Crystallography Open Database

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7236755 CIFC31 H21 F10 Ir N2 O2P c c n21.2811; 7.9273; 17.6973
90; 90; 90
2985.6Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook
Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes
Journal of Materials Chemistry C, 2017, 5, 4480
7237827 CIFC37 H43 NP c c n12.9754; 36.63; 12.4364
90; 90; 90
5910.9Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong
Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism
Journal of Materials Chemistry C, 2019, 7, 6932
7238075 CIFC24 H14 O2 S4P c c n15.217; 33.919; 7.85
90; 90; 90
4052Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori
Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”
Journal of the Chemical Society, Perkin Transactions 2, 2000, 2492
7238972 CIFC24 H20 N4P c c n9.3776; 13.9561; 14.0544
90; 90; 90
1839.37Iwakura, Izumi; Kato, Saki; Hino, Ryotaro; Fukumoto, Ayumu; Komori-Orisaku, Keiko; Koide, Yoshihiro
Pulsed Nd:YAG laser induced high throughput stereospecific [2 + 2] cycloaddition of highly organized 1,2-bis(4-pyridyl)ethylene in a supramolecular scaffold
RSC Advances, 2013, 3, 5354
7239482 CIFC42 H53 N3 O2 S4P c c n15.4; 15.405; 17.403
90; 90; 90
4129Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro
Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures
RSC Advances, 2014, 4, 9608
7239772 CIFC51 H50 Cu2 N4 O15P c c n16.1109; 19.4781; 15.7553
90; 90; 90
4944.2Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui
Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages
CrystEngComm, 2020
7240800 CIFC16 H10 Cd N4 O4P c c n12.3609; 9.9856; 12.3887
90; 90; 90
1529.1García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio
2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties
CrystEngComm, 2020
7242084 CIFC82 H60 Co3 N14 O15P c c n24.357; 16.6019; 18.5781
90; 90; 90
7512.5Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming
Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand
CrystEngComm, 2021, 23, 1497-1506
7242410 CIFC60 H120 Cu2 N12 Nd2 O112 P2 W22P c c n36.912; 19.18; 22.158
90; 90; 90
15687Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian
Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction
CrystEngComm, 2021, 23, 2973-2981
7242669 CIFC30 H34 N6 O8 ZnP c c n11.626; 30.46; 8.952
90; 90; 90
3170Brahma, Rinki; Baruah, Jubaraj B.
Intrinsic structural features of coordination polymers make an impact on dye selectivity
CrystEngComm, 2021, 23, 3812-3827
7242671 CIFC30 H32 Co N6 O8P c c n30.4091; 11.6865; 8.9577
90; 90; 90
3183.4Brahma, Rinki; Baruah, Jubaraj B.
Intrinsic structural features of coordination polymers make an impact on dye selectivity
CrystEngComm, 2021, 23, 3812-3827
7242672 CIFC30 H32 N6 O8 ZnP c c n11.7; 30.466; 8.959
90; 90; 90
3193.5Brahma, Rinki; Baruah, Jubaraj B.
Intrinsic structural features of coordination polymers make an impact on dye selectivity
CrystEngComm, 2021, 23, 3812-3827
7242673 CIFC30 H34 Co N6 O8P c c n11.653; 30.448; 8.96
90; 90; 90
3179Brahma, Rinki; Baruah, Jubaraj B.
Intrinsic structural features of coordination polymers make an impact on dye selectivity
CrystEngComm, 2021, 23, 3812-3827
7243081 CIFC33 H50 Cl4 Fe2 N8 O3P c c n17.8183; 23.7713; 9.3271
90; 90; 90
3950.6Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan
μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation
RSC Advances, 2021, 11, 21514-21526
7244227 CIFC7.5 H9 Br3 Cl NP c c n23.301; 11.3788; 8.8743
90; 90; 90
2352.91Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244229 CIFC7.5 H9 Br3 Cl NP c c n23.3004; 11.3861; 8.8768
90; 90; 90
2355.02Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244230 CIFC7.5 H8 Br3 Cl NP c c n23.3149; 11.3966; 8.87109
90; 90; 90
2357.14Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244231 CIFC7.5 H9 Br3 Cl NP c c n23.3051; 11.4337; 8.8909
90; 90; 90
2369.1Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244233 CIFC7.5 H9 Br4 NP c c n23.6012; 11.3363; 8.94002
90; 90; 90
2391.9Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244234 CIFC7.5 H9 Br3 Cl NP c c n23.3; 11.4013; 8.881
90; 90; 90
2359.24Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244235 CIFC7.5 H9 Br4 NP c c n23.715; 11.4034; 8.9608
90; 90; 90
2423.28Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244236 CIFC7.5 H9 Br3 Cl NP c c n23.3143; 11.3889; 8.873
90; 90; 90
2356Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244237 CIFC7.5 H9 Br3 Cl NP c c n23.3143; 11.3349; 8.8651
90; 90; 90
2342.74Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244238 CIFC7.5 H9 Br3 Cl NP c c n23.3008; 11.372; 8.8724
90; 90; 90
2350.98Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244239 CIFC7.5 H9 Br3 Cl NP c c n23.2933; 11.4091; 8.8839
90; 90; 90
2360.95Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244240 CIFC7.5 H9 Br3 Cl NP c c n23.3005; 11.4213; 8.882
90; 90; 90
2363.7Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244241 CIFC7.5 H9 Br3 Cl NP c c n23.3401; 11.5126; 8.9207
90; 90; 90
2397.04Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244242 CIFC7.5 H9 Br3 Cl NP c c n23.3045; 11.3409; 8.8643
90; 90; 90
2342.78Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244243 CIFC7.5 H9 Br3 Cl NP c c n23.3229; 11.3803; 8.87309
90; 90; 90
2355.11Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244244 CIFC7.5 H9 Br3 Cl NP c c n23.3007; 11.4142; 8.8869
90; 90; 90
2363.55Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244245 CIFC7.5 H9 Br4 NP c c n23.5252; 11.2799; 8.9163
90; 90; 90
2366.05Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244246 CIFC7.5 H9 Br3 Cl NP c c n23.303; 11.3934; 8.8783
90; 90; 90
2357.19Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko
Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding
CrystEngComm, 2022
7244665 CIFC23 H20 O6P c c n12.0593; 16.1161; 20.7106
90; 90; 90
4025.1Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang
Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides
Green Chemistry, 2022, 24, 3623-3628
7245298 CIFC12 H23 K O8P c c n24.9888; 6.3547; 9.8148
90; 90; 90
1558.55Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.
Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts
CrystEngComm, 2022
7245432 CIFC12 H11 Cl Cu N4 O6P c c n7.0897; 12.7224; 17.114
90; 90; 90
1543.65Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.
Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers
CrystEngComm, 2022
7246416 CIFC22 H36 Cu N4 O5P c c n16.0184; 17.2661; 8.8793
90; 90; 90
2455.8Acharya, Prasun; Kuila, Arun; Pramanik, Ushasi; Hathwar, Venkatesha R.; Brandao, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Tithi; Maity, Ribhu; Chandra Samanta, Bidhan
Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies
RSC Advances, 2023, 13, 7632-7644
7246734 CIFC25 H27 N3 OP c c n15.3952; 31.5081; 9.8531
90; 90; 90
4779.5Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo
Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives
CrystEngComm, 2023, 25, 3264-3270
7247232 CIFC13 H9 Br2 N OP c c n56.5791; 6.894; 6.1018
90; 90; 90
2380.05Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko
Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions
CrystEngComm, 2023, 25, 5109-5117
7247233 CIFC13 H9 Br Cl N OP c c n55.8702; 6.9161; 6.1083
90; 90; 90
2360.27Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko
Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions
CrystEngComm, 2023, 25, 5109-5117
7247235 CIFC13 H9 Br2 N OP c c n56.4542; 6.902; 6.1053
90; 90; 90
2378.91Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko
Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions
CrystEngComm, 2023, 25, 5109-5117
7247731 CIFC34 H26 Co N4 O6P c c n10.3085; 16.7006; 18.9218
90; 90; 90
3257.5Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
CrystEngComm, 2023, 25, 6786-6795
7247733 CIFC70 H55 N9 Ni2 O12P c c n10.4988; 16.7826; 18.4931
90; 90; 90
3258.43Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.
Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions
CrystEngComm, 2023, 25, 6786-6795
7248219 CIFC34 H43 N8 O15.5P c c n13.9706; 26.3924; 19.9773
90; 90; 90
7365.98Molajafari, Fateme; Li, Tianrui; Abbasichaleshtori, Mehrnaz; Hajian Z. D., Moein; Cozzolino, Anthony F.; Fandrick, Daniel R.; Howe, Joshua D.
Computational screening for prediction of co-crystals: method comparison and experimental validation
CrystEngComm, 2024, 26, 1620-1636
7248320 CIFC13 H6 Br2 F4 S2P c c n14.4495; 7.5081; 13.634
90; 90; 90
1479.13Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz
Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents
RSC Medicinal Chemistry, 2024
7248334 CIFC86 H72 N12 Zn2P c c n12.3533; 27.6883; 21.444
90; 90; 90
7334.7Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli
Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands
CrystEngComm, 2024, 26, 2259-2268
7248678 CIFC35 H44 Cl4 N4 O6 S2P c c n9.6066; 43.035; 9.7812
90; 90; 90
4043.7Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher
New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium
CrystEngComm, 2024, 26, 3206-3216
7249230 CIFC19 H21 Br N4 O5 ZnP c c n32.038; 15.774; 17.871
90; 90; 90
9031Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.
Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands
CrystEngComm, 2024, 26, 5039-5045
7249401 CIFC62 H36 Cl4 Dy2 F18 N6 O12 S6P c c n24.4222; 22.5632; 13.7569
90; 90; 90
7580.6Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin
Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior
CrystEngComm, 2024, 26, 6184-6193
7249634 CIFC46 H30 Cl10 N6 S2 ZnP c c n25.202; 9.4183; 20.248
90; 90; 90
4806.1Nath, Jitendra; Baruah, Jubaraj B.
Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates
CrystEngComm, 2025, 27, 46-54
7249714 CIFC22 H20 Cl4 N2 O6 ReP c c n16.202; 16.335; 18.805
90; 90; 90
4976.9Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.
An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst
RSC Advances, 2024, 14, 40058-40068

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