Crystallography Open Database

Result: there are 220 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'i_1_2/c_1'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
4514233 CIFC30 H32 Fe N P SI 1 2/c 115.7631; 9.2957; 35.3175
90; 95.742; 90
5149.07Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang
Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration
ACS Catalysis, 2017, 7, 7709
4514719 CIFC18 H10 Cl2 N2 SI 1 2/c 118.9763; 13.5616; 24.1428
90; 95.348; 90
6186.1Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.
Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis
ACS Catalysis, 2019, 9, 4015
4516079 CIFC10 H13 Cl N4 OI 1 2/c 113.8204; 7.1084; 24.264
90; 105.34; 90
2298.8Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu
3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.
ACS omega, 2018, 3, 7224-7234
4516850 CIFC56 H52 B2 Cu F8 N4 O4I 1 2/c 116.8731; 13.9085; 21.1754
90; 93.668; 90
4959.3Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu
Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.
ACS omega, 2017, 2, 1380-1391
4516851 CIFC14 H13 N OI 1 2/c 112.1035; 7.5373; 24.9505
90; 102.083; 90
2225.75Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu
Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.
ACS omega, 2017, 2, 1380-1391
4517381 CIFC24 Al2 N4 O12I 1 2/c 124.7458; 5.635; 7.0259
90; 90.501; 90
979.672Liang, Jie; Li, Xiaohang; Xi, Rubing; Shan, Guangcun; Li, Pei-Zhou; Liu, Jia; Zhao, Yanli; Zou, Ruqiang
A Robust Aluminum Metal-Organic Framework with Temperature-Induced Breathing Effect
ACS Materials Letters, 2020, 220
4517631 CIFC24 H22 Cu I N3 O3I 1 2/c 118.18; 11.85; 24.082
90; 109.299; 90
4896.5Khatua, Sajal; Biswas, Protap
Flexible Luminescent MOF: Trapping of Less Stable Conformation of Rotational Isomers, In Situ Guest-Responsive Turn-Off and Turn-On Luminescence and Mechanistic Study.
ACS applied materials & interfaces, 2020
4517745 CIFC18 H17 N5 O2I 1 2/c 19.6089; 10.2089; 32.7406
90; 95.922; 90
3194.59Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander
Scaffolding-induced property modulation of chemical space.
ACS combinatorial science, 2020
4518230 CIFC72 H60 Cu4 I4 P4I 1 2/c 118.3661; 16.0719; 27.117
90; 108.602; 90
7586.2Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime
Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction.
ACS omega, 2020, 5, 30148-30159
5000039 CIFCa H4 O6 SI 1 2/c 15.67; 15.201; 6.533
90; 118.6; 90
494.4Cole, W. F.; Lancucki, C. J.
A refinement of the crystal structure of gypsum CaSO~4~.2H~2~O
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1974, 30, 921-929
5000185 CIFC18 H12I 1 2/c 18.386; 6.196; 25.203
90; 116.2; 90
1175Burns, D. M.; Iball, J.
Refinement of the Structure of Chrysene
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 1960, 257, 491-514
7027363 CIFC13 H20 N11 O12 TbI 1 2/c 19.354; 29.4; 9.836
90; 112.516; 90
2499Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.
Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides
Journal of the Chemical Society, Dalton Transactions, 1999, 2433
7027364 CIFC13 H20 N11 O12 SmI 1 2/c 19.353; 29.59; 9.889
90; 112.946; 90
2520Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.
Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides
Journal of the Chemical Society, Dalton Transactions, 1999, 2433
7027365 CIFC13 H20 N11 Nd O12I 1 2/c 19.326; 29.71; 9.895
90; 113.03; 90
2523Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.
Experimental and theoretical studies of a triazole ligand and complexes formed with the lanthanides
Journal of the Chemical Society, Dalton Transactions, 1999, 2433
7034932 CIFC48 H42 N8 O10I 1 2/c 116.7671; 18.6175; 28.0023
90; 102.197; 90
8543.9Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal
Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 15220-15231
7039380 CIFC44 H71 N10 Ni2 O14 Pr S4I 1 2/c 119.393; 13.171; 22.966
90; 95.69; 90
5837.2Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.
2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 10771-10779
7041586 CIFC18 H20 Cl Cu N4 S2I 1 2/c 113.5161; 10.4367; 28.1083
90; 92.378; 90
3961.6Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P.
Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 1324-1339
7041667 CIFC47 H41 Cl2 Co N6 O4I 1 2/c 121.884; 17.122; 23.362
90; 103.18; 90
8523Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua
Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 1951-1964
7042561 CIFC77 H62 Y2I 1 2/c 112.6353; 22.9872; 19.9472
90; 103.266; 90
5639.1Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 5326-5336
7046324 CIFC57 H60 B F15 N4I 1 2/c 123.1811; 11.0911; 43.6034
90; 92.608; 90
11199Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon
Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 7445-7455
7047522 CIFC33 H47 N5 O18 ZnI 1 2/c 118.5144; 13.2579; 18.8316
90; 105.277; 90
4459.1Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev
Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 14686-14695
7048299 CIFLa Nb0.88 O4 W0.12I 1 2/c 15.41306; 11.64322; 5.29631
90; 91.5403; 90
333.682Li, Cheng; Pramana, Stevin S.; Skinner, Stephen J.
Room temperature structure and transport properties of the incommensurate modulated LaNb<sub>0.88</sub>W<sub>0.12</sub>O<sub>4.06</sub>.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 1633-1646
7049206 CIFC74 H54 N4 O2 Pt2I 1 2/c 118.5883; 11.8497; 26.2885
90; 104.291; 90
5611.3Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng
1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 4420-4428
7055159 CIFC42 H43 N O6 S4I 1 2/c 119.8323; 10.8754; 37.256
90; 101.47; 90
7875Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.
Arylation of thiacalix[4]arenes using organomercurial intermediates
New J. Chem., 2016, 40, 1104
7055585 CIFC20 H12 O4 PbI 1 2/c 17.7028; 5.3856; 35.9661
90; 95.458; 90
1485.26Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing
Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands
New J. Chem., 2016, 40, 6867
7055586 CIFC25 H23 N O5 PbI 1 2/c 116.734; 8.002; 34.8764
90; 101.383; 90
4578.3Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing
Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands
New J. Chem., 2016, 40, 6867
7055613 CIFC16 H18 N4 S2I 1 2/c 113.4747; 9.6657; 13.4889
90; 105.678; 90
1691.5Phukan, Nithi; Baruah, Jubaraj B.
Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine
New J. Chem., 2016, 40, 6899
7057426 CIFC14 H18 N2 O2I 1 2/c 120.2808; 5.2993; 24.3454
90; 98.356; 90
2588.7Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.
Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions
New Journal of Chemistry, 2018
7059121 CIFC10 H8 N6 O4 SnI 1 2/c 111.9805; 9.1305; 12.6134
90; 116.631; 90
1233.4Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes
New Journal of Chemistry, 2018, 42, 17513
7059994 CIFC25 H20 Co1.5 N5 O8I 1 2/c 115.0379; 13.8407; 26.5035
90; 101.131; 90
5412.5Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu
Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations
New Journal of Chemistry, 2020, 44, 17821-17830
7059996 CIFC25 H20 N5 Ni1.5 O8I 1 2/c 115.2474; 13.5792; 26.1965
90; 100.068; 90
5340.4Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu
Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations
New Journal of Chemistry, 2020, 44, 17821-17830
7059997 CIFC25 H20 Mn1.5 N5 O8I 1 2/c 115.006; 14.1267; 26.9845
90; 102.14; 90
5592.4Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu
Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations
New Journal of Chemistry, 2020, 44, 17821-17830
7060088 CIFC54 H46 F2 Li2 N4 O7I 1 2/c 119.4525; 6.6516; 35.989
90; 98.923; 90
4600.3Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed
Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro
New Journal of Chemistry, 2021, 45, 45-52
7061068 CIFC114 H108 Al Cl4 N64 O53I 1 2/c 128.162; 22.226; 28.39
90; 90.21; 90
17770Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun
Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe
New Journal of Chemistry, 2022, 46, 97-102
7061464 CIFC19 H12 Cl N SI 1 2/c 125.36; 7.5833; 33.138
90; 110.162; 90
5982.3Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan
Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions
New Journal of Chemistry, 2022, 46, 10256-10263
7063322 CIFAg7 B9 H2 O18I 1 2/c 18.826; 8.825; 20.483
90; 100.22; 90
1570.1Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping
Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions
New Journal of Chemistry, 2024, 48, 13805-13813
7108501 CIFC44 H46 O10 S4I 1 2/c 119.1198; 11.603; 19.1943
90; 102.023; 90
4164.8Louis J. Farrugia; James H. Gall; David D. MacNicol
1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests
Chem.Commun., 2012, 48, 10600
7111938 CIFC80 H68 F12 N20 O12 Pb2 S4I 1 2/c 123.4956; 11.8708; 31.4169
90; 98.953; 90
8655.8Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu
Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection
Chem.Commun., 2014, 50, 2621
7118242 CIFC40 H24 In N2 O8I 1 2/c 126.9793; 21.3293; 26.4721
90; 97.001; 90
15119.8Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun
The dynamic response of a flexible indium based metal-organic framework to gas sorption.
