Crystallography Open Database

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2102787 CIF
Paper
Ca3.333 Nb2.666 O11.333 Ti0.6677.6889; 5.3381; 5.4763
90; 90; 89.921
224.77Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
Acta Crystallographica Section B, 2007, 63, 183-189
2102788 CIF
Paper
Ca3.429 Nb2.606 O11.429 Ti0.8237.6805; 5.3641; 5.4653
90; 90; 90.036
225.165Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
Acta Crystallographica Section B, 2007, 63, 183-189
2102944 CIF
Paper
Fe0.91 S(000 ???6.892; 11.952; 5.744
90; 90; 90
473.15Izaola, Zunbeltz; González, Santiago; Elcoro, Luis; Perez-Mato, J. M.; Madariaga, Gotzon; García, Alberto
Revision of pyrrhotite structures within a common superspace model
Acta Crystallographica Section B, 2007, 63, 693-702
4504081 CIFC38 H38 N8 O6A 1 2/a 119.704; 7.299; 25.698
90; 108.3; 90
3509Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang
Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions
Crystal Growth & Design, 2007, 7, 741
9010803 CIFAl2.75 Ca2 Fe0.125 Mg0.125 O14 Si3A 1 2/m 18.818; 5.898; 19.126
90; 97.26; 90
986.741Hatert, F.; Pasero, M.; Perchiazzi, N.; Theye, T.
Pumpellyite-(Al), a new mineral from Bertrix, Belgian Ardennes
European Journal of Mineralogy, 2007, 19, 247-253
1545062 CIFBi2 Ce0.1 O9 Si0.286 Sr0.9 Ta1.714A 21 a m5.5177; 5.5201; 25.0229
90; 90; 90
762.15Idemoto, Y.; Taniyama, S.
Changes in crystal structure and ferroelectric properties of Sr-Ce-Bi-Ta-Si-O ferroelectric material by Ce substitution, Bi-Si-O addition
Journal of the Ceramic Society of Japan, 2007, 115, 960-966
2213076 CIF
HKL
Paper
C14 H15 N OA b a 211.5745; 17.5499; 11.2629
90; 90; 90
2287.85M. Subramanyam; A. Thiruvalluvar; R. T. Sabapathy; S. Kamatchi
3-Cyano-3-methyl-5-phenylcyclohexanone
Acta Crystallographica Section E, 2007, 63, o2715-o2716
2214777 CIF
HKL
Paper
C20 H30 Mg2 N8 O9A b a 28.6927; 19.106; 16.834
90; 90; 90
2795.8Stadie, Nicholas P.; Sanchez-Smith, Rebeca; Groy, Thomas L.
Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>-bis[(acetic acid-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)magnesium(II)]
Acta Crystallographica Section E, 2007, 63, m2153-m2154
2214918 CIF
HKL
Paper
C12 H38 Cl2 N4 Ni O4A b a 214.159; 9.843; 15.221
90; 90; 90
2121.3Zhang, Yu-Zhen; Chen, Zi-Lu; Ng, Seik Weng
Diaqua(cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate
Acta Crystallographica Section E, 2007, 63, m2228-m2228
2214940 CIF
HKL
Paper
C21 H18 Cl4 N4 RuA b a 212.5658; 15.4595; 11.8864
90; 90; 90
2309.1Al-Noaimi, Mousa; Haddad, Salim F.
<i>cis</i>-Bis(2,2'-bipyridyl)dichloridoruthenium(II) dichloromethane solvate
Acta Crystallographica Section E, 2007, 63, m2332-m2332
4333300 CIFC156 H206 As32 N46 O170 V54 Zn10A b a 228.3414; 27.9995; 41.5819
90; 90; 90
32997Zheng, Shou-Tian; Wang, Ming-Hui; Yang, Guo-Yu
In situ ligand reactions under hydrothermal conditions afford a novel zinc-substituted polyoxovanadate dimer.
Inorganic chemistry, 2007, 46, 9503-9508
4504229 CIFC12 H11 Ag N4 O4A b a 218.125; 13.0397; 11.0126
90; 90; 90
2602.8Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong
Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands
Crystal Growth & Design, 2007, 7, 2481
4504272 CIFC40 H22 Mn N8 O4A b a 215.4071; 20.45; 9.9044
90; 90; 90
3120.6Wei, Yongqin; Yu, Yunfang; Wu, Kechen
Highly Stable Diamondoid Network Coordination Polymer [Mn(NCP)2]nwith Notable NLO, Magnetic, and Luminescence Properties
Crystal Growth & Design, 2007, 7, 2262
7005034 CIFC38 H60 N2 O2 Zn2A b a 218.132; 18.8215; 23.11
90; 90; 90
7886.8Doyle, David J.; Gibson, Vernon C.; White, Andrew J. P.
