Crystallography Open Database

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7125314 CIFC54 H66 B2 N4 O4C m c e10.924; 15.753; 27.04
90; 90; 90
4653Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dellermann, Theresa; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Kelch, Hauke; Prieschl, Dominic
Alkylideneborate zwitterions and C-C coupling by atypical diboration of electron-rich alkynes.
Chemical communications (Cambridge, England), 2017, 53, 12132-12135
7125327 CIFC70 H93 B2 Br Co N8 P2C m c e25.9634; 17.706; 29.773
90; 90; 90
13686.9Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.
Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.
Chemical communications (Cambridge, England), 2018, 54, 7916-7919
7125351 CIFC14 H18 Cd F N9 PC m c e16.172; 15.6943; 16.8867
90; 90; 90
4286Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei
Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.
Chemical communications (Cambridge, England), 2018, 54, 13275-13278
7125365 CIFC108 H140 F24 N4 O8 P4C m c e39.9; 9.539; 26.857
90; 90; 90
10222Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping
Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.
Chemical communications (Cambridge, England), 2019, 55, 2372-2375
7125528 CIFC8 H12 Ag F3 N2 O2C m c e12.5745; 12.3972; 14.2861
90; 90; 90
2227.04Brammer, L.; Burgard, M. D.; Rodger, C. S.; Swearingen, J. K.; Rath, N. P.
Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation.
Chemical communications (Cambridge, England), 2001, 2468-2469
7125750 CIFC14 H17 Cl N4C m c e6.4586; 24.9625; 17.2461
90; 90; 90
2780.5Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich
Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.
Chemical communications (Cambridge, England), 2019, 55, 9705-9708
7127275 CIFC9.75 H7.75C m c e20.155; 4.7512; 26.999
90; 90; 90
2585.4Jiménez, Vicente G; Mayorga-Burrezo, Paula; Blanco, Victor; Lloveras, Vega; Gómez-García, Carlos J; Šolomek, Tomáš; Cuerva, Juan M.; Veciana, Jaume; Campaña, Araceli G
Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.
Chemical communications (Cambridge, England), 2020, 56, 12813-12816
7127480 CIFC112 H72.53 Cd3 Cl1.47 N24 O0.53C m c e47.491; 18.5114; 27.2738
90; 90; 90
23977Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian
Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.
Chemical communications (Cambridge, England), 2020, 56, 14817-14820
7127481 CIFC112 H74.8 Br1.2 Cd3 N24 O0.8C m c e47.7736; 18.5513; 27.2877
90; 90; 90
24184.1Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian
Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.
Chemical communications (Cambridge, England), 2020, 56, 14817-14820
7127696 CIFC67 H56 F18 Hf7 O24 P8C m c e17.594; 28.869; 26.289
90; 90; 90
13353Huang, Yan; Zhou, Fan; Feng, Jianshen; Zhao, Hongxia; Qi, Chao; Ji, Jinyan; Bao, Songsong; Zheng, Tao
An ultra-stable hafnium phosphonate MOF platform for comparing the proton conductivity of various guest molecules/ions.
Chemical communications (Cambridge, England), 2021, 57, 1238-1241
7128451 CIFC14 H16 O4C m c e12.4105; 7.2547; 13.7901
90; 90; 90
1241.6Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.
Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.
