Crystallography Open Database

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2104629 CIF
Paper
?; ;
; ;
King, Graham; Garcia-Martin, Susana; Woodward, Patrick M.
Octahedral tilt twinning and compositional modulation in NaLaMgWO~6~
Acta Crystallographica Section B, 2009, 65, 676-683
9013948 CIFBr0.81 Cl1.19 Hg11 I2 O4A -17.0147; 11.8508; 12.5985
115.583; 82.575; 100.619
926.998Cooper, M. A.; Hawthorne, F. C.
The crystal structure of tedhadleyite, Hg2+Hg1+10O4I2(Cl,Br)2. from the Clear Creek Claim, San Benito County, California
Mineralogical Magazine, 2009, 73, 227-234
1504131 CIFC12 H6 O6A b a 210.4174; 37.939; 10.277
90; 90; 90
4061.7Li, Yan; Lampkins, Andrew J.; Baker, Matthew B.; Sumpter, Bobby G.; Huang, Jingsong; Abboud, Khalil A.; Castellano, Ronald K.
Benzotrifuranone: synthesis, structure, and access to polycyclic heteroaromatics.
Organic letters, 2009, 11, 4314-4317
2220929 CIF
HKL
Paper
C26 H18 Br2 N2A b a 215.9691; 8.3482; 16.7767
90; 90; 90
2236.6Dehghanpour, Saeed; Asadizadeh, Saeedeh; Gao, Shan; Ng, Seik Weng
<i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)biphenyl-2,2'-diamine
Acta Crystallographica Section E, 2009, 65, o306
2221522 CIF
HKL
Paper
C18 H12 N2 OA b a 218.2758; 18.5123; 7.7947
90; 90; 90
2637.16Hassan, Noor Doha; Tajuddin, Hairul Anuar; Abdullah, Zanariah; Ng, Seik Weng
1-Naphthyl quinoxalin-2-yl ether
Acta Crystallographica Section E, 2009, 65, o731
2221975 CIF
HKL
Paper
C38 H40 Fe4 O10A b a 214.599; 19.29; 12.955
90; 90; 90
3648.3Xiao, Yan-Feng; Li, Hong-Feng; Yan, Peng-Fei; Li, Guang-Ming
Bis[μ-1,1'-(ferrocene-1,1'-diyl)bis(butane-1,3-dionato)]di-μ-methanol-diiron(II)
Acta Crystallographica Section E, 2009, 65, m624
2222592 CIF
HKL
Paper
C14 H10 N2 OA b a 213.0119; 22.4944; 7.5355
90; 90; 90
2205.6Shah Bakhtiar, Nasir; Akmam A. Bakar, Maizathul; Abdullah, Zanariah; Ng, Seik Weng
2-(2-Naphthyloxy)pyrimidine
Acta Crystallographica Section E, 2009, 65, o1881
2223367 CIF
HKL
Paper
C18 H20 N4A b a 29.9777; 18.8351; 7.6963
90; 90; 90
1446.37Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; González-Salas, Diego; Dacunha-Marinho, Bruno
2,9-Dimethyl-6<i>H</i>,13<i>H</i>-5:12,7:14-dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine
Acta Crystallographica Section E, 2009, 65, o2553
2223665 CIF
HKL
Paper
C15 H11 N SA b a 210.7793; 21.26; 10.7244
90; 90; 90
2457.7Tao, Xuquan; Cui, Hui
<i>N</i>-(2-Thienylmethylene)naphthalen-1-amine
Acta Crystallographica Section E, 2009, 65, o2779
4068663 CIFC24 H29 Cl O3 P2 PdA b a 232.473; 17.736; 8.873
90; 90; 90
5110.3Hamada, Adel; Braunstein, Pierre
Palladium Alkyl Complexes Containing β-Phosphonato−Phosphine P,O Ligands and Their Reactivity toward CO-Ethylene or -Acrylate Insertion
Organometallics, 2009, 28, 1688
4069502 CIFC52 H72 Cu4 N4 O4A b a 224.418; 23.1746; 9.4477
90; 90; 90
5346.2Oguadinma, Paul O.; Schaper, Frank
Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes
Organometallics, 2009, 28, 4089
4105011 CIFC66 H150 Fe8 N6 O3 S9 Si8A b a 226.522; 28.749; 26.062
90; 90; 90
19872Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi
Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster
Journal of the American Chemical Society, 2009, 131, 13168-13178
4105013 CIFC62 H140 Cl2 Fe8 N6 O2.5 S9 Si8A b a 226.503; 29.012; 26.224
90; 90; 90
20164Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi
Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster
Journal of the American Chemical Society, 2009, 131, 13168-13178
4105014 CIFC64 H144 Br2 Fe8 N6 O3 S9 Si8A b a 226.201; 28.989; 26.46
90; 90; 90
20097Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi
Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster
Journal of the American Chemical Society, 2009, 131, 13168-13178
4509067 CIFC68 H42 Co5 N18 O5A b a 217.9653; 19.8784; 17.6947
90; 90; 90
6319.2Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui
Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy
Crystal Growth & Design, 2009, 9, 488
4509651 CIFC23 H27 N4 O5 SA b a 213.1383; 27.585; 12.4518
90; 90; 90
4512.8Soegiarto, Airon C.; Ward, Michael D.
Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks
Crystal Growth & Design, 2009, 9, 3803
4509695 CIFC16 H24 Cd N6 O5A b a 217.212; 13.6942; 18.955
90; 90; 90
4467.8Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng
Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties
Crystal Growth & Design, 2009, 9, 4872
7001102 CIFC14 H8 N2 O8A b a 29.316; 17.611; 7.964
90; 90; 90
1306.6Dawid, Urszula; Pruchnik, Florian P.; Starosta, Radosław
Structure and properties of 2,2′-bipyridine-3,3′,6,6′-tetracarboxylic acid and its iron(II) and cobalt(II) complexes
Dalton Transactions, 2009, 3348-3353
7002871 CIFC62 H58 B2 N6 RuA b a 216.589; 17.758; 18.439
90; 90; 90
5431.9Zhou, Yan; Xiao, Hong-Ping; Kang, Ling-Chen; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng
Synthesis and characterization of neutral iron(ii) and ruthenium(ii) complexes with the isocyanotriphenylborate ligand
Dalton Transactions, 2009, 10256-10262
7200497 CIFC30 H28 Cu N6 O8 S6A b a 220.144; 16.6614; 10.5603
90; 90; 90
3544.3Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.
From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand
CrystEngComm, 2009, 11, 817-826
7200705 CIFC39 H48 Cl4 N12 O4 Zn2A b a 212.9497; 41.02; 8.8874
90; 90; 90
4721Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan
Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes
CrystEngComm, 2009, 11, 975
7200706 CIFC40 H50 Cl4 N12 O4 Zn2A b a 212.965; 40.535; 8.8052
90; 90; 90
4627.5Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan
Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes
CrystEngComm, 2009, 11, 975
4301104 CIFC84 H132 Cu4 N8 O20 P4A e a 217.8321; 26.9021; 19.4751
90; 90; 90
9342.6Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh
Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands
Inorganic Chemistry, 2009, 48, 183-192
2104488 CIF
Paper
C26 H26 Ga N O2 P2A m a 217.743; 14.8424; 9.6445
90; 90; 90
2539.9Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
4301658 CIFC25 H28 Cl F3 N3 PA m a 213.7194; 18.513; 9.5476
90; 90; 90
2425Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith
Intramolecular Hydrogen-Bonded Tertiary Phosphines as 1,3,5-Triaza-7-phosphaadamantane (PTA) Analogues
Inorganic Chemistry, 2009, 48, 2633-2638
7001144 CIFC12 H16 Ag Cl2 N5 O3 SA m a 26.579; 27.779; 8.637
90; 90; 90
1578.5Wu, Hua; Dong, Xian-Wu; Ma, Jian-Fang; Liu, Hai-Yan; Yang, Jin; Bai, Hong-Ye
Influence of anionic sulfonate-containing and nitrogen-containing mixed-ligands on the structures of silver coordination polymers
Dalton Transactions, 2009, 3162-3174
2220901 CIF
HKL
Paper
C22 H26 O6 SA m m 219.751; 10.904; 5.092
90; 90; 90
1096.6Yi, Shi-xu; Men, Jian; Wang, Yang; Xiao, Yong; Gao, Guo-wei
2,2'-Dimethyl-4,4'-(sulfonyldi-<i>p</i>-phenylene)dibut-3-yn-2-ol dihydrate
Acta Crystallographica Section E, 2009, 65, o212
9013286 CIFAl4.158 Ca0.492 H46 K0.797 Mg0.069 Na1.981 O45.6 Si13.842A m m a13.6336; 18.2056; 17.8445
90; 90; 90
4429.15Ori, S.; Mazzucato, E.; Vezzalini, G.
