Crystallography Open Database
Search results
Result: there are 299 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'C m c e'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7125314 | CIF | C54 H66 B2 N4 O4 | C m c e | 10.924; 15.753; 27.04 90; 90; 90 | 4653 | Böhnke, 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 | CIF | C70 H93 B2 Br Co N8 P2 | C m c e | 25.9634; 17.706; 29.773 90; 90; 90 | 13686.9 | Drover, 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 | CIF | C14 H18 Cd F N9 P | C m c e | 16.172; 15.6943; 16.8867 90; 90; 90 | 4286 | Zhao, 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 | CIF | C108 H140 F24 N4 O8 P4 | C m c e | 39.9; 9.539; 26.857 90; 90; 90 | 10222 | Cheng, 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 | CIF | C8 H12 Ag F3 N2 O2 | C m c e | 12.5745; 12.3972; 14.2861 90; 90; 90 | 2227.04 | Brammer, 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 | CIF | C14 H17 Cl N4 | C m c e | 6.4586; 24.9625; 17.2461 90; 90; 90 | 2780.5 | Kureja, 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 | CIF | C9.75 H7.75 | C m c e | 20.155; 4.7512; 26.999 90; 90; 90 | 2585.4 | Jiménez, 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 | CIF | C112 H72.53 Cd3 Cl1.47 N24 O0.53 | C m c e | 47.491; 18.5114; 27.2738 90; 90; 90 | 23977 | Huang, 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 | CIF | C112 H74.8 Br1.2 Cd3 N24 O0.8 | C m c e | 47.7736; 18.5513; 27.2877 90; 90; 90 | 24184.1 | Huang, 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 | CIF | C67 H56 F18 Hf7 O24 P8 | C m c e | 17.594; 28.869; 26.289 90; 90; 90 | 13353 | Huang, 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 | CIF | C14 H16 O4 | C m c e | 12.4105; 7.2547; 13.7901 90; 90; 90 | 1241.6 | Li, 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 | CIF | C28 H183 Cu8 K4 N28 Na7 Nb54 O184 | C m c e | 56.364; 20.1214; 51.165 90; 90; 90 | 58027 | Wu, 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 | CIF | C32 H197 Cu11 K3 N32 Na4 Nb54 O184 | C m c e | 56.743; 19.9065; 55.091 90; 90; 90 | 62228 | Wu, 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 | CIF | C18 H16 Se | C m c e | 5.8303; 33.0703; 14.6045 90; 90; 90 | 2815.89 | Zhong, 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 | CIF | C10 H5 In N O5 | C m c e | 21.661; 23.081; 13.499 90; 90; 90 | 6749 | Jin, 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 | CIF | C8 H4 In O5 | C m c e | 21.8718; 23.1289; 13.5024 90; 90; 90 | 6830.5 | Jin, 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 | CIF | Al28.75 O174 P2 V9.11 W18.14 | C m c e | 29.9847; 27.7701; 23.4604 90; 90; 90 | 19535 | Zhou, 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 | CIF | C106 H146 N16 Tb4 | C m c e | 24.3756; 20.6384; 20.7047 90; 90; 90 | 10416 | Mavragani, 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 | CIF | C26 H46 N2 S2 | C m c e | 12.2275; 7.8196; 27.4908 90; 90; 90 | 2628.5 | Nayak, 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 | CIF | C8 H24 Cl6 N2 O2 Sn | C m c e | 14.3092; 10.9809; 13.651 90; 90; 90 | 2145 | Cai, 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 | CIF | C23 H23 B N2 O2 | C m c e | 7.2732; 18.924; 31.436 90; 90; 90 | 4326.8 | Shimomura, 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 | CIF | C18 H19 Cd N3 O6 | C m c e | 30.09; 17.23; 8.658 90; 90; 90 | 4489 | Fernández, 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 | CIF | C250.33 H239.03 Co24 N125.16 O93.65 | C m c e | 24.11298; 16.94684; 19.73992 90; 90; 90 | 8066.5 | Zhang, 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 | CIF | C54 H42 Co7 N6 O35 | C m c e | 24.6165; 35.8569; 30.2783 90; 90; 90 | 26725.8 | Guo, 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 | CIF | C32 H38 Cu2 Mo16 N24 O57 | C m c e | 26.9829; 37.6059; 19.3314 90; 90; 90 | 19615.9 | Wang, 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 | CIF | C16 H22 Co Mo8 N12 O30 | C m c e | 27.09; 38.276; 19.107 90; 90; 90 | 19812 | Wang, 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 | CIF | Ag2 F2 O6 Se2 Zr | C m c e | 7.364; 31.451; 6.2719 90; 90; 90 | 1452.6 | Qian, Cheng; Kong, Fang; Mao, Jianggao A Series of New Silver Selenites with d0-TM Cations RSC Adv., 2016 |
