; 90; 90; 90;  

COD ID: 1550279
CIF file Formula: - C20 H32 Cl4 Co2 N4 S2 -
Comments: Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G. Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 1362.03
Cell parameters: 7.6862; 11.1085; 17.7851; 72.8236; 88.0499; 70.2746;  

COD ID: 1550280
CIF file Formula: - C11 H18 Cl2 Co N2 S -
Comments: Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G. Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 713.18
Cell parameters: 7.0681; 9.014; 12.2372; 108.21; 98.899; 99.291;  

COD ID: 1550289
CIF file Formula: - C53.5 H66 Cl3 N4 O1.5 Ru -
Comments: DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 5212.6
Cell parameters: 11.961; 16.591; 26.614; 93.877; 90.681; 98.321;  

COD ID: 1550290
CIF file Formula: - C63 H82 Cl2 N4 Ru -
Comments: DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 5635.3
Cell parameters: 11.206; 15.0047; 33.7602; 90; 96.909; 90;  

COD ID: 1550291
CIF file Formula: - C53 H62 Cl2 N4 Ru -
Comments: DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2326.2
Cell parameters: 12.017; 12.562; 16.608; 80.103; 89.839; 70.644;  

COD ID: 1550292
CIF file Formula: - C56 H68 Cl4 N4 Ru -
Comments: DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 5144.4
Cell parameters: 21.792; 10.9906; 22.5146; 90; 107.445; 90;  

COD ID: 1550400
CIF file Formula: - C55 H66 Cl2 N4 Ru -
Comments: Dumas, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénael; Tripoteau, Fabien; Caijo, Frédéric; Queval, Pierre; Rouen, Mathieu; Baslé, Olivier; Mauduit, Marc Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2387.6
Cell parameters: 10.9047; 11.6314; 19.7689; 95.343; 101.998; 100.664;  

COD ID: 1550519
CIF file Formula: - C26 H34 B N O4 S -
Comments: Cabrera-Lobera, Natalia; Quirós, M. Teresa; Buñuel, Elena; Cardenas, Diego J. Atom-Economical Regioselective Ni-Catalyzed Hydroborylative Cyclization of Enynes: Development and Mechanism Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 2474.9
Cell parameters: 6.4192; 32.5924; 11.989; 90; 99.366; 90;  

COD ID: 1550589
CIF file Formula: - C45 H61 Cl N4 Ni O2 -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 4140
Cell parameters: 13.217; 20.737; 16.3; 90; 112.083; 90;  

COD ID: 1550590
CIF file Formula: - C45 H52 Br N4 Ni O2 -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 4040
Cell parameters: 13.1252; 20.65; 16.188; 90; 112.956; 90;  

COD ID: 1550591
CIF file Formula: - C45 H50 N5 Ni -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 3809
Cell parameters: 14.185; 10.668; 25.257; 90; 94.686; 90;  

COD ID: 1550592
CIF file Formula: - C94 H104 Br2 N8 Ni2 O -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 4127.5
Cell parameters: 12.62; 16.578; 20.317; 77.4; 84.597; 86.947;  

COD ID: 1550593
CIF file Formula: - C49 H54 N5 Ni -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 4192.1
Cell parameters: 11.812; 21.544; 16.48; 90; 91.636; 90;  

COD ID: 1550594
CIF file Formula: - C46 H46 N3 Ni -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 7896.8
Cell parameters: 29.913; 13.087; 20.428; 90; 99.079; 90;  

COD ID: 1550595
CIF file Formula: - C57 H69 N5 Ni O -
Comments: Inatomi, Takahiro; Fukahori, Yukino; Yamada, Yuji; Ishikawa, Ryuta; Kanegawa, Shinji; Koga, Yuji; Matsubara, Kouki Ni(I)-Ni(III) Cycle in Buchwald-Hartwig Amination of Aryl Bromide Mediated by NHC-ligated Ni(I) Complexes Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2543.1
Cell parameters: 12.662; 12.701; 16.94; 72.52; 78.286; 84.831;  

COD ID: 1550632
CIF file Formula: - C15 H18 N2 O S -
Comments: Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 1394.15
Cell parameters: 5.9659; 16.3145; 14.5127; 90; 99.253; 90;  