Synthesis and structures of bimetallic and polymeric zinc coordination compounds supported by salicylaldiminato and anilido-aldimine ligands.
Dalton transactions (Cambridge, England : 2003), 2007, 358-363
7005206 CIFC48 H74 Cl2 Cu2 N12 O11A b a 222.37; 15.246; 17.26
90; 90; 90
5886.6Derossi, Sofia; Farrell, David T.; Harding, Charles J.; McKee, Vickie; Nelson, Jane
N-methylation of macrobicycles reduces encapsulation ability.
Dalton transactions (Cambridge, England : 2003), 2007, 1762-1772
7101729 CIFC64.5 H120 In2 N Ni2 O27A b a 226.3713; 23.9207; 29.0728
90; 90; 90
18339.7Sañudo, E Carolina; Muryn, Christopher A; Helliwell, Madeleine A; Timco, Grigore A; Wernsdorfer, Wolfgang; Winpenny, Richard E P
Al, Ga and In heterometallic wheels and their by-products.
Chemical communications (Cambridge, England), 2007, 801-803
7101994 CIFC135 H117 Mn Mo36 N27 O118 P2A b a 234.826; 35.777; 16.575
90; 90; 90
20652Li, Yang-Guang; Dai, Li-Mei; Wang, Yong-Hui; Wang, Xin-Long; Wang, En-Bo; Su, Zhong-Min; Xu, Lin
A new molybdenum-oxide-based organic-inorganic hybrid framework templated by double-Keggin anions.
Chemical communications (Cambridge, England), 2007, 2593-2595
7202870 CIFC28 H24 N6 O4 ZnA b a 212.598; 18.483; 10.818
90; 90; 90
2519Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.
Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions
CrystEngComm, 2007, 9, 668
1528787 CIFLa O4 Sc SrA b m a5.76715; 5.74905; 12.5206
90; 90; 90
415.128Patel, R.; Simon, C.; Weller, M.T.
Ln Sr Sc O4 (Ln = La, Ce, Pr, Nd and Sm) systems and structure correlations for A2 B O4 (K2 Ni F4) structure types
Journal of Solid State Chemistry, 2007, 180, 349-359
1528789 CIFCe O4 Sc SrA b m a5.76064; 5.7459; 12.3942
90; 90; 90
410.249Patel, R.; Weller, M.T.; Simon, C.
Ln Sr Sc O4 (Ln = La, Ce, Pr, Nd and Sm) systems and structure correlations for A2 B O4 (K2 Ni F4) structure types
Journal of Solid State Chemistry, 2007, 180, 349-359
1528790 CIFO4 Pr Sc SrA b m a5.76247; 5.73387; 12.3206
90; 90; 90
407.088Patel, R.; Simon, C.; Weller, M.T.
Ln Sr Sc O4 (Ln = La, Ce, Pr, Nd and Sm) systems and structure correlations for A2 B O4 (K2 Ni F4) structure types
Journal of Solid State Chemistry, 2007, 180, 349-359
1528792 CIFNd O4 Sc SrA b m a5.74186; 5.70079; 12.2437
90; 90; 90
400.775Patel, R.; Weller, M.T.; Simon, C.
Ln Sr Sc O4 (Ln = La, Ce, Pr, Nd and Sm) systems and structure correlations for A2 B O4 (K2 Ni F4) structure types
Journal of Solid State Chemistry, 2007, 180, 349-359
1528793 CIFO4 Sc Sm SrA b m a5.73826; 5.69938; 12.2946
90; 90; 90
402.089Patel, R.; Simon, C.; Weller, M.T.
Ln Sr Sc O4 (Ln = La, Ce, Pr, Nd and Sm) systems and structure correlations for A2 B O4 (K2 Ni F4) structure types
Journal of Solid State Chemistry, 2007, 180, 349-359
4339669 CIFC36 H50 Ce3 Mn2 N6 O30A e a 222.6707; 14.8735; 15.7286
90; 90; 90
5303.6Tasiopoulos, Anastasios J.; Milligan, Jr, Paul L; Abboud, Khalil A.; O'Brien, Ted A; Christou, George
Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters.
