Crystallography Open Database

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4337144 CIFB3 H8 NaP m n 217.8497; 5.8106; 4.5754
90; 90; 90
208.691Dunbar, Andrew C.; Macor, Joseph A.; Girolami, Gregory S.
Synthesis and Single Crystal Structure of Sodium Octahydrotriborate, NaB3H8.
Inorganic chemistry, 2014, 53, 822-826
4337509 CIFBr2 F21 K10 Mo6 O12P m n 2120.079; 7.758; 11.4836
90; 90; 90
1788.83Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Inorganic chemistry, 2014, 53, 221-228
4337510 CIFBr2 F27 K10 Nb6 O6P m n 2120.0779; 7.7588; 11.4828
90; 90; 90
1788.8Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Inorganic chemistry, 2014, 53, 221-228
4337512 CIFBr F27 K10 Nb6 O6P m n 2120.1125; 7.7382; 11.4797
90; 90; 90
1786.64Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Inorganic chemistry, 2014, 53, 221-228
4337513 CIFF21 I2 K10 Mo6 O12P m n 2120.072; 7.7549; 11.4644
90; 90; 90
1784.51Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Inorganic chemistry, 2014, 53, 221-228
4337514 CIFCl2 F42.02 K20 Mo12 O24P m n 2119.907; 7.7643; 11.2139
90; 90; 90
1733.3Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Inorganic chemistry, 2014, 53, 221-228
4337516 CIFF27 I2 K10 Nb6 O6P m n 2120.3471; 7.8376; 11.6367
90; 90; 90
1855.73Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Inorganic chemistry, 2014, 53, 221-228
4338983 CIFC3 H6 O3 P2P m n 218.389; 5.7804; 6.4204
90; 90; 90
311.34Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
Comparisons of phosphorus ligation properties in P(CH2NR)3P.
Inorganic chemistry, 2007, 46, 9351-9363
4341693 CIFC19 H36 O7 TiP m n 2115.9892; 8.1331; 9.2864
90; 90; 90
1207.62Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.
Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.
Inorganic chemistry, 2014, 141117102556003
4341831 CIFMo2 O266 P16 U44P m n 2129.395; 25.5532; 27.939
90; 90; 90
20986Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.
Hybrid Uranium-Transition-Metal Oxide Cage Clusters.
Inorganic chemistry, 2014, 141201075026001
4342324 CIFAl3 Ca2 Na11 Sb8P m n 2118.969; 8.8533; 7.9304
90; 90; 90
1331.82Wang, Yi; Stoyko, Stanislav; Bobev, Svilen
Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.
Inorganic chemistry, 2015, 54, 1931-1939
4344218 CIFI2 ZrP m n 213.7442; 6.831; 14.886
90; 90; 90
380.734Corbett, J.D.; Guthrie, D.H.
A Second Infinite-Chain Form of Zirconium Diiodide (beta) and Its Coherent Intergrowth with alpha-Zirconium Diiodide
Inorganic Chemistry, 1982, 21, 1747-1751
4344748 CIFC48 H36 Fe6 O36P m n 2110.5869; 19.5108; 11.8159
90; 90; 90
2440.68Krap, Cristina P.; Newby, Ruth; Dhakshinamoorthy, Amarajothi; García, Hermenegildo; Cebula, Izabela; Easun, Timothy L.; Savage, Mathew; Eyley, Jennifer E.; Gao, Shan; Blake, Alexander J.; Lewis, William; Beton, Peter H.; Warren, Mark R.; Allan, David R.; Frogley, Mark D.; Tang, Chiu C.; Cinque, Gianfelice; Yang, Sihai; Schröder, Martin
Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).
Inorganic chemistry, 2016, 55, 1076-1088
4345040 CIFC26 H42 B N10 TiP m n 2111.634; 8.1814; 15.62
90; 90; 90
1486.7Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.
Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.
Inorganic chemistry, 2017, 56, 1031-1035
4347140 CIFC27 H36 Fe2 N6 S2P m n 2116.3918; 11.3097; 8.0218
90; 90; 90
1487.13Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6.