COD ID: 1550633
CIF file Formula: - C12 H12 O2 S -
Comments: Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology (2019)
Space group: P b c a
Cell volume: 2249
Cell parameters: 16.151; 7.314; 19.036; 90; 90; 90;  

COD ID: 1550634
CIF file Formula: - C9 H14 N2 O S -
Comments: Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 995.14
Cell parameters: 7.5382; 12.2061; 10.8739; 90; 95.949; 90;  

COD ID: 1550635
CIF file Formula: - C15 H16 O2 S -
Comments: Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 1353
Cell parameters: 11.978; 7.388; 16.198; 90; 109.288; 90;  

COD ID: 1550749
CIF file Formula: - C9 H9 N7 O -
Comments: Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation Catalysis Science & Technology (2019)
Space group: P n a 21
Cell volume: 1023.7
Cell parameters: 12.569; 22.176; 3.6728; 90; 90; 90;  

COD ID: 1550750
CIF file Formula: - C36 H40 N14 Ni3 O22 -
Comments: Wang, Chunling; Song, Chuanqqi; Shen, Wen-Hui; Qi, Yuan-Yuan; Xue, Ying; Shi, Yao-Cheng; Yu, Huaguang; Feng, Ligang A two-dimensional Ni(II) coordination polymer based on 3,5-bis(1’,2’,4’-triazol-1’-yl) pyridine ligand for water electro-oxidation Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 5043.1
Cell parameters: 20.1497; 7.1876; 34.937; 90; 94.669; 90;  

COD ID: 1550762
CIF file Formula: - C45 H63 Cl2 Fe N3 O -
Comments: Wang, Zheng; Zhang, Randi; Zhang, Wenjuan; Solan, Gregory; Liu, Qingbin; tongling, liang; Sun, Wen Hua Enhancing thermostability of iron ethylene polymerization catalysts through N,N,N-chelation of doubly fused α,α′-bis(arylimino)-2,3:5,6-bis(hexamethylene)pyridines Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 8289.7
Cell parameters: 13.3638; 34.6037; 18.3685; 90; 102.6; 90;  

COD ID: 1550763
CIF file Formula: - C41 H55 Cl4 Fe2 N3 O -
Comments: Wang, Zheng; Zhang, Randi; Zhang, Wenjuan; Solan, Gregory; Liu, Qingbin; tongling, liang; Sun, Wen Hua Enhancing thermostability of iron ethylene polymerization catalysts through N,N,N-chelation of doubly fused α,α′-bis(arylimino)-2,3:5,6-bis(hexamethylene)pyridines Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 4226
Cell parameters: 12.228; 21.82; 16.338; 90; 104.2; 90;  

COD ID: 1550781
CIF file Formula: - C42 H81 As2 Co K5 Mo12 N6 O74 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2430.98
Cell parameters: 11.6422; 12.1336; 17.7687; 76.661; 89.632; 84.551;  

COD ID: 1550782
CIF file Formula: - C42 H83 As2 K5 Mo12 N6 Ni O75 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2428.46
Cell parameters: 11.6585; 12.1103; 17.742; 76.859; 89.702; 84.663;  

COD ID: 1550783
CIF file Formula: - C42 H86 Co Cs4 Mo12 N6 Na2 O78 Te2 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2615.9
Cell parameters: 11.7267; 12.4654; 18.6945; 74.384; 85.99; 84.238;  

COD ID: 1550784
CIF file Formula: - C42 H75 Cs4 K Mo12 N6 O72 Te2 Zn -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2581.64
Cell parameters: 11.6855; 12.386; 18.6191; 74.699; 85.651; 83.954;  

COD ID: 1550785
CIF file Formula: - C16 H78 As2 Co2 Mo12 N4 O75 Rb2 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 4508.6
Cell parameters: 13.8787; 23.7424; 15.8044; 90; 120.032; 90;  

COD ID: 1550786
CIF file Formula: - C16 H82 As2 Mo12 N4 O77 Rb2 Zn2 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 4518.8
Cell parameters: 13.8717; 23.7484; 15.8204; 90; 119.884; 90;  

COD ID: 1550787
CIF file Formula: - C42 H83 Cs4 K Mn Mo12 N6 O76 Te2 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2550.9
Cell parameters: 11.651; 12.303; 18.63; 74.094; 85.386; 84.132;  

