Crystallography Open Database

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7237819 CIFC107 H89 Cl3 O4F d d 217.9559; 69.78; 13.5926
90; 90; 90
17031Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong
The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes
Journal of Materials Chemistry C, 2019, 7, 6344
7238342 CIFC10 H10 N2F d d 213.4667; 19.3913; 6.3165
90; 90; 90
1649.47Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher
Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state
CrystEngComm, 2010, 12, 4074
7238437 CIFC12 H15 N3F d d 217.241; 34.415; 8.1449
90; 90; 90
4832.8Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik
Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores
RSC Advances, 2011, 1, 1457
7238504 CIFC50 H103 Cl2 La N21 O34.5F d d 236.256; 54.989; 16.0501
90; 90; 90
31999Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation
CrystEngComm, 2012, 14, 6983
7238509 CIFC50 H103 Cl2 N21 O34.5 PrF d d 235.89; 55.191; 16.106
90; 90; 90
31903Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation
CrystEngComm, 2012, 14, 6983
7238511 CIFC50 H103 Ce Cl2 N21 O34.5F d d 235.869; 55.15; 16.021
90; 90; 90
31692Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu
Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation
CrystEngComm, 2012, 14, 6983
7238693 CIFC18 H19 N4 O Pd SF d d 227.9696; 35.857; 7.033
90; 90; 90
7053.4Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh
Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions
RSC Advances, 2012, 2, 11751
7238717 CIFC32 H26 Cd2 N8 O12 S2F d d 235.5141; 37.5405; 10.7672
90; 90; 90
14355Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di
Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands
RSC Advances, 2012, 2, 10189
7239602 CIFC48 H28 Co N6 O4F d d 251.7838; 28.8494; 6.281
90; 90; 90
9383.4Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping
Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties
CrystEngComm, 2020, 22, 506-514
7239603 CIFC48 H28 N6 O4 ZnF d d 251.726; 29.1071; 6.2678
90; 90; 90
9436.8Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping
Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties
CrystEngComm, 2020, 22, 506-514
7239708 CIFC14 H15 Cl N4 O4F d d 225.482; 10.5445; 11.8015
90; 90; 90
3171Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree
Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies
CrystEngComm, 2020, 22, 751-766
7240359 CIFC14 H12 N2 O2F d d 229.004; 37.698; 4.4554
90; 90; 90
4871.5Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha
4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells
RSC Advances, 2020, 10, 15501-15513
7240866 CIFC6 H6 Cu I N2 SF d d 212.4001; 32.1958; 9.1787
90; 90; 90
3664.42Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome
Cu(I)-iodide coordination polymers with aromatic thioamides
CrystEngComm, 2020
7240910 CIFC8 H9 Cl3 N2 PbF d d 243.5467; 24.859; 4.3222
90; 90; 90
4678.9Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.
Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions
CrystEngComm, 2020
7241263 CIFC18 H20 Cl N4 O0.5F d d 244.3599; 22.7723; 7.0406
90; 90; 90
7112.3Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo
Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?
CrystEngComm, 2020
7241264 CIFC18 H20 Cl N4 O0.5F d d 244.405; 22.8205; 7.0822
90; 90; 90
7176.7Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo
Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?
CrystEngComm, 2020
7241266 CIFC18 H20 Cl N4 O0.5F d d 244.6586; 22.6565; 6.8837
90; 90; 90
6965Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo
Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?
CrystEngComm, 2020
7241267 CIFC19 H23 Cl N3 O2.5F d d 248.482; 22.8029; 6.746
90; 90; 90
7457.9Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo
Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?
CrystEngComm, 2020
7241268 CIFC19 H23 Cl N3 O2.5F d d 248.2476; 22.8006; 6.6691
90; 90; 90
7336.5Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo
Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?
CrystEngComm, 2020
7242168 CIFC30 H44 Co N6 O4 P2 S4F d d 224.5759; 39.5254; 7.5072
90; 90; 90
7292.3Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin
Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas
CrystEngComm, 2021, 23, 2081-2090
7242366 CIFC36 H32 O6 P2 SF d d 220.3657; 33.018; 10.0713
90; 90; 90
6772.3Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia
Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response
CrystEngComm, 2021, 23, 2509-2512
7242367 CIFC36 H32 O6 P2 SF d d 220.1201; 32.676; 10.0411
90; 90; 90
6601.5Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia
Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response
CrystEngComm, 2021, 23, 2509-2512
7242368 CIFC36 H30 D2 O6 P2 SF d d 220.087; 32.633; 10.0097
90; 90; 90
6561.3Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia
Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response
CrystEngComm, 2021, 23, 2509-2512
7242560 CIFC30 H52 Cl2 N14 Ni2 O8F d d 226.3729; 43.882; 20.6839
90; 90; 90
23937Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan
Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands
CrystEngComm, 2021, 23, 3371-3382
7242587 CIFC16 H14 Cl N O3F d d 262.21; 17.713; 5.2259
90; 90; 90
5758.6Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan
Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst
RSC Advances, 2021, 11, 12808-12814
7243274 CIFC20 H16 Cd I2 N8 O2F d d 219.052; 59.023; 4.0392
90; 90; 90
4542.1Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.
Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures
CrystEngComm, 2021, 23, 6276-6290
7244267 CIFC23 H26 Cl N5 O6F d d 213.6704; 17.4161; 19.5839
90; 90; 90
4662.6Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.
