Crystallography Open Database

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1572069 CIFC34.5 H37 Fe N3 O3P 1 21/c 111.389; 28.6159; 10.6867
90; 117.667; 90
3084.6Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias
2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions
Catalysis Science & Technology, 2024, 14, 4522-4532
1572070 CIFC25 H23 Fe N3 O3P 1 21/n 17.1127; 14.31; 21.7165
90; 98.189; 90
2187.83Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias
2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions
Catalysis Science & Technology, 2024, 14, 4522-4532
1572204 CIFC44 H49 Br2 Cl2 N3 NiP 19.529; 9.7708; 13.6707
93.325; 107.464; 114.272
1082.49Norouzinyanlakvan, Somayeh; Ovens, Jeffrey; Richeson, Darrin
Electrocatalytic reduction of nitrite to ammonium ion using Ni(ii) complexes with redox-active di(imino)pyridine ligands
Catalysis Science & Technology, 2024, 14, 5422-5429
1572223 CIFC30 H25 N O2 SP 1 21/n 19.7333; 15.2824; 16.1184
90; 91.158; 90
2397.09Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.
Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles
Catalysis Science & Technology, 2024, 14, 5671-5677
1572224 CIFC49 H40 N2 O4 SP 21 21 219.2439; 14.8214; 28.8605
90; 90; 90
3954.11Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.
Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles
Catalysis Science & Technology, 2024, 14, 5671-5677
1572225 CIFC24 H18 O6I 1 2/c 113.71; 8.846; 16.24
90; 93.51; 90
1966Biswas, Subir; Barman, Dipankar; Dutta, Priyanka; Gour, Nand K.; Lee, Seonghwan; Kim, Donguk; Park, Young-Bin; Bora, Tonmoy J.; Devi, Arpita; Khanam, Salma A.; Saikia, Lakshi; Karunakar, Galla V.; Zaki, Magdi E. A.; Bania, Kusum K.
Ru-nanoparticles supported on zeolite-Y for ortho-benzylation of phenols and activation of H2O2 for selective synthesis of BINOLs
Catalysis Science & Technology, 2024, 14, 5234-5256
1572236 CIFC22 H25 Fe NP 1 21 110.888; 7.319; 11.07
90; 91.77; 90
881.74Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang
Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction
Catalysis Science & Technology, 2024, 14, 5608-5615
1572237 CIFC65 H36 Co F10 N4 O2 PP 1 21/c 18.8638; 27.6166; 22.2046
90; 93.367; 90
5426Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang
Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction
Catalysis Science & Technology, 2024, 14, 5608-5615
1572249 CIFC32 H47 Cu N O3 P3P 1 21/n 112.7674; 17.7058; 15.0682
90; 105.218; 90
3286.8Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.
New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2
Catalysis Science & Technology, 2024, 14, 5394-5404
1572250 CIFC28 H39 Cu N O3 P3P 21 21 2110.4119; 15.363; 18.5644
90; 90; 90
2969.5Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.
New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2
Catalysis Science & Technology, 2024, 14, 5394-5404
1572251 CIFC22 H36 Cu Fe N O3 P2P -18.6246; 9.3841; 17.1248
91.601; 97.997; 100.216
1348.77Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.
New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2
Catalysis Science & Technology, 2024, 14, 5394-5404
1572544 CIFC28 H26 N2 O2 SP 1 21/n 118.3937; 9.9807; 26.3497
90; 104.753; 90
4677.9Kumar, Manish; Singh, Bharat; Singh, Sugandha; Verma, Indresh; Kar, Kamal K.; Ghorai, Manas K.
A metal-free route to substituted imidazolidines via ring-opening cyclization (ROC) of activated aziridines with N-benzylanilines: DA-COP catalyzed photo-oxidative C–H activation
Catalysis Science & Technology, 2024, 14, 6411-6419
1572582 CIFC20 H26 F18 Fe N14 P3P 1 21/c 19.2748; 17.666; 11.4201
90; 104.193; 90
1814.05Zámbó, Greta G.; Esslinger, Carla A.; Sauer, Michael J.; Rüter, Isabelle; Reich, Robert M.; Demeshko, Serhiy; Meyer, Franc; Kühn, Fritz E.