Chemical communications (Cambridge, England), 2021, 57, 6725-6727
7129690 CIFC28 H183 Cu8 K4 N28 Na7 Nb54 O184C m c e56.364; 20.1214; 51.165
90; 90; 90
58027Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants
Chemical Communications, 2022
7129691 CIFC32 H197 Cu11 K3 N32 Na4 Nb54 O184C m c e56.743; 19.9065; 55.091
90; 90; 90
62228Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants
Chemical Communications, 2022
7130103 CIFC18 H16 SeC m c e5.8303; 33.0703; 14.6045
90; 90; 90
2815.89Zhong, Wentao; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing
Synthesis of 2,5-disubstituted selenophenes via a copper-catalyzed regioselective [2+2+1] cyclization of terminal alkynes and selenium
Chemical Communications, 2022
7130261 CIFC10 H5 In N O5C m c e21.661; 23.081; 13.499
90; 90; 90
6749Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu
Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material
Chemical Communications, 2022
7130262 CIFC8 H4 In O5C m c e21.8718; 23.1289; 13.5024
90; 90; 90
6830.5Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu
Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material
Chemical Communications, 2022
7130871 CIFAl28.75 O174 P2 V9.11 W18.14C m c e29.9847; 27.7701; 23.4604
90; 90; 90
19535Zhou, Wei; Ogiwara, Naoki; Weng, Zhewei; Zhao, Congcong; Yan, Likai; Kikukawa, Yuji; Uchida, Sayaka
Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity
Chemical Communications, 2022
7132275 CIFC106 H146 N16 Tb4C m c e24.3756; 20.6384; 20.7047
90; 90; 90
10416Mavragani, Niki; Kitos, Alexandros; Galico, Diogo A.; Mansikkamäki, Akseli; Murugesu, Muralee
Probing the magnetic and magneto-optical properties of a radical-bridged Tb4 single-molecule magnet
Chemical Communications, 2023
7132507 CIFC26 H46 N2 S2C m c e12.2275; 7.8196; 27.4908
90; 90; 90
2628.5Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.
Chemical communications (Cambridge, England), 2024, 60, 1739-1742
7133476 CIFC8 H24 Cl6 N2 O2 SnC m c e14.3092; 10.9809; 13.651
90; 90; 90
2145Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang
Symmetry breaking through molecular engineering to achieve "on-off-on" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.
Chemical communications (Cambridge, England), 2024, 60, 9412-9415
7157219 CIFC23 H23 B N2 O2C m c e7.2732; 18.924; 31.436
90; 90; 90
4326.8Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.
A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.
Organic & biomolecular chemistry, 2016, 14, 10031-10036
7221895 CIFC18 H19 Cd N3 O6C m c e30.09; 17.23; 8.658
90; 90; 90
4489Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio
Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks
CrystEngComm, 2015, 17, 7636
7222297 CIFC250.33 H239.03 Co24 N125.16 O93.65C m c e24.11298; 16.94684; 19.73992
90; 90; 90
8066.5Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu
Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems
CrystEngComm, 2015, 17, 8212
7224086 CIFC54 H42 Co7 N6 O35C m c e24.6165; 35.8569; 30.2783
90; 90; 90
26725.8Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li
A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake
CrystEngComm, 2016, 18, 1768
7225203 CIFC32 H38 Cu2 Mo16 N24 O57C m c e26.9829; 37.6059; 19.3314
90; 90; 90
19615.9Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge
Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand
CrystEngComm, 2016, 18, 5101
7225204 CIFC16 H22 Co Mo8 N12 O30C m c e27.09; 38.276; 19.107
90; 90; 90
19812Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge
Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand
CrystEngComm, 2016, 18, 5101
7226303 CIFAg2 F2 O6 Se2 ZrC m c e7.364; 31.451; 6.2719
90; 90; 90
1452.6Qian, Cheng; Kong, Fang; Mao, Jianggao
A Series of New Silver Selenites with d0-TM Cations
RSC Adv., 2016
7226904 CIFC6 H4 I N3C m c e7.6148; 7.8988; 24.473
90; 90; 90
1472Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John
Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry
CrystEngComm, 2017, 19, 11
7227004 CIFC56 H36 Mg8 N4 Ni12 O89 P4C m c e28.0134; 17.8914; 12.7629
90; 90; 90
6396.8Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong
A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach
CrystEngComm, 2016, 18, 8358
7227503 CIFC11 H4 Ag Br4 F3 N2 O3 SC m c e15.1879; 22.0564; 11.4445
90; 90; 90
3833.8Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.
Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials
RSC Adv., 2017, 7, 7358
7227921 CIFC50 H28 Co3 N2 O16C m c e33.6004; 26.9604; 23.2138
90; 90; 90
21028.9Akintola, Oluseun; Ziegenbalg, Sven; Buchholz, Axel; Görls, Helmar; Plass, Winfried
Robust anionic pillared-layer framework with triphenylamine-based linkers: ion exchange and counterion-dependent sorption properties
CrystEngComm, 2017
7232182 CIFC8 H4 In O8C m c e37.4012; 23.0052; 7.1553
90; 90; 90
6156.6Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin
New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility
RSC Advances, 2019, 9, 1918
7232933 CIFH O5 P UC m c e6.9632; 9.0671; 12.2695
90; 90; 90
774.648Steciuk, Gwladys; Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub
Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations
RSC Advances, 2019, 9, 19657
7234932 CIFC7 H4 I5 K O4C m c e37.861; 9.2563; 9.274
90; 90; 90
3250.1Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.
