Crystallography Open Database

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4341974 CIFC14 H14 I6 SnA 1 n 114.51196; 12.54724; 13.01629
90; 94.3032; 90
2363.39Maughan, Annalise E.; Kurzman, Joshua A.; Neilson, James R.
Hybrid Inorganic-Organic Materials with an Optoelectronically Active Aromatic Cation: (C7H7)2SnI6 and C7H7PbI3.
Inorganic chemistry, 2015, 54, 370-378
2020053 CIF
HKL
C6 H18 Cl Co N6 O4A 2 1 18.856; 11.95; 11.75
90; 90; 90
1243.5Guzei, Ilia A.; Arderne, Charmaine
Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Acta Crystallographica Section C, 2015, 71
2019768 CIF
HKL
Paper
C14 H10 I N OA b a 28.1164; 13.3844; 22.7824
90; 90; 90
2474.92Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi
Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries
Acta Crystallographica Section C, 2015, 71
2019787 CIF
HKL
Paper
C24 H20 Mn N10 O2A b a 212.379; 19.2445; 9.8987
90; 90; 90
2358.1Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie
Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand
Acta Crystallographica Section C, 2015, 71
4343284 CIFC15 H12.5 Co N2.5 O6A b a 214.028; 29.3136; 7.3395
90; 90; 90
3018.08Singha, Debal Kanti; Mahata, Partha
Highly Selective and Sensitive Luminescence Turn-On-Based Sensing of Al(3+) Ions in Aqueous Medium Using a MOF with Free Functional Sites.
Inorganic chemistry, 2015, 54, 6373-6379
7034378 CIFC6 H18 As Ce N4 S3A b a 219.758; 9.6623; 14.9521
90; 90; 90
2854.47Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7034379 CIFC6 H18 As N4 Pr S3A b a 219.7203; 9.6404; 14.9599
90; 90; 90
2844.05Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7034380 CIFC6 H18 As N4 Nd S3A b a 219.648; 9.625; 14.947
90; 90; 90
2826.7Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7034381 CIFC6 H18 As N4 S3 SmA b a 219.4659; 9.57; 14.7915
90; 90; 90
2755.5Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7116449 CIFC34 H34 N2 O4 S4A b a 228.621; 26.533; 9.756
90; 90; 90
7409Yu Jiang; Xiang-Ying Tang; Min Shi
A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles
Chem.Commun., 2015, 51, 2122
7116868 CIFC28 H26 Er N5 O13A b a 217.572; 54.043; 9.58
90; 90; 90
9098Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran
Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study
Chemical Communications (Cambridge, United Kingdom), 2015, 51, 6137-6140
7116869 CIFC28 H26 Lu N5 O13A b a 217.439; 54.451; 9.5702
90; 90; 90
9088Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran
Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study
Chemical Communications (Cambridge, United Kingdom), 2015, 51, 6137-6140
7154181 CIFC21 H19 N O4A b a 253.5172; 17.0124; 7.5768
90; 90; 90
6898.3Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter
Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.
Organic & biomolecular chemistry, 2015, 13, 729-750
7235994 CIFC54 H32 Cl18 Cu N4A c a a :223.675; 29.299; 34.539
90; 90; 90
23958Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay
Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks
RSC Advances, 2015, 5, 84134
7235995 CIFC54 H32 Cl18 Mn N4A c a a :223.717; 29.432; 34.422
90; 90; 90
24028Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay
Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks
RSC Advances, 2015, 5, 84134
1561713 CIFC32 H27 N O5 ZnA e a 215.6909; 43.795; 7.7177
90; 90; 90
5303.5Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei
Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers
Journal of Solid State Chemistry, 2015, 231, 47-52
2311292 CIF
Paper
C7 H10 N O1.5A e a 212.4859; 14.3697; 7.732
90; 90; 90
1387.3Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R.
Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate.
Acta crystallographica. Section E, Crystallographic communications, 2015, 71, o533
2311312 CIFC14 H13 N O3A e a 215.337; 21.94; 6.808
90; 90; 90
2290.8Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda
A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.
Acta crystallographica. Section E, Crystallographic communications, 2015, 71, 1270-1277
4087434 CIFC24 H38 F6 Fe2 P S3A e a 218.018; 20.18; 15.868
90; 90; 90
5770Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping
Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes
Organometallics, 2015, 34, 1661
4129594 CIFC27 H31 Co N2A e a 216.0692; 16.4154; 8.581
90; 90; 90
2263.5Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.
Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.
Journal of the American Chemical Society, 2015, 137, 13244-13247
4342868 CIFC62 H56 Cl4 Er N7 O11A e a 218.705; 14.048; 23.527
90; 90; 90
6182.1Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei
Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.
Inorganic chemistry, 2015, 54, 5295-5300
4342869 CIFC62 H56 Cl4 N7 O11 YbA e a 218.705; 14.048; 23.527
90; 90; 90
6182.1Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei
Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.
Inorganic chemistry, 2015, 54, 5295-5300
4344458 CIFC23 H20 B12 Co2 F12 OA e a 219.6; 19.585; 16.583
90; 90; 90
6366Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad
Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.
Inorganic chemistry, 2015, 54, 11563-11566
4346149 CIFC18 H22 Fe N6 Se2A e a 213.2; 17.8552; 9.0813
90; 90; 90
2140.4Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine
Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.
Inorganic chemistry, 2015, 54, 5145-5147
4346150 CIFC18 H22 Fe N6 Se2A e a 239.457; 17.701; 8.9839
90; 90; 90
6274.6Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine
Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.