COD ID: 1550788
CIF file Formula: - C42 H85 As2 K5 Mn Mo12 N6 O76 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2411.63
Cell parameters: 11.6211; 12.093; 17.7264; 76.501; 89.846; 84.725;  

COD ID: 1550789
CIF file Formula: - C16 H71 As2 K2 Mn2 Mo12 N4 Na O72 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 4366
Cell parameters: 13.702; 23.542; 15.546; 90; 119.466; 90;  

COD ID: 1550790
CIF file Formula: - C42 H81 As2 K5 Mo12 N6 O74 Zn -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2427.2
Cell parameters: 11.6516; 12.123; 17.7391; 76.692; 89.874; 84.635;  

COD ID: 1550791
CIF file Formula: - C42 H70 Cs4 K2 Mo12 N6 Ni O70 Te2 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2578
Cell parameters: 11.686; 12.336; 18.569; 75.76; 86.017; 84.106;  

COD ID: 1550792
CIF file Formula: - C16 H99 As2 Mo12 N4 Na Ni2 O86 Rb2 -
Comments: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 4510.4
Cell parameters: 13.842; 23.8125; 14.9785; 90; 113.996; 90;  

COD ID: 1550881
CIF file Formula: - C20 H11 Br O4 S -
Comments: Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N. Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds Catalysis Science & Technology (2019)
Space group: P 1 21 1
Cell volume: 810.52
Cell parameters: 5.7841; 12.278; 11.6933; 90; 102.57; 90;  

COD ID: 1550882
CIF file Formula: - C20 H11 Br O2 S -
Comments: Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N. Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 804.28
Cell parameters: 8.0446; 9.3059; 11.5017; 106.28; 102.659; 90.396;  

COD ID: 1550883
CIF file Formula: - C32 H29 B F2 N2 O S2 -
Comments: Almeida, Renata G.; Carvalho, Renato; Nunes, Mateus P.; Gomes, Roberto; Pedrosa, Leandro; Simone, Carlos; Elumalai, Gopi; Geertsen, Valerie; Gravel, Edmond; Doris, Eric; da Silva Júnior, Eufrânio N. Carbon nanotube-ruthenium hybrid towards mild oxidation of sulfides to sulfones: Efficient synthesis of diverse sulfonyl compounds Catalysis Science & Technology (2019)
Space group: I 1 a 1
Cell volume: 2798.4
Cell parameters: 18.217; 7.6976; 20.1851; 90; 98.631; 90;  

COD ID: 1550934
CIF file Formula: - C32 H48 Cl2 Ir2 N4 O4 Si4 -
Comments: Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2 Catalysis Science & Technology (2019)
Space group: I 1 2/a 1
Cell volume: 8209.6
Cell parameters: 17.8492; 10.6328; 43.5137; 90; 96.227; 90;  

COD ID: 1550935
CIF file Formula: - C38 H53 F6 Ir2 N4 O8.5 Si4 -
Comments: Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2 Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 2454.4
Cell parameters: 11.4358; 13.0237; 17.6415; 90.226; 106.899; 101.886;  

COD ID: 1550941
CIF file Formula: - C18 H16 Mn2 N6 O8 -
Comments: Pinto, Mara F.; Olivares, Marta; Vivancos, Angela; Guisado Barrios, Gregorio; Albrecht, Martin; Royo, Beatriz (Di)Triazolylidene Manganese Complexes in Catalytic Oxidation of Alcohols to Ketones and Aldehydes Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 2237.78
Cell parameters: 14.6208; 10.5924; 15.2131; 90; 108.231; 90;  

COD ID: 1551065
CIF file Formula: - C30 H34 Cl Fe N3 -
Comments: Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F. Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes Catalysis Science & Technology (2019)
Space group: P 1 21 1
Cell volume: 1375.21
Cell parameters: 8.9968; 18.444; 9.3737; 90; 117.856; 90;  

COD ID: 1551066
CIF file Formula: - C39 H51 Fe N2 -
Comments: Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F. Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 1690.7
Cell parameters: 9.606; 10.504; 17.317; 103.9; 93.89; 91.43;  

COD ID: 1551067
CIF file Formula: - C46 H42 Cl Fe N3 -
Comments: Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F. Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes Catalysis Science & Technology (2019)
Space group: P 1 21/c 1
Cell volume: 4158.9
Cell parameters: 20.583; 11.705; 19.314; 90; 116.648; 90;  

