Crystallography Open Database

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7006564 CIFC20.5 H26 Co N5 O5.5A -110.031; 10.612; 20.996
94.152; 80.05; 84.45
2182Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.
Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.
Dalton transactions (Cambridge, England : 2003), 2006, 1758-1767
4002441 CIFCa2 Cu2 Eu O6A 1 2/a 16.119; 6.132; 15.167
90; 107.86; 90
541.667Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.
Structure and magnetic properties of Eu2 Ca Cu2 O6
Chemistry of Materials (1,1989-), 2006, 18, 4585-4591
4002442 CIFCa Cu2 Eu2 O6A 1 2/a 16.084; 6.148; 15.34
90; 108.262; 90
544.885Xu Qiang; Klimczuk, T.; Jansen, J.; Zandbergen, H.W.; Cava, R.J.
Structure and magnetic properties of Eu2 Ca Cu2 O6
Chemistry of Materials (1,1989-), 2006, 18, 4585-4591
9007414 CIFCa0.9 Na0.1 O5 Si Ta0.1 Ti0.9A 1 2/a 17.0826; 8.7156; 6.5767
90; 113.911; 90
371.132Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa1
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007415 CIFCa0.8 Na0.2 O5 Si Ta0.2 Ti0.8A 1 2/a 17.1122; 8.7166; 6.5962
90; 114.078; 90
373.346Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: NaTa2
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007416 CIFAl0.1 Ca O5 Si Ta0.1 Ti0.8A 1 2/a 17.0547; 8.7121; 6.5629
90; 113.75; 90
369.204Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa1
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007417 CIFAl0.2 Ca O5 Si Ta0.2 Ti0.6A 1 2/a 17.061; 8.7162; 6.5697
90; 113.742; 90
370.113Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa2
Physics and Chemistry of Minerals, 2006, 33, 73-83
9007418 CIFAl0.3 Ca O5 Si Ta0.3 Ti0.4A 1 2/a 17.0699; 8.722; 6.5776
90; 113.744; 90
371.266Liferovich, R. P.; Mitchell, R. H.
Tantalum-bearing titanite: synthesis and crystal structure data Sample: AlTa3
Physics and Chemistry of Minerals, 2006, 33, 73-83
9010577 CIFCa0.9 Na0.1 Nb0.1 O5 Si Ti0.9A 1 2/a 17.0815; 8.7175; 6.575
90; 113.853; 90
371.225Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: NaNb1
The Canadian Mineralogist, 2006, 44, 1089-1097
9010578 CIFCa0.8 Na0.2 Nb0.2 O5 Si Ti0.8A 1 2/a 17.0952; 8.7172; 6.5824
90; 113.982; 90
371.978Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: NaNb2
The Canadian Mineralogist, 2006, 44, 1089-1097
9010579 CIFAl0.1 Ca Nb0.1 O5 Si Ti0.8A 1 2/a 17.0571; 8.7169; 6.563
90; 113.756; 90
369.521Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: AlNb1
The Canadian Mineralogist, 2006, 44, 1089-1097
9010580 CIFAl0.2 Ca Nb0.2 O5 Si Ti0.6A 1 2/a 17.0594; 8.7188; 6.5651
90; 113.747; 90
369.866Liferovich, R. P.; Mitchell, R. H.
Solid solutions of niobium in synthetic titanite Sample: AlNb2
The Canadian Mineralogist, 2006, 44, 1089-1097
1528731 CIFBi2 O6 WA 1 2/m 18.37422; 3.854296; 16.44044
90; 102.334; 90
518.396McDowell, N.A.; Knight, K.S.; Lightfoot, P.
Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6
Chemistry - A European Journal, 2006, 12, 1493-1499
4350305 CIFC24 H30 N5 O5 Re SA 1 2/n 114.269; 10.548; 33.9
90; 91.87; 90
5100Chiotellis, Aris; Tsoukalas, Charalambos; Pelecanou, Maria; Papadopoulos, Apostolos; Raptopoulou, Catherine; Terzis, Aris; Pirmettis, Ioannis; Papadopoulos, Minas; Chiotellis, Efstratios
Synthesis and characterization of novel "3 + 2" oxorhenium complexes, ReO[SNO][NN].
