Crystallography Open Database

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7226622 CIFC41.5 H115.2 K1.3 N8.3 Na3.2 O111.6 P2 W22 YbP 112.8441; 13.2571; 19.6876
103.795; 93.0243; 97.5524
3215.05Iijima, Jun; Naruke, Haruo; Sanji, Takanobu
On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline
RSC Adv., 2016, 6, 91494
7226623 CIFC41.5 H105.2 K1.3 N8.3 Na3.2 O106 P2 W22 YP 112.8442; 13.2756; 19.7854
103.646; 93.522; 97.6179
3234.4Iijima, Jun; Naruke, Haruo; Sanji, Takanobu
On chirality induction in the crystalline solid-containing sandwich-type [Ln(α-PW11O39)2]11−polyoxotungstate and proline
RSC Adv., 2016, 6, 91494
7226624 CIFC6 H2 N10 O10P 1 21/n 17.3983; 7.6242; 11.7823
90; 94.006; 90
662.97Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic dinitromethyl group functionalized azofurazan and its azofurazanates
RSC Adv., 2016, 6, 91477
7226625 CIFC6 F2 N10 O10P 1 21/n 17.2868; 7.7602; 12.5498
90; 90.952; 90
709.56Tang, Yongxing; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic dinitromethyl group functionalized azofurazan and its azofurazanates
RSC Adv., 2016, 6, 91477
7226668 CIFC9 H16 N O2P c a 217.8102; 11.8025; 10.2102
90; 90; 90
941.18Nelyubina, Yu. V.; Ananyev, I. V.; Novikov, V. V.; Lyssenko, K. A.
Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical
RSC Adv., 2016, 6, 91694
7226755 CIFC39 H38 Cl2 N2 O RuP 1 21/n 110.7017; 23.314; 13.8832
90; 103.094; 90
3373.79Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
RSC Adv., 2016, 6, 95793
7226756 CIFC27 H32 Cl N2 RhP 1 21/n 110.2032; 19.764; 14.072
90; 97.576; 90
2812.93Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
RSC Adv., 2016, 6, 95793
7226757 CIFC37 H38 Cl N2 RhC 1 2/c 120.1677; 15.692; 21.7767
90; 100.467; 90
6777Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
RSC Adv., 2016, 6, 95793
7226758 CIFC37 H38 Cl N2 RhP 1 21 18.2473; 18.8543; 10.5818
90; 111.131; 90
1534.8Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
RSC Adv., 2016, 6, 95793
7226759 CIFC47.5 H43 Cl2 N2 RhP -111.6821; 16.0026; 22.6928
93.279; 103.21; 91.676
4119.4Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
RSC Adv., 2016, 6, 95793
7226786 CIFC53 H42 As2 Br Cl3 N2 O2 RuP 1 21/n 115.2764; 18.6423; 17.4632
90; 95.039; 90
4954.1Manikandan, Thimma Sambamoorthy; Ramesh, Rengan; Semeril, David
Synthesis and characterisation of cycloruthenated benzhydrazone complexes: catalytic application to selective oxidative cleavage of olefins to aldehydes
RSC Adv., 2016, 6, 97107
7226787 CIFC54 H45 As2 Cl3 N2 O3 RuP 1 21/n 115.5853; 18.629; 17.3913
90; 95.754; 90
5023.9Manikandan, Thimma Sambamoorthy; Ramesh, Rengan; Semeril, David
Synthesis and characterisation of cycloruthenated benzhydrazone complexes: catalytic application to selective oxidative cleavage of olefins to aldehydes
RSC Adv., 2016, 6, 97107
7226793 CIFC68 H57 B Fe N2 P2P -112.8422; 13.4375; 17.1011
84.713; 87.183; 64.505
2652.2Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús; Sibilla, Francesca
Preparation of diazoalkane complexes of iron(ii)
RSC Adv., 2016, 6, 97650
7226796 CIFC53 H57 N S8P -14.6484; 13.9788; 19.2908
105.132; 90.17; 98.42
1195.88Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn L.