Exploring the impact of abnormal coordination in macrocyclic N-heterocyclic carbene ligands on bio-inspired iron epoxidation catalysis
Catalysis Science & Technology, 2024, 14, 6259-6269
1572610 CIFC24 H126 Cl12 N8 O57 Zr6I 2 2 218.7285; 15.0456; 16.9428
90; 90; 90
4774.17García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1572611 CIFC40 H118 Cl12 N8 O37 Zr6P 112.0405; 12.6719; 15.9325
98.769; 99.955; 108.458
2214.6García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1572612 CIFC72 H141 Cl12 N8 O48.5 Zr6I 2 326.0034; 26.0034; 26.0034
90; 90; 90
17582.9García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1572613 CIFC88 H186 Cl12 N16 O67 Zr6P 118.5786; 20.219; 21.8305
102.24; 93.269; 111.66
7365.1García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1572614 CIFC72 H158 Cl12 N8 O65 Zr6P 21 21 228.1804; 26.0321; 17.6857
90; 90; 90
12974.1García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1572694 CIFC46 H62 Cu4 N14 O22P -16.9906; 13.5843; 16.4969
111.425; 91.674; 104.299
1400.71Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa
Copper cluster complex-catalyzed C–S bond formation
Catalysis Science & Technology, 2024, 14, 6609-6620
1572695 CIFC80 H88 Cu8 N24 O36C 1 2/c 123.249; 24.663; 19.015
90; 114.638; 90
9910Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa
Copper cluster complex-catalyzed C–S bond formation
Catalysis Science & Technology, 2024, 14, 6609-6620
1572696 CIFC64 H58 Cu4 N8 O14I 1 2/a 124.8301; 11.1779; 25.5838
90; 117.139; 90
6319Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa
Copper cluster complex-catalyzed C–S bond formation
Catalysis Science & Technology, 2024, 14, 6609-6620
1572997 CIFC26 H22 N5 PP 1 21/n 19.7622; 11.3546; 20.4691
90; 90.507; 90
2268.83Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
Catalysis Science & Technology, 2024, 14, 5959-5969
1572998 CIFC27 H22 Cl F3 N5 Ni O3 P SP -18.5305; 9.4375; 17.6861
90.703; 98.984; 99.254
1387.06Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
Catalysis Science & Technology, 2024, 14, 5959-5969
1572999 CIFC25 H19 Cl N5 Ni PI 1 2/a 121.2519; 10.0002; 24.7491
90; 114.089; 90
4801.7Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
Catalysis Science & Technology, 2024, 14, 5959-5969
1573000 CIFC22 H28 Cl F3 N5 Ni O3 P SP n a 2117.3501; 10.6515; 14.9182
90; 90; 90
2757Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
Catalysis Science & Technology, 2024, 14, 5959-5969
1573001 CIFC48 H62 Cl2 N10 Ni2 O P2P -17.8912; 8.8336; 18.4362
85.707; 85.978; 74.077
1230.7Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
Catalysis Science & Technology, 2024, 14, 5959-5969
1573002 CIFC52 H40 Cl2 F6 N10 Ni2 O6 P2 S2R -3 :H42.93; 42.93; 16.9889
90; 90; 120
27116Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
Catalysis Science & Technology, 2024, 14, 5959-5969
1573093 CIFC29 H24 Ag Cl N2C 1 2/c 113.0868; 15.0378; 12.4442
90; 91.317; 90
2448.3Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
IBzH (IBenzhydryl): sterically-flexible N-aliphatic N-heterocyclic carbenes (NHCs) for iron-catalyzed C(sp3)–C(sp2) cross-coupling of unactivated haloalkanes
Catalysis Science & Technology, 2024, 14, 7002-7008
1573094 CIFC29 H24 N2 SeP 1 21/n 18.3091; 25.5056; 11.3577
90; 107.935; 90
2290.06Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
IBzH (IBenzhydryl): sterically-flexible N-aliphatic N-heterocyclic carbenes (NHCs) for iron-catalyzed C(sp3)–C(sp2) cross-coupling of unactivated haloalkanes
Catalysis Science & Technology, 2024, 14, 7002-7008
1573241 CIFC72 H86 O9 P4 Ru2C 1 2/c 113.34263; 22.71892; 22.67074
90; 98.27; 90
6800.72Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573242 CIFC59 H69 O6 P2 RuP -113.32259; 13.34539; 17.15744
103.497; 94.3216; 118.437
2545.56Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573243 CIFC42 H34 O6 P2 RuP -4 21 c14.82724; 14.82724; 16.45463
90; 90; 90
3617.5Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573244 CIFC34 H38 P2 RuI 1 2/a 120.4141; 13.33648; 22.581