Inorganic chemistry, 2016, 55, 3401-3412
4350528 CIFC4 H7 Cu1.5 F N6 O1.5P m n 218.9307; 12.8226; 7.9821
90; 90; 90
914.07Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon
Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).
Inorganic chemistry, 2006, 45, 9346-9366
4509224 CIFBa Ga4 S7P m n 2114.755; 6.228; 5.929
90; 90; 90
544.8Lin, Xinsong; Zhang, Ge; Ye, Ning
Growth and Characterization of BaGa4S7: A New Crystal for Mid-IR Nonlinear Optics
Crystal Growth & Design, 2009, 9, 1186
4511722 CIFC7 H14 Br2 O3P m n 2112.016; 10.6738; 4.4634
90; 90; 90
572.46Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.
Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs
Crystal Growth & Design, 2014, 14, 4303
4511723 CIFC7 H14 Cl2 O3P m n 2111.703; 10.49; 4.4154
90; 90; 90
542.05Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.
Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs
Crystal Growth & Design, 2014, 14, 4303
4514644 CIFC48 H60 Co Li N2 OP m n 2117.4715; 10.5472; 10.9763
90; 90; 90
2022.66Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel
Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates
ACS Catalysis, 2019, 9, 7596
6000033 CIFAg Cd2 Ga S4P m n 218.146; 6.8989; 6.5932
90; 90; 90
370.53Chykhrij, S. I.; Parasyuk, O. V.; Halka, V. O.
Crystal structure of the new quaternary phase AgCd2GaS4 and phase diagram of the quasi-binary system AgGaS2-CdS
Journal of Alloys and Compounds, 2000, 312, 189-195
6000692 CIFAg7 S6 TaP m n 217.442; 7.403; 10.531
90; 90; 90
580.19Onoda, M.; Wada, H.; Yukino, K.; Ishii, M.
Powder X-ray-diffraction of low-temperature phases of Argyrodite-family compound AG7TAS6
Solid State Ionics, 1995, 79, 75-80
7006461 CIFC6 H7 Co O4 PP m n 215.6238; 14.391; 4.8615
90; 90; 90
393.45Salami, T. O.; Fan, X.; Zavalij, P. Y.; Oliver, S. R. J.
Hydrothermal synthesis and characterization of a layered cobalt phenylphosphonate, Co(PhPO3)(H2O).
Dalton transactions (Cambridge, England : 2003), 2006, 1574-1578
7011031 CIFC12 H18 Ag N5 O3 SP m n 216.562; 13.342; 8.555
90; 90; 90
749Shao-Liang Zheng; Ming-Liang Tong; Xiao-Ming Chen; Seik Weng Ng
Self-assembly of new three-dimensional molecular architectures constructed from silver(I)‒hexamethylenetetramine layers with supramolecular interactions
J. Chem. Soc., Dalton Trans., 2002, 360-364
7011847 CIFC14 H8 Fe N8P m n 2111.5198; 17.0112; 8.6659
90; 90; 90
1698.22Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.
Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/
Journal of the Chemical Society, Dalton Transactions, 2002, 3712
7015272 CIFC6 H15 Cl2 Co N4 O14P m n 2112.923; 6.542; 10.446
90; 90; 90
883.1Caballero, Ana B.; Rodríguez-Diéguez, Antonio; Lezama, Luis; Barea, Elisa; Salas, Juan M.
Structural and magnetic properties of three novel complexes with the versatile ligand 5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 5180-5187
7015804 CIFC15 H8 F2 OP m n 2124.758; 3.7984; 6.0626
90; 90; 90
570.13Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.
Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 5316-5323
7015830 CIFC40 H38 Cl F6 N3 Ni P3P m n 2121.7288; 7.6413; 11.6265
90; 90; 90
1930.42Cariou, Renan; Dahcheh, Fatme; Graham, Todd W.; Stephan, Douglas W.