Inorganic chemistry, 2006, 45, 5635-5640
2207876 CIF
HKL
Paper
C19 H20 Co N2 O2A 21 a m7.529; 10.398; 21.553
90; 90; 90
1687.3Chen, Yue
{6,6'-Dimethyl-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)
Acta Crystallographica Section E, 2006, 62, m144-m145
1506081 CIFC9 H15 N O4A b a 217.5451; 16.2722; 7.3076
90; 90; 90
2086.3Persson, Tobias; Nielsen, John
Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.
Organic letters, 2006, 8, 3219-3222
2015247 CIF
HKL
Paper
C13 H10 Cl2 N4 O4A b a 215.2414; 22.643; 8.3783
90; 90; 90
2891.4Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine
Acta Crystallographica Section C, 2006, 62, o222-o226
2208670 CIF
HKL
Paper
C19 H18 O3A b a 27.2756; 33.583; 6.132
90; 90; 90
1498.3Harrison, William T. A.; Sarojini, B. K.; Vijaya Raj, K. K.; Yathirajan, H. S.; Narayana, B.
A redetermination of 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one at 120(2)K
Acta Crystallographica Section E, 2006, 62, o1522-o1523
2208695 CIF
HKL
Paper
C34 H26 Mn N4 O6A b a 212.948; 21.805; 10.47
90; 90; 90
2956Zi-Qiang Hu; Lian-Bin Wu; Guo-Qiao Lai
Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-hydroxybenzoato-κ<i>O</i>)manganese(II)
Acta Crystallographica Section E, 2006, 62, m712-m713
2209528 CIF
HKL
Paper
C28 H24 Cu N6 O4A b a 212.57; 18.731; 10.6482
90; 90; 90
2507.1Dang, Dong-Bin; Bai, Yan; Duan, Chun-Ying
Bis{<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene}hydrazinato]copper(II)
Acta Crystallographica Section E, 2006, 62, m1567-m1568
2210275 CIF
HKL
Paper
C28 H24 N6 Ni O4A b a 212.495; 18.672; 10.549
90; 90; 90
2461.2Dang, Dong-Bin; Bai, Yan; Duan, Chun-Ying
Bis{<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)
Acta Crystallographica Section E, 2006, 62, m2290-m2292
2210543 CIF
HKL
Paper
C9 H9 Br2 N O2A b a 218.7541; 21.9752; 5.0082
90; 90; 90
2064Sun, Yu-Xi; Zhang, Ran; Tian, Lai-Jin; Xu, Lai-Xiang; Sun Shan-Li
2,4-Dibromo-6-(2-hydroxyethyliminiomethyl)phenolate
Acta Crystallographica Section E, 2006, 62, o4433-o4435
2210708 CIF
HKL
Paper
C16 H13 N O3 SA b a 213.7388; 33.5802; 5.9538
90; 90; 90
2746.8Harrison, William T. A.; Yathirajan, H. S.; Mithun, A.; Narayana, B.; Sarojini, B. K.
