Crystallography Open Database

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7223471 CIFC12 H6 O6 ScF d d d :28.798; 20.865; 34.551
90; 90; 90
6343McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.
Perfluorocarbon liquid under pressure: a medium for gas delivery
CrystEngComm, 2016, 18, 1273
7230731 CIFC24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2F d d d :217.338; 42.746; 43.404
90; 90; 90
32168Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo
Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system
CrystEngComm, 2018, 20, 3784
7230732 CIFC22 H16.75 F6 Fe N4 O6.375 S2F d d d :216.993; 42.006; 42.426
90; 90; 90
30284Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo
Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system
CrystEngComm, 2018, 20, 3784
7231931 CIFC44 H52 O11F d d d :222.73; 26.88; 28.36
90; 90; 90
17327Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
CrystEngComm, 2019, 21, 439
7235764 CIFC48 H24 Fe2 N12F d d d :27.3968; 36.3567; 63.4375
90; 90; 90
17060Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.
When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels
Journal of Materials Chemistry A, 2014, 2, 12208
7236139 CIFC18 H21 Fe2 N2 O14 S2F d d d :216.7581; 18.8268; 38.9998
90; 90; 90
12304.5Tu, Thach N.; Phan, Nghi Q.; Vu, Thanh T.; Nguyen, Ha L.; Cordova, Kyle E.; Furukawa, Hiroyasu
High proton conductivity at low relative humidity in an anionic Fe-based metal‒organic framework
Journal of Materials Chemistry A, 2016, 4, 3638
7236586 CIFC15 H12 Co N5 O6F d d d :211.3815; 20.5728; 34.5573
90; 90; 90
8091.6Rajak, Richa; Saraf, Mohit; Mohammad, Akbar; Mobin, Shaikh M.
Design and construction of a ferrocene based inclined polycatenated Co-MOF for supercapacitor and dye adsorption applications
Journal of Materials Chemistry A, 2017, 5, 17998
7237770 CIFC34 H36 N5 O13 P3 Zn3F d d d :220.752; 24.4248; 29.3054
90; 90; 90
14853.8Ge, Bang-Di; Han, Song-De; Wei, Qi; Li, Jin-Hua; Wang, Guo-Ming
Coordination-driven strategy towards crystalline hybrid photochromic materials via the marriage of a non-photochromic extended dipyridine unit and zincophosphate
Journal of Materials Chemistry C, 2019, 7, 3920
7239067 CIFC24 H16 Ag In N4 O8F d d d :212.0412; 23.6221; 25.381
90; 90; 90
7219.3Tan, Yan-Xi; He, Yan-Ping; Wang, Min; Zhang, Jian
A water-stable zeolite-like metal‒organic framework for selective separation of organic dyes
RSC Adv., 2014, 4, 1480
7239068 CIFC24 H16 Cu In N4 O8F d d d :212.4623; 22.5494; 24.692
90; 90; 90
6938.9Tan, Yan-Xi; He, Yan-Ping; Wang, Min; Zhang, Jian
A water-stable zeolite-like metal‒organic framework for selective separation of organic dyes
RSC Adv., 2014, 4, 1480
7244268 CIFC46 H50 Cl2 Cu N10 O12F d d d :213.6541; 20.9932; 33.7804
90; 90; 90
9682.9Bao, 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
7244279 CIFC408 H248 Eu16 N52 O112F d d d :222.3041; 28.6028; 29.0127
90; 90; 90
18508.9Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng
A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems
CrystEngComm, 2022, 24, 1358-1367
7244304 CIFC16 H18 F8 K O17 ScF d d d :28.9823; 11.4355; 48.3424
90; 90; 90
4965.6Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.
Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand
CrystEngComm, 2022
7244902 CIFC56 H60 I4 N4 O5F d d d :212.9348; 22.8426; 39.6053
90; 90; 90
11702Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura
Halogen-bonded architectures of multivalent calix[4]arenes
CrystEngComm, 2022
7245425 CIFC31 H23 Cl2 N5 O7 Zn2F d d d :218.8851; 20.5134; 31.983
90; 90; 90
12390Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio
On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
CrystEngComm, 2022
7246368 CIFC48 H37 Cl4 N O2F d d d :215.7544; 25.0313; 40.1189
90; 90; 90
15821Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.
Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines
CrystEngComm, 2023, 25, 1740-1754
7246371 CIFC48 H37 Cl4 N O2F d d d :215.5845; 24.9973; 40.03
90; 90; 90
15595Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.
Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines
CrystEngComm, 2023, 25, 1740-1754
7246469 CIFC10 H11 I N2F d d d :26.721; 19.9988; 32.6212
90; 90; 90
4384.7Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang
Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.
Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603
7247407 CIFC16 H88 Mo16 N32 Na8 O77F d d d :214.99; 31.7213; 46.9852
90; 90; 90
22341.6Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui
Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases
CrystEngComm, 2023, 25, 5942-5950
7247799 CIFC52 H59 N7 Ni2 O23F d d d :219.5933; 22.7256; 52.888
90; 90; 90
23549Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan
Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+
CrystEngComm, 2024, 26, 170-179
7248067 CIFC12 H12 Cl6 Cu N8 O8F d d d :236.169; 9.9451; 13.4069
90; 90; 90
4822.5Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo
Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method
CrystEngComm, 2024, 26, 1178-1188
7701707 CIFC64 H84.4 N48 Ni8 O10.2F d d d :218.5858; 24.9993; 40.622
90; 90; 90
18874.3Abbasi, Parisa; Athanasopoulou, Angeliki A.; Mazarakioti, Eleni C.; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Pilkington, Melanie; Stamatatos, Theocharis C.
Click chemistry as a route to the synthesis of structurally new and magnetically interesting coordination clusters: a {Ni} complex with a trapezoidal prismatic topology.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 11632-11636
7705073 CIFC32 H28 Cl8 N6 O4 ZnF d d d :212.8301; 16.4771; 37.538
90; 90; 90
7935.6Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi
Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 12365-12371
7705614 CIFC128 H192 B8 F32 N16 Pd4 Si16F d d d :216.927; 20.121; 55.331
90; 90; 90
18845Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A
Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 15002-15008
7705616 CIFC64 H96 F24 N8 P4 Pd2 Si8F d d d :216.586; 19.95; 57.908
90; 90; 90
19161Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A
Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 15002-15008
7707727 CIFC35 H40 Co3 N7 O27 SF d d d :218.683; 31.423; 36.377
90; 90; 90
21356de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda
Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 10707-10728
7709771 CIFC144 H134 F18 N4 O22 P8 Pd4 S6F d d d :234.0893; 39.0572; 53.629
90; 90; 90
71403Ferrer, Montserrat; Gallen, Albert; Martínez, Manuel; Rocamora, Mercè; Puttreddy, Rakesh; Rissanen, Kari
Homo- and and heterometallic chiral dynamic architectures from allyl-palladium(II) building blocks
Dalton Transactions, 2022
7709772 CIFC144 H134 F18 N4 O22 P8 Pd2 Pt2 S6F d d d :234.1344; 39.0265; 54.2199
90; 90; 90
72229Ferrer, Montserrat; Gallen, Albert; Martínez, Manuel; Rocamora, Mercè; Puttreddy, Rakesh; Rissanen, Kari
Homo- and and heterometallic chiral dynamic architectures from allyl-palladium(II) building blocks
Dalton Transactions, 2022
7710691 CIFC13 H28 Cl2 N2 O2F d d d :213.9584; 20.1197; 23.6121
90; 90; 90
6631.2Kelderman, Cormac; Davey, Patrick; Ma, Michelle; de Veer, Michael; Salimova, Ekaterina; Donnelly, Paul Stephen; Paterson, Brett Michael
Hexadentate Technetium-99m Bis(thiosemicarbazonato) Complexes: Synthesis, Characterisation and Biodistribution
Dalton Transactions, 2022
7710949 CIFC25 H22 N4 O7 S ZnF d d d :211.4312; 31.433; 57.919
90; 90; 90
20811Sinha, Chittaranjan; Bairy, Gurupada; Dey, Arka; Dutta, Basudeb; Maity, Suvendu
Rational synthesis of a pyridyl-imidazoquinazoline based multifunctional 3D Zn(II)-MOF: structure, luminescence, selective and sensitive detection of Al3+ and TNP, and its semiconducting device application
Dalton Transactions, 2022
7712816 CIFC73 H111 Mn14 N9 O51F d d d :215.108; 20.4454; 76.1586
90; 90; 90
23524.6Brechin, Euan K.; Agapaki, Eleftheria; Canaj, Angelos; Nichol, Gary Stephen
Tetra-, tetradeca- and octadecametallic clusters of Mn
Dalton Transactions, 2023
7712824 CIFC109.42 H70.84 Cl4.84 Ir2 N8F d d d :216.251; 35.942; 37.688
90; 90; 90
22013Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav
Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes
Dalton Transactions, 2023
7713198 CIFAl F6 Rb3F d d d :212.4412; 17.6466; 37.201
90; 90; 90
8167.3Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad
Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes
Dalton Transactions, 2023
7713200 CIFAl Cs3 F6F d d d :213.0311; 18.4837; 39.024
90; 90; 90
9399.4Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad
Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes
Dalton Transactions, 2023
7713201 CIFCs3 F6 GaF d d d :213.1762; 18.7515; 39.488
90; 90; 90
9756.4Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad
Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes
Dalton Transactions, 2023
7713985 CIFC15 H20 Br0.5 Co0.5 N PF d d d :221.7708; 22.4926; 24.322
90; 90; 90
11910SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey
Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction
Dalton Transactions, 2023
7714844 CIFC64 H104 N6 P4 Ru2F d d d :216.7299; 38.8794; 49.0089
90; 90; 90
31877.8Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.
Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1862-1869
7715458 CIFC16 H13 N3 O8 PrF d d d :217.865; 18.094; 27.261
90; 90; 90
8812Khan, Mohammad Yasir; Husain, Ahmad; Mahajan, Dhiraj K.; Muaz, Mohammad; Shahid, M.; Zeeshan, Mohd; Sama, Farasha; Ahmad, Sharique
Facile synthesis of a three-dimensional Ln-MOF@FCNT composite for the fabrication of a symmetric supercapacitor device with ultra-high energy density: overcoming the energy storage barrier.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7477-7497
7715613 CIFC30 H30 B2 Co F8 N12 O2F d d d :213.0663; 17.1914; 29.81
90; 90; 90
6696.2Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric
Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7536-7545
7715614 CIFC30 H30 B2 Co F8 N12 O2F d d d :213.1032; 17.2017; 30.254
90; 90; 90
6819.2Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric
Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7536-7545
8000554 CIFC46 H44 Co N14 O14 YbF d d d :213.8229; 25.6413; 28.239
90; 90; 90
10008.9Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon
Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.
The journal of physical chemistry letters, 2021, 10558-10566
8000555 CIFC46 H44 Ir N14 O14 YbF d d d :213.8789; 25.716; 28.221
90; 90; 90
10072.4Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon
Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.
The journal of physical chemistry letters, 2021, 10558-10566
8000556 CIFC46 H44 Fe N14 O14 YbF d d d :213.826; 25.726; 28.263
90; 90; 90
10052.8Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon
Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.
The journal of physical chemistry letters, 2021, 10558-10566
8000557 CIFC46 H32 Cr N14 O14 YbF d d d :213.9366; 25.744; 28.199
90; 90; 90
10117.3Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon
Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.
The journal of physical chemistry letters, 2021, 10558-10566
8101199 CIFC12 H18 Cl6 N6 Na TaF d d d :215.602; 21.668; 45.865
90; 90; 90
15505Müller, Ulrich; Noll, Andrea
Crystal structure of hexakis(acetonitrile)sodium hexachlorotantalate(V), [Na(NCCH~3~)~6~][TaCl~6~]
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 191-192
8101305 CIFBa2 Ca N4 WF d d d :210.873; 11.993; 17.937
90; 90; 90
2339Höhn, Peter; Kniep, Rüdiger
Crystal structure of dibarium calcium [tetranitridotungstate(VI)], Ba~2~Ca[WN~4~]
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 331-332
8101844 CIFC14 H32 Cd2 Fe N14F d d d :28.686; 15.568; 36.521
90; 90; 90
4939A.-Y. Fu; D.-Q. Wang
Crystal structure of poly[{bis(cyanide-C)iron(II)}tetra(μ^2 ^-cyanide-C:N)bis{bis(ethylenediamine-N,N')cadmium(II)}], Cd~2~Fe (CN)~6~(C~2~H~8~N~2~)~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 501-502
8102028 CIFC24 H16 Ag N5 O3F d d d :23.6677; 30.046; 38.877
90; 90; 90
4284Li, P.-G.; Wang, Q.-L.; Li, D.-S.; Fu, F.; Qi, G.-C.
Crystal structure of bis(1,10-phenanthroline-N,N')silver(I) mononitrate, [Ag(C~12~H~8~N~2~)~2~][NO~3~]
Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 391-392
8103036 CIFMn11 O22 Rb15F d d d :212.1639; 20.1013; 59.798
90; 90; 90
14621.2Steffen Pfeiffer; Jürgen Nuss; Martin Jansen
Crystal structure of rubidium oxomanganate, Rb15Mn11O22
Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 377
8103395 CIFAg I TeF d d d :24.868; 24.999; 25.727
90; 90; 90
3130.85Boettcher, P.; Schnieders, F.
Darstellung und Kristallstruktur von Ag Te I
Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 323-327

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