Inorganic chemistry, 2007, 46, 9678-9691
2211896 CIF
HKL
Paper
C24 H40 B Cl Co N6A m a 216.429; 16.035; 10.6255
90; 90; 90
2799.2Gregory M. Ferrence; Adam D. Beitelman
Chloro[hydridotris(3-<i>tert</i>-butyl-5-methylpyrazolyl)borato]cobalt(II)
Acta Crystallographica Section E, 2007, 63, m153-m155
4504445 CIFC6 H4 Cu2 N2 S2A m a 27.3433; 8.5921; 12.889
90; 90; 90
813.2Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang
Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions
Crystal Growth & Design, 2007, 7, 2352
7005391 CIFC8 H23 B9 I8 N2A m a 211.1115; 14.8951; 17.5202
90; 90; 90
2899.7Teixidor, Francesc; Barberà, Gemma; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara
"Water-stable boron-iodinated dicarbollide dianions [7,8-nido-C2H2B9I9]2- and [7,8-nido-C2H2B9I8H]2-".
Dalton transactions (Cambridge, England : 2003), 2007, 1668-1670
1509917 CIFAg5 Cl2 P S4A m m 27.409; 11.143; 6.258
90; 90; 90
516.651Mewis, A.; Joergens, S.
Ag5 P S4 Cl2 and Ag15 (P S4)4 Cl3 - crystal structures and their relation to Ag3 P S4
Solid State Sciences, 2007, 9, 213-217
9010155 CIFH4 Mn Na0.29 O2.691C -15.178; 2.8509; 7.3344
89.45; 103.18; 89.91
105.412Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S.
Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: Na-birnessite
American Mineralogist, 2007, 92, 380-387
9010156 CIFH4 K0.23 Mn O2.776C -15.1371; 2.8476; 7.2131
89.96; 100.75; 89.702
103.663Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S.
Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: K-birnessite
American Mineralogist, 2007, 92, 380-387
9010157 CIFBa0.145 H4 Mn O2.444C -15.1711; 2.8476; 7.3076
89.516; 102.957; 89.897
104.862Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J.; Komarneni, S.
Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic Na-birnessite using synchrotron X-ray diffraction Locality: synthetic Sample: Ba-birnessite
American Mineralogist, 2007, 92, 380-387
1505283 CIFC22 H26 N2 O7C 1 2 123.8; 6.428; 15.69
90; 121.35; 90
2049.9Watanabe, Hideaki; Takano, Masashi; Umino, Akinori; Ito, Toshiya; Ishikawa, Hiroyuki; Nakada, Masahisa
Enantioselective total synthesis of (-)-erinacine B.
Organic letters, 2007, 9, 359-362
1505326 CIFC33 H36 O8C 1 2 117.216; 11.078; 16.173
90; 108.63; 90
2923Yang, Sheng-Ping; Gao, Zhao-Bing; Wang, Fang-Dao; Liao, Shang-Gao; Chen, Hua-Dong; Zhang, Chuan-Rui; Hu, Guo-Yuan; Yue, Jian-Min
Chlorahololides A and B, two potent and selective blockers of the potassium channel isolated from Chloranthus holostegius.
Organic letters, 2007, 9, 903-906
1505336 CIFC31 H24 Cl2 N2 O2C 1 2 121.612; 5.5038; 11.8718
90; 121.939; 90
1198.3Wada, Azusa; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken
Enantioselective synthesis of C2 -symmetric spirobipyridine ligands through cationic Rh(I)/modified-BINAP- catalyzed double [2 + 2 + 2] cycloaddition.
Organic letters, 2007, 9, 1295-1298
1505343 CIFC14 H22 O4C 1 2 113.042; 13.746; 7.51
90; 90.74; 90
1346.2Chanu, Angéline; Safir, Imad; Basak, Ramkrishna; Chiaroni, Angèle; Arseniyadis, Siméon
Enantioselective total synthesis of 1-epi-pathylactone A.
Organic letters, 2007, 9, 1351-1354
1505432 CIFC20 H22 O6C 1 2 126.729; 6.1676; 11.6348
90; 114.247; 90
1748.8Takikawa, Hiroshi; Suzuki, Keisuke
Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.
Organic letters, 2007, 9, 2713-2716
1505501 CIFC15 H27 I2 N2 OC 1 2 119.778; 8.141; 12.696
90; 109; 90
1933Pham, Van Cuong; Jossang, Akino; Chiaroni, Angèle; Sévenet, Thierry; Nguyen, Van Hung; Bodo, Bernard
Solution and crystal conformations of myrionine, a new 8beta-alkyl-cis-decahydroquinoline of Myrioneuron nutans.