Multipurpose made colorimetric materials for amines, pH change and metal ion detection
RSC Advances, 2022, 12, 2684-2692
7244298 CIFC20 H26 O6 P2F d d 221.1103; 21.6232; 8.7121
90; 90; 90
3976.8Oßwald, Simon; Zippel, Christoph; Hassan, Zahid; Nieger, Martin; Bräse, Stefan
C–P bond formation of cyclophanyl-, and aryl halides via a UV-induced photo Arbuzov reaction: a versatile portal to phosphonate-grafted scaffolds
RSC Advances, 2022, 12, 3309-3312
7245138 CIFC59 H36 Ag F3 N4 O7 SF d d 250.83; 5.9067; 32.66
90; 90; 90
9805.8Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia
Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration
CrystEngComm, 2022
7245353 CIFC18 H14 Cu F3 N3 O6 SF d d 227.42; 27.513; 10.435
90; 90; 90
7872Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.
Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies
RSC Advances, 2022, 12, 23513-23526
7247660 CIFC12 H26 Mo2 O11F d d 216.7363; 24.621; 8.8062
90; 90; 90
3628.72George, Tanner; Brosseau, Christa L.; Masuda, Jason D.
Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide
RSC Advances, 2023, 13, 32199-32216
7247727 CIFC17 H16 F2 N2 OF d d 237.7194; 16.9142; 9.49011
90; 90; 90
6054.63Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei
Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks
Green Chemistry, 2023, 25, 10630-10637
7247904 CIFC22 H24 Br F N4 O2F d d 224.217; 42.642; 8.474
90; 90; 90
8750.8Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu
Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility
CrystEngComm, 2024, 26, 248-260
7248288 CIFC288 H248 Dy16 O160F d d 228.3208; 39.2416; 16.2646
90; 90; 90
18075.7Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui
Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation
CrystEngComm, 2024, 26, 2033-2042
7248547 CIFC16 H23 Cl N2 O8 Zn2F d d 225.653; 38.97; 8.972
90; 90; 90
8969Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik
The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates
RSC Advances, 2024, 14, 13905-13914
7248586 CIFC8 H8 N2 O2 SF d d 222.635; 18.2458; 8.4549
90; 90; 90
3491.8Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar
A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties
CrystEngComm, 2024, 26, 3069-3076
7249391 CIFC22 H15 N O2F d d 235.2203; 20.9152; 9.2515
90; 90; 90
6815Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N.
Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry
RSC Medicinal Chemistry, 2024
7700414 CIFC27 H23 B Br2 F2 N2F d d 236.157; 39.5961; 6.7201
90; 90; 90
9621Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.
gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 11492-11507
7701368 CIFC39 H50 Ag7 F3 N2 O8 SF d d 238.814; 53.264; 9.9806
90; 90; 90
20634Gupta, Arvind Kumar Kumar; Orthaber, Andreas
Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand
Dalton Transactions, 2019
7701640 CIFC30 H34 Cl2 Co N3F d d 213.273; 46.113; 9.1517
90; 90; 90
5601Wang, Zheng; Ma, Yanping; Guo, Jingjing; Liu, Qingbin; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Bis(imino)pyridines fused with 6- and 7-membered carbocylic rings as N,N,N-scaffolds for cobalt ethylene polymerization catalysts.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 2582-2591
7702332 CIFC17 H15 Ag Cu N5 S2F d d 252.305; 12.088; 12.785
90; 90; 90
8083.5Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra
Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]
Journal of the Chemical Society, Dalton Transactions, 1998, 3071
7702405 CIFC10 H10 Cu I N4F d d 233.463; 35.0765; 4.0449
90; 90; 90
4747.8Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.
Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †
Journal of the Chemical Society, Dalton Transactions, 1999, 3121
7702834 CIFC35 H45 Cr N4F d d 220.28; 34.103; 9.42
90; 90; 90
6515Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
Chromium complexes bearing pyrrolide-imine N,N-chelate ligands: synthesis, structures and ethylene polymerisation behaviourElectronic supplementary information (ESI) available: a plot of the molecular structure of 3a. See http://www.rsc.org/suppdata/dt/b2/b204568k/
Journal of the Chemical Society, Dalton Transactions, 2002, 4017
7702835 CIFC36 H47 Cr N4F d d 219.82; 34.304; 9.969
90; 90; 90
6778Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
Chromium complexes bearing pyrrolide-imine N,N-chelate ligands: synthesis, structures and ethylene polymerisation behaviourElectronic supplementary information (ESI) available: a plot of the molecular structure of 3a. See http://www.rsc.org/suppdata/dt/b2/b204568k/
Journal of the Chemical Society, Dalton Transactions, 2002, 4017
7703425 CIFC19 H31 Mg0.5 O2F d d 221.017; 36.775; 9.2521
90; 90; 90
7150.9Wannipurage, Duleeka; Hollingsworth, Thilini S.; Santulli, Federica; Cozzolino, Mariachiara; Lamberti, Marina; Groysman, Stanislav; Mazzeo, Mina
Synthesis of a mononuclear magnesium bis(alkoxide) complex and its reactivity in the ring-opening copolymerization of cyclic anhydrides with epoxides.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 2715-2723
7703650 CIFC44 H36 Fe N10 O6F d d 217.374; 28.891; 16.217
90; 90; 90
8140Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki
Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 1485-1491
7704080 CIFC61.25 H55.75 Cl1.5 F6 Ir N5 O2.12 P S2F d d 235.673; 33.4826; 19.7402
90; 90; 90
23578.2Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.
Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 6751-6763
7704094 CIFC49 H56 B Cl N4 Ni O6F d d 263.3792; 58.8576; 9.7929
90; 90; 90
36530.9Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro
Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 6108-6118
7704334 CIFC40.5 H81 Au8 Cl N8 S16F d d 226.0916; 44.773; 24.543
90; 90; 90
28671Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.
Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 7355-7363
7704508 CIFC22.36 H35.49 Cl2.75 Mo N3 O4 P3F d d 259.1004; 34.6994; 12.38327
90; 90; 90
25395Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg
1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 8201-8208

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