Halogen bonding in the structures of pentaiodobenzoic acid and its salts
CrystEngComm, 2019, 21, 6666
7234937 CIFC18 H18 Cl6 N4 O2 SnC m c e7.0873; 18.2022; 20.2832
90; 90; 90
2616.62Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.
Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition
CrystEngComm, 2019, 21, 2818
7234943 CIFC19 H24 B Cu3 N9 S3 WC m c e14.223; 19.574; 19.197
90; 90; 90
5344.5Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping
Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties
CrystEngComm, 2019, 21, 3343
7235420 CIFC4 H11 Cl Cu4 F4 N2 O12 P4C m c e13.9096; 13.6136; 19.723
90; 90; 90
3734.7Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.
Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines
CrystEngComm, 2015, 17, 160
7235421 CIFC6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5C m c e13.722; 13.7879; 24.8892
90; 90; 90
4709Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.
Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines
CrystEngComm, 2015, 17, 160
7235424 CIFC79.5 H66 Ag4 Cl2 F12 N18 O12 S4C m c e17.1919; 17.6525; 28.3109
90; 90; 90
8591.8Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.
Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?
CrystEngComm, 2015, 17, 81
7235935 CIFC8 H13 Cl N2 S SnC m c e8; 20.119; 16.731
90; 90; 90
2692.9Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.
Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets
RSC Advances, 2015, 5, 62882
7236488 CIFC80 H66 Br4 N14 O8 Zn2C m c e32.4215; 9.5567; 25.2788
90; 90; 90
7832.4Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang
Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane
CrystEngComm, 2017, 19, 3117
7236489 CIFC80 H66 Cl4 N14 O8 Zn2C m c e32.2944; 9.5094; 25.206
90; 90; 90
7740.8Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang
Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane
CrystEngComm, 2017, 19, 3117
7236490 CIFC76 H60 I4 N12 O8 Zn2C m c e32.2573; 9.3547; 25.2417
90; 90; 90
7616.87Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang
Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane
CrystEngComm, 2017, 19, 3117
7236493 CIFC12 H26 B2 Fe N18 O6C m c e10.914; 20.5461; 11.5001
90; 90; 90
2578.8Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.
Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)
CrystEngComm, 2017, 19, 3271
7236517 CIFC23 H22 N2 O5 ZnC m c e18.696; 14.2482; 16.1635
90; 90; 90
4305.7Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl
RSC Advances, 2018, 8, 7428
7237070 CIFC8 H14 B2 F8 N2C m c e9.79; 12.442; 11.16
90; 90; 90
1359.4Rok, M.; Szklarz, P.; Bator, G.
Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine
CrystEngComm, 2018, 20, 5772
7237161 CIFC36 H76 Cl4 Co6 N18 P6 S8C m c e23.1218; 10.7247; 24.0502
90; 90; 90
5963.8Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M.
A cobalt sulfide cluster-based catholyte for aqueous flow battery applications
Journal of Materials Chemistry A, 2018, 6, 21927
7237480 CIFC6 H16 Cd Cl4 N2C m c e7.5746; 22.852; 7.5728
90; 90; 90
1310.8Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua
Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite
Journal of Materials Chemistry C, 2018, 6, 10327
7237998 CIFC31.45 I8 N8 Pb2 S0.55C m c e29.051; 8.6982; 8.7096
90; 90; 90
2200.8Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai
Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites
Journal of Materials Chemistry C, 2019, 7, 11964
7237999 CIFC21.28 Cl8 N4 Pb2 S2.72C m c e32.397; 7.7997; 7.7943
90; 90; 90
1969.5Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai
Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites
Journal of Materials Chemistry C, 2019, 7, 11964

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