Inorganic chemistry, 2015, 54, 5145-5147
4346342 CIFC52 H68 Co2 N46 O35A e a 217.9725; 32.179; 15.7563
90; 90; 90
9112Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian
Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.
Inorganic chemistry, 2015, 54, 8077-8086
4513766 CIFC20 H26 Cl F6 N3 P RhA e a 228.458; 12.7428; 13.1834
90; 90; 90
4780.8Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
7036967 CIFC16 H24 B2 Fe N6A e a 214.3553; 15.2389; 8.8543
90; 90; 90
1937Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min
In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20551-20561
7036968 CIFC16 H24 B2 Fe N6A e a 214.3196; 15.4416; 9.451
90; 90; 90
2089.8Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min
In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20551-20561
7036970 CIFC16 H24 B2 N6 NiA e a 214.329; 15.405; 9.2136
90; 90; 90
2033.8Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min
In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20551-20561
7118054 CIFC22 H15 I N4 OA e a 222.3839; 36.433; 10.0332
90; 90; 90
8182.2Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun
O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles.
Chemical communications (Cambridge, England), 2015, 51, 15398-15401
7223536 CIFC84 H89.5 Fe2 N20 O8.75A e a 214.6547; 34.5808; 35.0669
90; 90; 90
17770.9Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase
Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.
RSC Advances, 2015, 6, 575-585
7223564 CIFC24 H18 Cl2 F2 Mn N4 O2A e a 213.476; 19.011; 9.349
90; 90; 90
2395.1Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza
The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds
RSC Adv., 2015
4341857 CIFBa3 Eu3 Na O20 Si6A m a 214.777; 23.926; 5.5533
90; 90; 90
1963.4Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.
Inorganic chemistry, 2015, 54, 905-913
4344008 CIFB7 Cs2 Li5 O14A m a 221.2775; 13.6296; 4.4283
90; 90; 90
1284.22Li, Lin; Han, Shujuan; Lei, Binghua; Dong, Xiaoyu; Wu, Hongping; Zhou, Zhongxiang; Yang, Zhihua; Pan, Shilie
Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10.
Inorganic chemistry, 2015, 54, 7381-7387
4512830 CIFC3 H Cl3 N2A m a 29.9264; 16.0761; 3.8161
90; 90; 90
608.96Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej
Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
Crystal Growth & Design, 2015, 15, 1658
4512831 CIFC3 H Br3 N2A m a 210.1305; 16.7094; 4.0483
90; 90; 90
685.27Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej
Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
Crystal Growth & Design, 2015, 15, 1658
4513025 CIFC26 H33 N O6A m a 213.8342; 22.8608; 7.8578
90; 90; 90
2485.11Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan
Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine
Crystal Growth & Design, 2015, 15, 2817
7034649 CIFC37 H58 Cl4 Co2 N8 O13A m a 224.1438; 17.6734; 10.6296
90; 90; 90
4535.68Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee
Inducing magnetic communication in caged dinuclear Co(ii) systems.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8649-8659
7034650 CIFC37 H58 Br Cl3 Co2 N8 O13A m a 224.3318; 17.6327; 10.6002
90; 90; 90
4547.9Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee
Inducing magnetic communication in caged dinuclear Co(ii) systems.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8649-8659
7220165 CIFC16 H32 Cl Cu3 I4 N4 O4A m a 228.8; 10.33; 9.2214
90; 90; 90
2743.4Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers
RSC Adv., 2015
7220166 CIFC16 H32 Cl Cu3 I4 N4 O4A m a 228.536; 10.276; 9.2102
90; 90; 90
2700.8Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers
RSC Adv., 2015
2300499 CIF
Paper
K0.5 Na0.5 Nb O3A m m 23.9443; 5.6425; 5.6763
90; 90; 90
126.33Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.
Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~
Journal of Applied Crystallography, 2015, 48
4342929 CIFCe2 Fe0.75 O2 Se2 Zn0.25B m a b22.74948; 5.69246; 17.63155
90; 90; 90
2283.29Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.
Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.
Inorganic chemistry, 2015, 54, 7230-7238
7157218 CIFC57 H109 N11 O8 SC 159.086; 9.0002; 18.4644
90.05; 105.8; 89.986
9448.1Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin
Chelate effects in sulfate binding by amide/urea-based ligands.
Organic & biomolecular chemistry, 2015, 13, 6953-6957
1517990 CIFC197.82 H137.82 Cl5.46C 1 2 153.108; 21.244; 26.197
90; 98.53; 90
29229Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki
Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures
Chem. Sci., 2015, 6, 909
1518275 CIFC14 H19 N OC 1 2 17.0592; 9.6718; 18.5618
90; 91.179; 90
1267.04Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter
Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.
Chemical science (Royal Society of Chemistry : 2010), 2015, 6, 1219-1224
1518338 CIFC36 H54 F18 N15 P3 Ru3 S9C 1 2 127.5079; 16.0629; 14.4082
90; 108.033; 90
6053.6Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.
Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry
Chem. Sci., 2015, 6, 1334
1518451 CIFC33 H31.75 N2 O5.88C 1 2 152.27; 5.01; 22.83
90; 105.49; 90
5761Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J.
The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine.
Soft matter, 2015, 11, 927-935
1518456 CIFC21 H28 O4 SC 1 2 119.3925; 6.0017; 17.9993
90; 107.635; 90
1996.45Lan, Ping; Banwell, Martin G.; Willis, Anthony C.
Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.
Organic letters, 2015, 17, 166-169

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