3-[4-(Methylsulfanyl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2006, 62, o4508-o4509
2211243 CIF
HKL
Paper
C9 H9 Cl2 N O2A b a 218.619; 21.447; 4.8779
90; 90; 90
1947.9Ling Huang; Ding-Ben Chen; Duan Qiu; Bo Zhao
(<i>E</i>)-2,4-Dichloro-6-[(2-hydroxyethyliminio)methyl]phenolate
Acta Crystallographica Section E, 2006, 62, o5239-o5240
4021571 CIFC12 H22 OA b a 29.139; 19.074; 26.46
90; 90; 90
4612.5Kai Deng; Ahlem Bensari-Bouguerra; Joseph Whetstone; Theodore Cohen
Cyclization by Intramolecular Carbolithiation of Alkyl- and Vinyllithiums Prepared by the Action of Aromatic Radical Anions on Phenyl Thioethers. High Stereoselectivity in the Cyclization Accelerated by an Allylic Lithium Oxyanion
Journal of Organic Chemistry, 2006, 71, 2360-2372
4021871 CIFC19 H17 N O2A b a 219.877; 18.927; 8.0012
90; 90; 90
3010.2Yan-Chao Wu; Li Liu; Hui-Jing Li; Dong Wang; Yong-Jun Chen
Skraup-Doebner-Von Miller Quinoline Synthesis Revisited: Reversal of the Regiochemistry for γ-Aryl-β,γ-unsaturated α-Ketoesters
Journal of Organic Chemistry, 2006, 71, 6592-6595
4101011 CIFC23 H14 Cr N2 O9A b a 224.13; 12.02; 16.008
90; 90; 90
4643Journal of the American Chemical Society, 2006
4110858 CIFC92 H164 B4 Fe12 Mo4 N37 S20A b a 236.478; 26.208; 16.165
90; 90; 90
15454Curtis P. Berlinguette; R. H. Holm
Edge-Bridged Mo2Fe6S8 to PN-Type Mo2Fe6S9 Cluster Conversion: Structural Fate of the Attacking Sulfide/Selenide Nucleophile
Journal of the American Chemical Society, 2006, 128, 11993-12000
4332086 CIFCo2 In2 O26 Rb6 Si9A b a 220.7791; 12.0944; 10.7761
90; 90; 90
2708.1Hung, Ling-I; Wang, Sue-Lein; Chen, Yen-Hung; Lii, Kwang-Hwa
Rb6(InCo)2(Si9O26): A Mixed-Metal Silicate Containing 20-Membered-Ring Silicate Single Layers with a Very Low Si:O Ratio
Inorganic Chemistry, 2006, 45, 2100-2103
4332207 CIFC78 H68 B Cl4 F4 N12 Ni2A b a 217.5916; 18.8152; 21.6622
90; 90; 90
7170Berry, John F.; Bothe, Eberhard; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Villagrán, Dino; Wang, Xiaoping
Metal−Metal Bonding in Mixed Valence Ni25+Complexes and Spectroscopic Evidence for a Ni26+Species
Inorganic Chemistry, 2006, 45, 4396-4406
4504735 CIFC11 H10 N4 OA b a 213.8; 6.999; 9.992
90; 90; 90
965.1Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.
Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups
Crystal Growth & Design, 2006, 6, 555
4504801 CIFC11 H10 N4 OA b a 213.707; 7.014; 10.006
90; 90; 90
962Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini
Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?
Crystal Growth & Design, 2006, 6, 161
7006444 CIFC32 H82 Li2 O8 Si6A b a 222.008; 23.186; 19.182
90; 90; 90
9788Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.; Smith, J. David; Eaborn, C.
Alkali metal complexes of sterically hindered mono- and di-carbanions containing Si-O bonds.
Dalton transactions (Cambridge, England : 2003), 2006, 502-508
7007668 CIFC19 H30 Cl2 I2 P2 Se2A b a 212.0129; 20.2339; 11.7239
90; 90; 90
2849.7Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.
The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.
Dalton transactions (Cambridge, England : 2003), 2006, 4795-4804
7101347 CIFC42 H42 Mn2 O10 P2A b a 219.7993; 27.5435; 7.6297
90; 90; 90
4160.8Ch. Elschenbroich; Klaus Harms; Jorg Six
On a Novel Coordination Mode of Phosphinine C5H5P
Chemical Communications, 2006
7101418 CIFC16 H12 O4A b a 29.778; 13.5482; 9.4858
90; 90; 90
1256.62David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka
Copper Catalyzed Oxidation of Organozinc Halides
Chemical Communications, 2006
8101952 CIFC16 H16 B N O6A b a 28.544; 19.679; 9.117
90; 90; 90
1533Li, P.; Liu, Z.-H.