Organic letters, 2007, 9, 3531-3534
1505506 CIFC26 H29 N O5C 1 2 135.16; 6.0221; 11.589
90; 106.518; 90
2352.6Gilley, Cynthia B.; Buller, Matthew J.; Kobayashi, Yoshihisa
New entry to convertible isocyanides for the Ugi reaction and its application to the stereocontrolled formal total synthesis of the proteasome inhibitor omuralide.
Organic letters, 2007, 9, 3631-3634
1505545 CIFC13 H14 Br N O3C 1 2 120.682; 5.9165; 11.67
90; 115.333; 90
1290.7Ko, Changhong; Hsung, Richard P.; Al-Rashid, Ziyad F; Feltenberger, John B.; Lu, Ting; Yang, Jin-Haek; Wei, Yonggang; Zificsak, Craig A.
A stereoselective intramolecular halo-etherification of chiral enamides in the synthesis of halogenated cyclic ethers.
Organic letters, 2007, 9, 4459-4462
1505580 CIFC80 H134 N4 O13C 1 2 123.563; 8.728; 19.397
90; 90.48; 90
3989Zhang, Yu-Mei; Tan, Ning-Hua; Lu, Yang; Chang, Ying; Jia, Rui-Rui
Chamobtusin A, a novel skeleton diterpenoid alkaloid from Chamaecyparis obtusa cv. tetragon.
Organic letters, 2007, 9, 4579-4581
1505612 CIFC23 H28 O11 SC 1 2 127.301; 9.969; 18.683
90; 104.455; 90
4924Porto, Silvia; Seco, José Manuel; Ortiz, Aurelio; Quiñoá, Emilio; Riguera, Ricardo
Chiral thiols: the assignment of their absolute configuration by 1H NMR.
Organic letters, 2007, 9, 5015-5018
1505621 CIFC20 H22 O4C 1 2 110.392; 6.462; 13.048
90; 94.84; 90
873.1Hayashi, Naoto; Yoshikawa, Takahiro; Ohnuma, Takahiro; Higuchi, Hiroyuki; Sako, Katsuya; Uekusa, Hidehiro
Synthesis, structure, and properties of benzoquinone dimer and trimers bearing t-Bu substituents.
Organic letters, 2007, 9, 5417-5420
1528352 CIFB21 H18 KC 1 2 112.486; 7.106; 16.9436
90; 93.81; 90
1500.01Bernhardt, E.; Brauer, D.J.; Finze, M.; Willner, H.
closo-[B21 H18](-): A face-fused diicosahedral borate ion
Angewandte Chemie (Edition international), 2007, 46, 2927-2930
1556116 CIFC24.5 H26 N O4.5 SC 1 2 125.446; 5.8028; 16.3488
90; 110.637; 90
2259.1Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao
Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.
Organic letters, 2007, 9, 1307-1310
2015863 CIF
HKL
Paper
C16 H26 O6C 1 2 112.7; 6.9721; 18.422
90; 107.275; 90
1557.6Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew
Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures
Acta Crystallographica Section C, 2007, 63, o169-o172
2015864 CIF
HKL
Paper
C16 H32 O9C 1 2 113.1708; 6.9513; 20.737
90; 97.899; 90
1880.5Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew
Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures
Acta Crystallographica Section C, 2007, 63, o169-o172
2015869 CIF
HKL
Paper
C21 H28 O8C 1 2 147.506; 5.392; 8.288
90; 100.38; 90
2088.2Bats, Jan W.; Miculka, Christian; Noe, Christian R.
1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane
Acta Crystallographica Section C, 2007, 63, o190-o192
2015937 CIF
HKL
Paper
C27 H23 Cl2 N OC 1 2 125.746; 6.1251; 16.1829
90; 113.55; 90
2339.4J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan
(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one
Acta Crystallographica Section C, 2007, 63, o315-o318
2102851 CIF
Paper
C20 H22 O4C 1 2 123.2312; 4.975; 15.484
90; 112.53; 90
1653Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2211720 CIF
HKL
Paper
C64 H59 Cl N2 O P2 RuC 1 2 124.95; 10.737; 19.456
90; 96.978; 90
5173.4Abdur-Rashid, Kamaluddin; Lough, Alan J.
[(<i>R</i>)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']chlorohydrido{(<i>S</i>)-2-methyl-1-[(4<i>R</i>,5<i>R</i>)-4-methyl-5-phenyl-4,5-dihydrooxazol-2-yl]propan-1-amine-κ^2^<i>N</i>,<i>N</i>'}ruthenium(II) benzene solvate: an active ketone hydrogenation catalyst
Acta Crystallographica Section E, 2007, 63, m246-m248

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