Mononuclear and dinuclear palladium and nickel complexes of phosphinimine-based tridentate ligands.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 4918-4925
7016623 CIFC140 H120 B8 F32 N40 Ni4 S6P m n 2143.1698; 18.8181; 20.4261
90; 90; 90
16593.6Stephenson, Andrew; Ward, Michael D.
Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 10360-10369
7018497 CIFC29 H40 Cl2 Co N6 O3P m n 2116.4879; 9.9059; 9.463
90; 90; 90
1545.57Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki
Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 4107-4117
7021867 CIFFe Li2 O4 SiP m n 216.27758; 5.35136; 4.97208
90; 90; 90
167.03Yabuuchi, Naoaki; Yamakawa, Yuto; Yoshii, Kazuhiro; Komaba, Shinichi
Low-temperature phase of Li2FeSiO4: crystal structure and a preliminary study of electrochemical behavior.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1846-1848
7022771 CIFC12 H24 F6 N O9 P PbP m n 2112.958; 8.475; 9.296
90; 90; 90
1020.9Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian
Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 4714-4724
7025973 CIFC48 H75 F4 N P2 PdP m n 2113.9664; 16.9951; 9.6839
90; 90; 90
2298.6Breyer, David; Braun, Thomas; Penner, Anna
Isolation and reactivity of palladium hydrido complexes: intermediates in the hydrodefluorination of pentafluoropyridine.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 7513-7520
7026805 CIFC12.5 H8 Cu2 N2 O10.5P m n 2112.0693; 11.0441; 10.9609
90; 90; 90
1461.03Yang, En-Cui; Liu, Zheng-Yu; Liu, Zhong-Yi; Zhao, Li-Na; Zhao, Xiao-Jun
Long-range ferromagnetic ordering in a 3D Cu(II)-tetracarboxylate framework assisted by an unprecedented bidentate μ2-O1,N4 hypoxanthine nucleobase.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 8868-8871
7027685 CIFC7 H18 Cl10 N4 SeP m n 2113.974; 7.633; 10.23
90; 90; 90
1091.2Boyle, Philip D.; Godfrey, Stephen M.; Pritchard, Robin G.
The reaction of N-methylbenzothiazole-2-selone and 1,1-dimethylselenourea with sulfuryl chloride and dichlorine †
Journal of the Chemical Society, Dalton Transactions, 1999, 4245
7030284 CIFC2 H4 Ba O6 S2P m n 216.259; 8.266; 7.411
90; 90; 90
383.42Abdollahian, Yashar; Hauser, Jesse L.; Rogow, David L.; Oliver, Allen G.; Oliver, Scott R. J.
Solvothermal synthesis and characterization of two inorganic-organic hybrid materials based on barium.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 12630-12634
7035628 CIFO7 S Te2P m n 218.8798; 6.937; 4.6535
90; 90; 90
286.652Ahmed, M.A.K.; Kjekshus, A.; Fjellvag, H.