7226904 | CIF | C6 H4 I N3 | C m c e | 7.6148; 7.8988; 24.473 90; 90; 90 | 1472 | Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11 |
7227004 | CIF | C56 H36 Mg8 N4 Ni12 O89 P4 | C m c e | 28.0134; 17.8914; 12.7629 90; 90; 90 | 6396.8 | Geng, 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 | CIF | C11 H4 Ag Br4 F3 N2 O3 S | C m c e | 15.1879; 22.0564; 11.4445 90; 90; 90 | 3833.8 | Aubert, 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 | CIF | C50 H28 Co3 N2 O16 | C m c e | 33.6004; 26.9604; 23.2138 90; 90; 90 | 21028.9 | Akintola, 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 | CIF | C8 H4 In O8 | C m c e | 37.4012; 23.0052; 7.1553 90; 90; 90 | 6156.6 | Wu, 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 | CIF | H O5 P U | C m c e | 6.9632; 9.0671; 12.2695 90; 90; 90 | 774.648 | Steciuk, 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 | CIF | C7 H4 I5 K O4 | C m c e | 37.861; 9.2563; 9.274 90; 90; 90 | 3250.1 | Adonin, 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 | CIF | C18 H18 Cl6 N4 O2 Sn | C m c e | 7.0873; 18.2022; 20.2832 90; 90; 90 | 2616.62 | Oliveira, 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 | CIF | C19 H24 B Cu3 N9 S3 W | C m c e | 14.223; 19.574; 19.197 90; 90; 90 | 5344.5 | Liu, 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 | CIF | C4 H11 Cl Cu4 F4 N2 O12 P4 | C m c e | 13.9096; 13.6136; 19.723 90; 90; 90 | 3734.7 | Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T. Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines CrystEngComm, 2015, 17, 160 |
7235421 | CIF | C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 | C m c e | 13.722; 13.7879; 24.8892 90; 90; 90 | 4709 | Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T. Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines CrystEngComm, 2015, 17, 160 |
7235424 | CIF | C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 | C m c e | 17.1919; 17.6525; 28.3109 90; 90; 90 | 8591.8 | Bodman, 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 | CIF | C8 H13 Cl N2 S Sn | C m c e | 8; 20.119; 16.731 90; 90; 90 | 2692.9 | Tyagi, 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 | CIF | C80 H66 Br4 N14 O8 Zn2 | C m c e | 32.4215; 9.5567; 25.2788 90; 90; 90 | 7832.4 | Lee, 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 | CIF | C80 H66 Cl4 N14 O8 Zn2 | C m c e | 32.2944; 9.5094; 25.206 90; 90; 90 | 7740.8 | Lee, 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 | CIF | C76 H60 I4 N12 O8 Zn2 | C m c e | 32.2573; 9.3547; 25.2417 90; 90; 90 | 7616.87 | Lee, 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 | CIF | C12 H26 B2 Fe N18 O6 | C m c e | 10.914; 20.5461; 11.5001 90; 90; 90 | 2578.8 | Rat, 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 | CIF | C23 H22 N2 O5 Zn | C m c e | 18.696; 14.2482; 16.1635 90; 90; 90 | 4305.7 | Wang, 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 | CIF | C8 H14 B2 F8 N2 | C m c e | 9.79; 12.442; 11.16 90; 90; 90 | 1359.4 | Rok, M.; Szklarz, P.; Bator, G. Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine CrystEngComm, 2018, 20, 5772 |
7237161 | CIF | C36 H76 Cl4 Co6 N18 P6 S8 | C m c e | 23.1218; 10.7247; 24.0502 90; 90; 90 | 5963.8 | Freeman, 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 | CIF | C6 H16 Cd Cl4 N2 | C m c e | 7.5746; 22.852; 7.5728 90; 90; 90 | 1310.8 | Han, 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 | CIF | C31.45 I8 N8 Pb2 S0.55 | C m c e | 29.051; 8.6982; 8.7096 90; 90; 90 | 2200.8 | Wei, 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 | CIF | C21.28 Cl8 N4 Pb2 S2.72 | C m c e | 32.397; 7.7997; 7.7943 90; 90; 90 | 1969.5 | Wei, 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 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!