90; 104.798; 90
5943.81Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573245 CIFC41 H52 O6 P2 RuP 1 21/n 111.0204; 20.042; 18.3864
90; 97.977; 90
4021.72Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573246 CIFC61 H52 Cl2 F12 O9 P4 Ru2P 1 21/c 119.9752; 19.5957; 16.0602
90; 96.739; 90
6243Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573247 CIFC41 H36 O6 P2 RuP b c a17.3865; 18.59091; 22.10176
90; 90; 90
7143.97Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573248 CIFC338 H309 O41 P16 Ru8P -114.1251; 23.585; 23.8891
88.9659; 76.443; 76.138
7505.2Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573249 CIFC99 H114 O10 P4 Ru2P 1 21/n 113.8453; 24.5721; 29.3748
90; 101.926; 90
9777.8Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich
Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis
Catalysis Science & Technology, 2025, 15, 355-375
1573308 CIFC39 H55 Cl N2 O2 P2 RuP 1 21/c 110.6687; 15.5241; 22.9366
90; 92.854; 90
3794.1Donnelly, Laurie J.; Gelfand, Benjamin S.; Piers, Warren E.
Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands
Catalysis Science & Technology, 2025, 15, 100-106
1573379 CIFC12 H12 I2 N2 ZnC 1 2/c 116.3937; 11.8607; 16.2836
90; 108.595; 90
3000.91García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1573380 CIFC12 H10 I2 N2 ZnP -15.8775; 8.0332; 15.8128
102.779; 91.996; 91.958
727García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
1573417 CIFC18 H20 Cl N O Pd SeP -19.2684; 13.6019; 14.1589
86.53; 85.322; 82.685
1762.29Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant
Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)
Catalysis Science & Technology, 2025, 15, 523-536
1573418 CIFC24 H26 Cl N O Pd SeP 1 21/c 16.7272; 20.8455; 15.5747
90; 92.371; 90
2182.2Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant
Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)
Catalysis Science & Technology, 2025, 15, 523-536
1573436 CIFC20 H27 Br Co N3 O5P 1 21/c 19.5864; 13.892; 17.545
90; 100.802; 90
2295.1Sahoo, Sangita; Pandey, Vipin K.; Barik, Jogendrananda; Rit, Arnab
Cobalt–NHC promoted selective functionalization of alkynes via auxiliary-ligand modulation
Catalysis Science & Technology, 2025, 15, 734-740
1573473 CIFC11 H11 Cl2 N3 O2 PdI 1 2/a 119.6202; 9.6407; 14.9332
90; 91.131; 90
2824.1Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin
Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.
Catalysis science & technology, 2025, 15, 867-877
1573474 CIFC19 H20 Cl2 N4 O PdP 1 21/n 111.62997; 14.78476; 11.92053
90; 105.047; 90
1979.42Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin
Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.
Catalysis science & technology, 2025, 15, 867-877
1573475 CIFC14 H18 Cl2 N4 O PdP 21 21 218.91557; 10.26115; 18.9836
90; 90; 90
1736.7Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin
Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.
Catalysis science & technology, 2025, 15, 867-877
1573476 CIFC12 H14 Cl2 N4 O PdP c c n10.9705; 23.0363; 14.0725
90; 90; 90
3556.4Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin
Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.
Catalysis science & technology, 2025, 15, 867-877
1573544 CIFC11 H21 B O3 SP 1 21/c 113.0315; 6.515; 15.334
90; 98.689; 90
1286.9Kumar, Ashok; Gupta, Rohit; Subramaniyan, Vasudevan; Mani, Ganesan
DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either formoxy- or methoxyborane under mild conditions and C-methylenation of indoles
Catalysis Science & Technology, 2025, 15, 678-688
1573582 CIFC41 H40 Cl2 N2 O Ru S2P b c a8.31031; 20.0084; 44.3627
90; 90; 90
7376.45Matveeva, Maria; Trzaskowski, Bartosz; Kajetanowicz, Anna
Modifications of substituents on the chelating oxygen atom in stereoretentive Hoveyda–Grubbs-type complexes and their influence on catalytic properties
Catalysis Science & Technology, 2025, 15, 783-793

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