Synthesis, structure and thermal stability of tellurium oxides and oxide sulfate formed from reactions in refluxing sulfuric acid
Journal of the Chemical Society. Dalton Transactions (2000- ), 2000, 2000, 4542-4549
7036771 CIFB2 K O6 SbP m n 217.1133; 3.6883; 9.4096
90; 90; 90
246.87Zhao, Dan; Zhang, Rong-Hua; Li, Fei-Fei; Yang, Juan; Liu, Bing-Guo; Fan, Yun-Chang
(3 + 1)-Dimensional commensurately modulated structure and photoluminescence properties of diborate KSbOB2O5.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 6277-6287
7039322 CIFC3 H3 I2 N3P m n 2111.4559; 4.1982; 7.7048
90; 90; 90
370.56Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688
7040825 CIFC6 H7 Cu O4 PP m n 215.65908; 14.3406; 4.79644
90; 90; 90
389.25Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska
The crystallisation of copper(ii) phenylphosphonates.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 17453-17463
7041891 CIFC23 H15 O14 Zn3P m n 2120.137; 10.702; 11.418
90; 90; 90
2461Wu, Xue-Qian; Huang, Dan-Dan; Zhou, Zhi-Hang; Dong, Wen-Wen; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Zhang, Qichun; Bu, Xianhui
Ag-NPs embedded in two novel Zn3/Zn5-cluster-based metal-organic frameworks for catalytic reduction of 2/3/4-nitrophenol.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 2430-2438
7043233 CIFB18 Ba4 H30 O46P m n 2110.1679; 16.2316; 7.5544
90; 90; 90
1246.79Yang, Guo-Yu; Wei, Qi; Sun, Li; Zhang, Jie
Two Deep-Ultraviolet Nonlinear Optical Alkaline-Earth Metal Borates Based on Different Types of Oxoboron Clusters
Dalton Trans., 2017
7043348 CIFBr H6 O6 P3 Sn2P m n 215.4177; 7.1467; 13.8359
90; 90; 90
535.71Xie, Jie-Ling; Zhou, Yu-Hua; Li, Longhua; Zhang, Jian-Han; Song, Jun-Ling
A new method for the preparation of [Sn2(H2PO2)3]Br SHG-active polar crystal by surfactant-induced strategy
Dalton Trans., 2017
7048572 CIFC37 H46 B N O3P m n 2117.996; 8.254; 10.502
90; 90; 90
1560Kitamoto, Yuichi; Kobayashi, Fumiaki; Suzuki, Takatsugu; Miyata, Yasuo; Kita, Hiroshi; Funaki, Kenji; Oi, Shuichi
Investigation of the Lewis acidic behaviour of an oxygen-bridged planarized triphenylborane toward amines and the properties of their Lewis acid-base adducts.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 2118-2127
7050838 CIFC2 H5 O4 P ZnP m n 215.6805; 9.8101; 4.7988
90; 90; 90
267.419Menaa, Bouzid; Kariuki, Benson M.; Shannon, Ian J.
Preparation using metal oxide precursors and crystal structures of the copper and zinc vinylphosphonate materials M(O3PC2H3)·H2O (M = Cu, Zn)Electronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/nj/b2/b200438k/
New Journal of Chemistry, 2002, 26, 906
7052519 CIFC12 H13 Cl N2 OP m n 216.801; 12.199; 7.327
90; 90; 90
607.89Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics
New Journal of Chemistry, 2001, 25, 1520
7056175 CIFC20 H23 Cl F6 N2 P RhP m n 2112.9323; 8.1971; 10.4445
90; 90; 90
1107.19Kerner, Christian; Neu, Jens P.; Gaffga, Maximilian; Lang, Johannes; Oelkers, Benjamin; Sun, Yu; Niedner-Schatterburg, Gereon; Thiel, Werner R.
Gas-phase reactivity of Cp* Group IX metal complexes bearing aromatic N,N’-chelating ligands
New J. Chem., 2017, 41, 6995-7006
7058616 CIFGa2 P2 Rb2 S9P m n 217.067; 11.938; 9.694
90; 90; 90
817.8Hu, Qichang; Ruan, Kaibin; Wang, Yuzhu; Ding, Kai; Xu, Yong
Synthesis and nonlinear optical properties of new gallium thiophosphate Rb2Ga2P2S9
New Journal of Chemistry, 2019, 43, 12468
7061560 CIFC19 H14 NP m n 2114.1719; 8.9226; 5.6638
90; 90; 90
716.19Zhang, Fang; An, Yi; Liu, Jichang; Du, Guangfen; Cai, Zhihua; He, Lin
Assembly of unsymmetrical 1,3,5-triarylbenzenes via tandem reaction of β-arylethenesulfonyl fluorides and α-cyano-β-methylenones
New Journal of Chemistry, 2022, 46, 12367-12371
7062032 CIFC10 H6 B F4 S2P m n 2110.1169; 6.6072; 46.904
90; 90; 90
3135.3Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.
Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives
New Journal of Chemistry, 2022, 46, 22363-22383

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