Dehydration dynamics of barrerite: An in situ synchrotron XRPD study Note: BAR-A, T = 339 K
American Mineralogist, 2009, 94, 64-73
9013287 CIFAl2.079 Ca0.246 H8.28 K0.398 Mg0.035 Na0.986 O20.38 Si6.921A m m a13.6744; 17.8937; 17.5723
90; 90; 90
4299.69Ori, S.; Mazzucato, E.; Vezzalini, G.
Dehydration dynamics of barrerite: An in situ synchrotron XRPD study Note: BAR-A, T = 482 K
American Mineralogist, 2009, 94, 64-73
9013288 CIFAl4.158 Ca0.498 H12.5 K0.792 Mg0.07 Na1.975 O37.85 Si13.842A m m a13.5502; 17.1487; 16.0919
90; 90; 90
3739.25Ori, S.; Mazzucato, E.; Vezzalini, G.
Dehydration dynamics of barrerite: An in situ synchrotron XRPD study Note: BAR-B, T = 637 K
American Mineralogist, 2009, 94, 64-73
7000498 CIFC60 H81 Cl2 Cr Li N5 O4B -113.7888; 20.6256; 21.5347
93.354; 100.909; 96.853
5950.2Redshaw, Carl; Homden, Damien; Hughes, David L.; Wright, Joseph A.; Elsegood, Mark R. J.
New structural motifs in chromium(iii) calix[4 and 6]arene chemistry
Dalton Transactions, 2009, 1231-1242
1528349 CIFC0.8 H2 B5 Na2.4 O12.4 Sr1.1B 1 1 2/b11.322; 27.182; 6.565
90; 90; 94.66
2013.73Belokoneva, E.L.; Dimitrova, O.V.; Mochenova, N.N.
Synthetic Na,Sr-carbonatoborate with a new type of pentaborate layer: The OD nature of the structure and its correlation with volkovskite, veatchites, and hilgardites
Kristallografiya, 2009, 54, 13-19
9013434 CIFAl0.24 Fe5.6 H6 O18 P3 Zn1.16B b m m13.865; 16.798; 5.151
90; 90; 90
1199.69Elliot, P.; Kolitsch, U.; Giester, G.; Libowitzky, E.; McCammon, C.; Pring, A.; Birch, W. D.; Brugger, J.
Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia Locality: Broken Hill, New South Wales, Australia
Mineralogical Magazine, 2009, 73, 131-148
9013650 CIFH4.108 Mn O4.054C -15.1342; 2.8469; 7.4815
90.31; 101.559; 89.944
107.134Lopano, C. L.; Heaney, P. J.; Post, J. E.
Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.001 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
American Mineralogist, 2009, 94, 816-826
9013651 CIFH4.344 Mn O4.172C -15.1298; 2.8445; 7.5029
90.12; 101.395; 89.958
107.322Lopano, C. L.; Heaney, P. J.; Post, J. E.
Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.01 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
American Mineralogist, 2009, 94, 816-826
9013652 CIFH4.424 Mn O4.212C -15.1349; 2.8465; 7.5135
89.94; 101.561; 89.997
107.593Lopano, C. L.; Heaney, P. J.; Post, J. E.
Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.05 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
American Mineralogist, 2009, 94, 816-826
9013852 CIFAl0.721 Fe0.219 H4 Mg2.782 O9 Si1.279C -15.327; 9.233; 14.381
90.2; 97.2; 89.97
701.736Zanazzi, P. F.; Comodi, P.; Nazzareni, S.; Andreozzi, G. B.
Thermal behaviour of chlorite: an in situ single-crystal and powder diffraction study Note: T = 25 C
European Journal of Mineralogy, 2009, 21, 581-589
9013853 CIFAl0.721 Fe0.219 H4 Mg2.782 O9 Si1.279C -15.3454; 9.2584; 14.435
90.29; 97.28; 90
708.618Zanazzi, P. F.; Comodi, P.; Nazzareni, S.; Andreozzi, G. B.
Thermal behaviour of chlorite: an in situ single-crystal and powder diffraction study Note: T = 301 C
European Journal of Mineralogy, 2009, 21, 581-589
9013854 CIFAl0.721 Fe0.219 H4 Mg2.782 O9 Si1.279C -15.3504; 9.2661; 14.447
90.31; 97.29; 90
710.444Zanazzi, P. F.; Comodi, P.; Nazzareni, S.; Andreozzi, G. B.
Thermal behaviour of chlorite: an in situ single-crystal and powder diffraction study Note: T = 399 C
European Journal of Mineralogy, 2009, 21, 581-589
9013855 CIFAl0.721 Fe0.219 H4 Mg2.782 O9 Si1.279C -15.3533; 9.2778; 14.464
90.3; 97.27; 90
712.596Zanazzi, P. F.; Comodi, P.; Nazzareni, S.; Andreozzi, G. B.