COD ID: 1551068
CIF file Formula: - C69 H93 Fe2 N5 -
Comments: Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F. Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 3732.4
Cell parameters: 14.0411; 16.3354; 17.4433; 107.001; 92.917; 100.939;  

COD ID: 1551866
CIF file Formula: - C40 H39 Cu3 N8 O16.5 -
Comments: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure Catalysis Science & Technology (2019)
Space group: P 1 2/c 1
Cell volume: 4239.3
Cell parameters: 16.471; 13.801; 18.659; 90; 91.86; 90;  

COD ID: 1551867
CIF file Formula: - C24 H20 Cu2 N4 O11 -
Comments: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 2412.4
Cell parameters: 14.695; 5.165; 31.873; 90; 94.29; 90;  

COD ID: 1551868
CIF file Formula: - C12 H8 Cu N2 O4 -
Comments: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 1079
Cell parameters: 7.8977; 13.599; 10.051; 90; 91.65; 90;  

COD ID: 1551869
CIF file Formula: - C7 H5 Cu N O5 -
Comments: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 774.4
Cell parameters: 12.072; 10.473; 7.6968; 90; 127.27; 90;  

COD ID: 1551870
CIF file Formula: - C68 H44 Cu6 N12 O16 -
Comments: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure Catalysis Science & Technology (2019)
Space group: C 1 2/c 1
Cell volume: 6180
Cell parameters: 41.526; 10.852; 13.786; 90; 95.84; 90;  

COD ID: 1551871
CIF file Formula: - C10 H13 Cu N2 O6 -
Comments: Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 1166.9
Cell parameters: 6.421; 15.619; 11.765; 90; 98.52; 90;  

COD ID: 1552107
CIF file Formula: - C45 H31 Cl N4 Zn -
Comments: Ge, Yuansheng; Cheng, Guoe; Xu, Nanfeng; Wang, Weizhou; Ke, Hanzhong Zinc 2-N-Methyl N-confused porphyrin: An Efficient Catalyst for the Conversion of CO2 into Cyclic Carbonates Catalysis Science & Technology (2019)
Space group: I 1 2/a 1
Cell volume: 7752.2
Cell parameters: 18.7682; 13.7292; 31.4518; 90; 106.951; 90;  

COD ID: 1552138
CIF file Formula: - C18 H15 N O2 -
Comments: Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 693.81
Cell parameters: 6.1964; 8.1764; 14.4347; 94.139; 93.272; 107.361;  

COD ID: 1552139
CIF file Formula: - C25 H21 N O3 -
Comments: Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 2015.61
Cell parameters: 8.2186; 14.7157; 16.7006; 90; 93.695; 90;  

COD ID: 1552140
CIF file Formula: - C22 H17 N O -
Comments: Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group Catalysis Science & Technology (2019)
Space group: P 1 21/n 1
Cell volume: 1639
Cell parameters: 6.0929; 16.8891; 15.9338; 90; 91.658; 90;  

COD ID: 1552141
CIF file Formula: - C19 H17 N O3 -
Comments: Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 777.03
Cell parameters: 6.9823; 10.9866; 11.6209; 110.95; 97.555; 105.365;  

COD ID: 1552142
CIF file Formula: - C19 H17 N O4 -
Comments: Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael Site-selective Ru-catalyzed C-H bond alkenylation with biologically relevant isoindolinones: a case of catalyst performance controlled by subtle stereo-electronic effects of the weak directing group Catalysis Science & Technology (2019)
Space group: P -1
Cell volume: 767.69
Cell parameters: 7.0659; 10.6181; 11.7282; 111.09; 100.172; 102.895;  

COD ID: 1552351
CIF file Formula: - C69 H70 B2 N6 Ni -
Comments: Sethuraman, Muthuramalingam; Anandababu, Karunanithi; Velusamy, Marappan; Ramasamy, Mayilmurugan One Step Phenol Synthesis from Benzene Catalysed by Nickel(II) Complexes Catalysis Science & Technology (2019)
Space group: P b c a
Cell volume: 11783.4
Cell parameters: 35.8282; 18.7973; 17.4964; 90; 90; 90;  


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