Chemical communications (Cambridge, England), 2016, 52, 2277-2280
7123295 CIFC15 H26 Br2 N2 O4I 1 2/c 121.061; 6.7995; 26.557
90; 94.682; 90
3790.4Sanchez, Monica Kiewit; Wu, Chang-hao; Adams, Michael W.; Dyer, Richard Brian
Optimizing Electron Transfer from CdSe QDs to Hydrogenase for Photocatalytic H2 Production
Chemical Communications, 2019
7125343 CIFC44 H60 N2 O2I 1 2/c 113.5259; 9.785; 29.268
90; 95.506; 90
3855.8Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei
Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.
Chemical communications (Cambridge, England), 2018, 54, 11998-12001
7126939 CIFC38 H44 Br2 N2 S2 SnI 1 2/c 118.204; 9.6686; 22.537
90; 112.803; 90
3656.7Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne
Aggregation induced emission - emissive stannoles in the solid state.
Chemical communications (Cambridge, England), 2020, 56, 9775-9778
7129650 CIFC36 H24 Cd Cl2 N2 O4I 1 2/c 117.3731; 11.8564; 32.707
90; 97.366; 90
6681.5Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping
Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements
Chemical Communications, 2022
7129776 CIFC24 H88 B14 K2 N4 O12I 1 2/c 116.5487; 9.1479; 34.5522
90; 95.294; 90
5208.4Chen, Xi-Meng; Jia, Si-Han; Kang, Jiaxin; Zhang, Yichun; Ma, Yubin; Ma, Yi-ming; Jiang, Xin; Yu, Xing-Chao; Qiu, Pengtao; Chen, Xuenian
Synthesis of K[B3H7NH2BH2NH2B3H7] for K-ion solid-state electrolyte
Chemical Communications, 2022
7129918 CIFC54 H140 Cu2 Ge18 N4 Si16I 1 2/c 116.654; 27.2393; 27.6288
90; 103.416; 90
12191.6Wallach, Chistoph; Klein, Wilhelm; Fässler, Thomas F
Oxidative Coupling of Silylated Nonagermanide Clusters
Chemical Communications, 2022
7156471 CIFC18 H17 N OI 1 2/c 122.0489; 15.0516; 18.1612
90; 108.711; 90
5708.6Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min
New Friedel-Crafts strategy for preparing 3-acylindoles.
Organic & biomolecular chemistry, 2018, 16, 7792-7796
7158677 CIFC27 H23 N3 O3 SI 1 2/c 117.402; 11.109; 25.127
90; 101.82; 90
4755Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh
A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles
Organic & Biomolecular Chemistry, 2022
7209314 CIFAg Au Cl4I 1 2/c 113.223; 4.101; 13.089
90; 122.72; 90
597.157Straehle, J.; Werner, W.
Die Kristallstruktur des Silbertetrachloroaurats(III) Ag Au Cl4 und seine kristallchemische Verwandtschaft zum Rubidiumtetrachloro- Aurat(III) Rb Au Cl4
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 741-744
7213200 CIFC60 H80 N4 O6I 1 2/c 122.32; 21.09; 22.89
90; 94.583; 90
10741Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate
Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors
Journal of the Chemical Society, Perkin Transactions 2, 2000, 511
7218880 CIFC21 H25 N3 OI 1 2/c 121.2119; 7.8518; 23.5414
90; 95.42; 90
3903.3Mondal, Biplab; Kalita, Aswini; Kumar, Vikash
C-nitrosation of a -diketiminate ligand in copper(II) complex
RSC Adv., 2014

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!