Thermal behaviour of chlorite: an in situ single-crystal and powder diffraction study Note: T = 502 C
European Journal of Mineralogy, 2009, 21, 581-589
9013953 CIFAl0.08 Ba5.22 Ca0.58 F6.02 Fe10.08 H7.98 K0.68 Mg0.16 Mn5.12 Na2.58 Nb0.48 O71.98 Si16 Ti7.44 Zr0.16C -110.6965; 13.7861; 21.478
99.345; 92.315; 89.993
3122.56Camara, F.; Sokolova, E.; Nieto, F.
Camaraite, Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7. II. The crystal structure and crystal chemistry of a new group-II Ti-disilicate mineral Locality: the Verkhnee Espe alkaline deposit, Akjailyautas Mountains, Kazakhstan
Mineralogical Magazine, 2009, 73, 855-870
2104292 CIF
Paper
B3 Bi O6C 17.4781; 3.934; 6.2321
93.728; 102.933; 90.756
178.24Dinnebier, R. E.; Hinrichsen, B.; Lennie, A.; Jansen, M.
High-pressure crystal structure of the non-linear optical compound BiB~3~O~6~ from two-dimensional powder diffraction data
Acta Crystallographica Section B, 2009, 65, 1-10
1503691 CIFC21 H34 O4C 1 2 117.854; 7.164; 16.135
90; 107.171; 90
1971.8Chen, Jian-Jun; Li, Zheng-Ming; Gao, Kun; Chang, Jin; Yao, Xiao-Jun
Vladimuliecins A and B: cytotoxic pentacyclic pregnanols from Vladimiria muliensis.
Journal of natural products, 2009, 72, 1128-1132
1503695 CIFC31 H50 O4C 1 2 112.3341; 7.3877; 30.799
90; 97.604; 90
2781.7Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping
24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.
Journal of natural products, 2009, 72, 1410-1413
1503778 CIFC41.25 H50 O13.13C 1 2 139.015; 9.2033; 23.6697
90; 101.259; 90
8335.4Boone, Matthew A.; McDonald, Frank E.; Lichter, Joseph; Lutz, Stefan; Cao, Rui; Hardcastle, Kenneth I.
1,5-Alpha-D-mannoseptanosides, ring-size isomers that are impervious to alpha-mannosidase-catalyzed hydrolysis.
Organic letters, 2009, 11, 851-854
1503879 CIFC15 H27 N O2 S2C 1 2 119.68; 6.923; 15.753
90; 125.7; 90
1742.9Checa, Begoña; Gálvez, Erik; Parelló, Ricard; Sau, Miriam; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè; Solans, Xavier
New approach to the stereoselective synthesis of tertiary methyl ethers.
Organic letters, 2009, 11, 2193-2196
1503880 CIFC22 H52 Br2 P4 Pd2C 1 2 118.1731; 10.7733; 17.5878
90; 93.105; 90
3438.4Ogura, Tomokazu; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo
Optically active dinuclear palladium complexes containing a Pd-Pd bond: preparation and enantioinduction ability in asymmetric ring-opening reactions.
Organic letters, 2009, 11, 2245-2248
1503901 CIFC26 H25 Br O4C 1 2 121.672; 6.034; 18.445
90; 111.168; 90
2249.3Nair, Vijay; Babu, Beneesh P.; Vellalath, Sreekumar; Varghese, Vimal; Raveendran, Anabha E.; Suresh, Eringathodi
Nucleophilic heterocyclic carbene catalyzed annulation of enals to chalcones in methanol: a stereoselective synthesis of highly functionalized cyclopentanes.
Organic letters, 2009, 11, 2507-2510
1503961 CIFC24 H50 O5 Si4C 1 2 125.1341; 9.5269; 16.8986
90; 128.434; 90
3169.6Bower, Justin; Box, Matthew R.; Czyzewski, Michal; Goeta, Andres E.; Steel, Patrick G.
Acyl polysilanes: new acyl anion equivalents for additions to electron-deficient alkenes.
Organic letters, 2009, 11, 2744-2747
1504084 CIFC17 H24 N2 O4C 1 2 123.342; 5.7712; 17.317
90; 130.887; 90
1763.6Duguet, Nicolas; Slawin, Alexandra M. Z.; Smith, Andrew D.
An asymmetric hetero-claisen approach to 3-alkyl-3-aryloxindoles.
Organic letters, 2009, 11, 3858-3861

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