Applying thieno[3,2-b]thiophene as a building block in the design of rigid extended thienoacenes
RSC Adv., 2016, 6, 97420
7226801 CIFC13 H22 N2 O2P 1 21/c 112.976; 9.0107; 12.2487
90; 102.498; 90
1398.22Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo
Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides
RSC Adv., 2016, 6, 97800
7226802 CIFC19 H34 N2 O4 TiP 1 21/n 110.1045; 14.8386; 14.7511
90; 103.949; 90
2146.51Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo
Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides
RSC Adv., 2016, 6, 97800
7226803 CIFC28 H42 Cl6 N4 O6 Ti2P 1 21/n 19.597; 19.6755; 9.9008
90; 105.588; 90
1800.76Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo
Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides
RSC Adv., 2016, 6, 97800
7226814 CIFC98 H132 Cd2 Fe2 N10 Na O38P 1 21/c 124.576; 12.416; 18.094
90; 102.534; 90
5389.5Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang
Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols
RSC Adv., 2016, 6, 98611
7226815 CIFC48 H58 Fe N4 Na O17 ZnP 1 21/c 124.05; 12.458; 18.14
90; 104.466; 90
5263Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang
Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols
RSC Adv., 2016, 6, 98611
7226951 CIFC14 H18 O4 PdP -17.2285; 7.6427; 7.6586
62.479; 67.121; 63.114
325.9Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
RSC Adv., 2016, 6, 102557
7226952 CIFC16 H22 O4 PdP b c a14.4316; 6.5451; 15.6537
90; 90; 90
1478.59Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
RSC Adv., 2016, 6, 102557
7226953 CIFC15 H25 O2.5 PdC 1 2/c 124.443; 5.4443; 23.838
90; 111.49; 90
2951.7Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
RSC Adv., 2016, 6, 102557
7226964 CIFC140 H228 Cl O144 S20 Yb7P -115.3316; 19.0247; 21.5272
78.723; 71.13; 73.949
5670.9Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes
RSC Adv., 2016, 6, 102695
7226965 CIFC179 H236 Cl2 O135 S20 Yb4.67P -117.214; 18.887; 20.574
77.93; 70.96; 75.49
6062Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes
RSC Adv., 2016, 6, 102695
7226966 CIFC290 H386 Gd4 N16 Na4 O159 S30P -111.1318; 17.7181; 52.0066
97.634; 95.167; 100.468
9928.5Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes
RSC Adv., 2016, 6, 102695
7227086 CIFC23 H21 N OP 1 21 111.9333; 6.7797; 12.1298
90; 116.667; 90
876.97Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
RSC Adv., 2016, 6, 107081
7227087 CIFC18 H18 Cl N OP -15.8282; 10.3586; 13.2061
77.465; 86.009; 76.595
756.91Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
RSC Adv., 2016, 6, 107081
7227088 CIFC23 H19 N3 O2P n a 2121.4737; 16.0302; 5.5546
90; 90; 90
1912.05Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
RSC Adv., 2016, 6, 107081
7227089 CIFC24 H24 N2 OP 1 21/c 112.2036; 10.1274; 15.5213
90; 93.535; 90
1914.64Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
RSC Adv., 2016, 6, 107081
7227090 CIFC25 H24 N2P 1 21/n 17.5902; 14.0682; 18.3473
90; 97.945; 90
1940.33Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
RSC Adv., 2016, 6, 107081
7227171 CIFC17.05 H16.14 I N O SP 1 21/c 17.4292; 10.7679; 20.5682
90; 90; 90
1645.39Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.
Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite
RSC Adv., 2016, 6, 111472
7227172 CIFC18 H18 I N O SP -17.7022; 10.3394; 11.3339
97.09; 99.284; 91.95
882.61Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.
Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite
RSC Adv., 2016, 6, 111472
7227256 CIFC13 H11 N3 SeR -3 :H31.935; 31.935; 6.3894
90; 90; 120
5643.2Sharma, Nidhi; Kumar, Sanjeev; Maurya, Indresh K.; Bhasin, K. K.; Verma, Ajay; Wangoo, Nishima; Bhasin, Aman K. K.; Mehta, S. K.; Kumar, Sangit; Sharma, Rohit K.
Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides
RSC Adv., 2016, 6, 114224
7236027 CIFC8 H28 Al12 Mg4 N4 O73 P16P 1 21/c 112.675; 14.423; 9.5745
90; 100.568; 90
1720.6Jiao, Xuejiao; Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang
A new magnesium-containing aluminophosphate with a zeolite-like structure
RSC Advances, 2016, 6, 1098
7236029 CIFC27 H34 Fe N3 O11P 1 21/n 115.92; 11.6967; 15.9254
90; 104.515; 90
2870.8Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
RSC Advances, 2016, 6, 40238
7236030 CIFC38 H52 Cl2 Fe2 N4 O20P 1 21/c 112.4686; 11.1309; 17.4694
90; 94.456; 90
2417.2Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
RSC Advances, 2016, 6, 40238
7236031 CIFC27 H30 Fe N3 O11P b c a11.1864; 21.2415; 25.3894
90; 90; 90
6032.9Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
RSC Advances, 2016, 6, 40238
7236032 CIFC25.5 H27 Fe N3 O10.5C 1 2/c 123.1974; 13.7678; 22.332
90; 109.575; 90
6720.1Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
RSC Advances, 2016, 6, 40238
7236033 CIFC28.8 H30.2 Fe N3 O7.3P 1 21/c 116.0853; 28.696; 7.0062
90; 96.758; 90
3211.5Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
RSC Advances, 2016, 6, 40238
7236034 CIFC30 H44 Fe N3 O19P -112.0485; 13.291; 13.4446
69.9928; 78.6474; 68.339
1874.03Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.
Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments
RSC Advances, 2016, 6, 40238
7236035 CIFC44 H53 Fe N4 O6P 1 21/c 117.1427; 14.5854; 17.4812
90; 100.604; 90
4296.2Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols
RSC Advances, 2016, 6, 8079
7236036 CIFC30 H27 Co N4 O9P n a 2118.5211; 11.1131; 12.9945
90; 90; 90
2674.6Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols
RSC Advances, 2016, 6, 8079
7236037 CIFC14 H12 N2 O4P 1 21/c 18.9865; 9.5514; 14.1428
90; 90.203; 90
1213.92Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols
RSC Advances, 2016, 6, 8079
7236038 CIFC30 H24 Co N6 O6I -4 2 d25.1433; 25.1433; 10.6879
90; 90; 90
6756.7Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment
RSC Advances, 2016, 6, 25149
7236039 CIFC24 H18 Co N3 O9P 1 21/c 114.5169; 9.0637; 18.5938
90; 90.689; 90
2446.3Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment
RSC Advances, 2016, 6, 25149
7236040 CIFC24 H22 Co N6 O7P 61 2 28.449; 8.449; 57.241
90; 90; 120
3538.7Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment
RSC Advances, 2016, 6, 25149
7236041 CIFC25 H14 Co F6 N3 O5C 1 2/c 126.393; 11.0092; 24.857
90; 118.483; 90
6348.4Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju
Design of chiral Co(ii)-MOFs and their application in environmental remediation and waste water treatment
RSC Advances, 2016, 6, 25149
7236042 CIFC21 H16 N2 O3P 1 21/c 116.7245; 11.3341; 9.6962
90; 105.028; 90
1775.12Pandey, Abha; Kumar, Ajit; Vishwakarma, Siddharth; Upadhyay, K. K.
A highly specific ‘turn-on’ fluorescent detection of Mg2+ through a xanthene based fluorescent molecular probe
RSC Advances, 2016, 6, 6724
7236043 CIFC17 H13 F3 N4 OP -114.1362; 14.3909; 18.0057
66.933; 67.968; 89.57
3081.9Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.
Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate
RSC Advances, 2016, 6, 30056
7236044 CIFC19 H17 F3 N5 OC 1 2/c 111.0546; 19.664; 17.9966
90; 105.746; 90
3765.3Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.
Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate
RSC Advances, 2016, 6, 30056

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