Crystal structure of dimethylammonium bis(salicylato)borate, [NH~2~ (CH~3~)~2~][BO~4~(C~7~H~4~O)~2~]
Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 179-180
4332401 CIFC48 H35 Cl Li N9 O4A b m 212.318; 22.84; 14.759
90; 90; 90
4152Hwang, In-Chul; Chandran, R. Prakash; Singh, N. Jiten; Khandelwal, Manish; Thangadurai, T. Daniel; Lee, Jung-Woo; Chang, Jeong Ah; Kim, Kwang S.
Organic−Inorganic Hybrid Compounds of Li with Bisimidazole Derivatives: Li Ion Binding Study and Topochemical Properties
Inorganic Chemistry, 2006, 45, 8062-8069
4074421 CIFC16 H34 Cl2 N4 O2 SiA e a 28.994; 21.354; 11.089
90; 90; 90
2129.7Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel
Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1
Organometallics, 2006, 25, 5416
4110987 CIFC120 H160 Al6 Cl12 N4 O22A e a 227.854; 25.16; 18.562
90; 90; 90
13008Weiping Su; Youngjo Kim; Arkady Ellern; Ilia A. Guzei; John G. Verkade
Facile Synthesis of Monomeric Alumatranes
Journal of the American Chemical Society, 2006, 128, 13727-13735
4332295 CIFC26 H24 I4 P2A e a 215.2158; 15.2876; 12.3342
90; 90; 90
2869.1Ellis, Bobby D.; Macdonald, Charles L. B.
Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds
Inorganic Chemistry, 2006, 45, 6864-6874
4350180 CIFC16 H37 Gd1.5 N12.5 O17 Ru2A e a 225.1267; 22.1514; 13.6062
90; 90; 90
7573.1Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.
Inorganic chemistry, 2006, 45, 3895-3904
4350182 CIFC16 H36 N12.5 O16.5 Ru2 Yb1.5A e a 224.9856; 21.9719; 13.483
90; 90; 90
7401.9Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.
Inorganic chemistry, 2006, 45, 3895-3904
4350183 CIFC16 H37 Eu1.5 N12.5 O17 Ru2A e a 225.16; 22.2; 13.623
90; 90; 90
7609Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.
Inorganic chemistry, 2006, 45, 3895-3904
1101148 CIFB3 Ca4 Na O9A m a 210.68004; 11.28574; 6.48521
90; 90; 90
781.68Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun
Structure Determination and Relative Properties of Novel Non-centrosymmetric Borates MM'~4~(BO~3~)~3~ (M=Na, M'=Ca and M=K, M'=Ca, Sr)
Inorganic Chemistry, 2006, 45, 3042-3047
1101149 CIFB3 Ca4 K O9A m a 210.63455; 11.51705; 6.51942
90; 90; 90
798.49Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun
Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, M' = Ca and M = K, M' = Ca, Sr)
Inorganic Chemistry, 2006, 45, 3042-3047
1101150 CIFB3 K O9 Sr4A m a 211.03843; 11.98974; 6.88446
90; 90; 90
911.14Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun
Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr)
Inorganic Chemistry, 2006, 45, 3042-3047
2015445 CIF
Paper
Mo2 O7 Rb2A m a 211.8887; 12.8303; 10.2464
90; 90; 90
1562.94Solodovnikova, Zoya A.; Solodovnikov, Sergey F.
Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~
Acta Crystallographica Section C, 2006, 62, i53-i56
2208896 CIF
HKL
Paper
C26 H23 Br3 Fe N PA m a 222.3226; 16.5842; 7.2972
90; 90; 90
2701.4Garagorri-Benito, David; Kirchner, Karl; Mereiter, Kurt
Tetraphenylphosphonium acetonitriletribromoferrate(II)
Acta Crystallographica Section E, 2006, 62, m1136-m1138
7006802 CIFC H29 K6 N3 Na O50.5 Si W11A m a 219.457; 22.581; 11.069
90; 90; 90
4863.3Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji
Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates.
Dalton transactions (Cambridge, England : 2003), 2006, 1213-1217

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