Crystallography Open Database

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2211922 CIF
HKL
Paper
C12 H12 N12 Ni O5P 32 2 112.406; 12.406; 12.211
90; 90; 120
1627.6Yun Ling; Hong-Yan Gao; Lei Zhang
[Bis(triazol-1-yl)acetato]nickel(II) monohydrate
Acta Crystallographica Section E, 2007, 63, m193-m195
2213623 CIF
HKL
Paper
C18 H9 I3 S3P 32 2 112.969; 12.969; 20.7
90; 90; 120
3015Zhu, Chen-Hao; Li, Wei-Jie; Kong, Lin
1,3,5-Tris(5-iodothiophen-2-yl)benzene
Acta Crystallographica Section E, 2007, 63, o2761-o2761
2217706 CIF
HKL
Paper
C17 H28 O5P 32 2 110.0253; 10.0253; 28.628
90; 90; 120
2491.8Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.
A second polymorph of β-arteether
Acta Crystallographica Section E, 2008, 64, o585-o586
2219249 CIF
HKL
Paper
C36 H28 P2 Pd S2P 32 2 19.306; 9.306; 30.069
90; 90; 120
2255.2Fierro-Arias, Jaime; Morales-Morales, David; Hernández-Ortega, Simón
<i>cis</i>-Bis[2-(diphenylphosphino)benzenethiolato-κ^2^<i>P</i>,<i>S</i>]palladium(II)
Acta Crystallographica Section E, 2008, 64, m1196
2222535 CIF
HKL
Paper
C6 H21 Br2 Mg N3P 32 2 19.0951; 9.0951; 14.4544
90; 90; 120
1035.49Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael
Dibromidotris(dimethylamine)magnesium(II)
Acta Crystallographica Section E, 2009, 65, m888
2236145 CIF
HKL
Paper
C24 H26 O2 Si2P 32 2 19.2241; 9.2241; 23.7787
90; 90; 120
1752.13Sparrow, Christopher R.; Fronczek, Frank R.; Watkins, Steven F.
1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione
Acta Crystallographica Section E, 2012, 68, o2809
2240843 CIF
HKL
Paper
Pd6.69 Sn4.31P 32 2 18.77574; 8.77574; 16.9004
90; 90; 120
1127.18Klein, Wilhelm; Jin, Hanpeng; Hlukhyy, Viktor; Fässler, Thomas F.
`Pd~20~Sn~13~' revisited: crystal structure of Pd~6.69~Sn~4.31~
Acta Crystallographica Section E, 2015, 71, 807-809
2240849 CIF
HKL
Paper
C5 N6P 32 2 18.0746; 8.0746; 16.7315
90; 90; 120
944.73Parrish, Damon A.; Kramer, Stephanie; Windler, G. Kenneth; Chavez, David E.; Leonard, Philip W.
Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile
Acta Crystallographica Section E, 2015, 71, o491
2300366 CIFGe0.97 O2 Si0.03P 32 2 14.983; 4.983; 5.6339
90; 90; 120
121.149Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300368 CIF
HKL
Ge0.9 O2 Si0.1P 32 2 14.97517; 4.97517; 5.60565
90; 90; 120
120.163Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300370 CIFO2 SiP 32 2 14.91636; 4.91636; 5.4084
90; 90; 120
113.211Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
3000027 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.5298; 9.5298; 7.5461
90; 90; 120
593.5Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
3000028 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.5337; 9.5337; 7.5516
90; 90; 120
594.42Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
3000029 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.5266; 9.5266; 7.5471
90; 90; 120
593.18Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
3000031 On hold until 2014-04-19B4 Dy Fe3 O12P 32 2 19.528; 9.528; 7.5462
90; 90; 120
593.28Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura
Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4
To be published
4000500 CIFGd H2 Na O9 S2P 32 2 16.8816; 6.8816; 12.7702
90; 90; 120
523.73Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko
Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates
Chemistry of Materials, 2005, 17, 2701-2706
4001621 CIFC73 H57 Br2 Cl9 Cu2 N2 P4P 32 2 118.5561; 18.5561; 21.2628
90; 90; 120
6340.5Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong
Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine
Chemistry of Materials, 2012, 24, 480
4001622 CIFC37 H29 Cl7 Cu N P2P 32 2 118.41; 18.41; 21.321
90; 90; 120
6258Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong
Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine
Chemistry of Materials, 2012, 24, 480
4001747 CIFB O5 P SrP 32 2 16.885; 6.885; 6.87
90; 90; 120
282.03Zhang Guochun; Du Chenxia; Pan Shilie; Chen Chuangyan; Fu Peizhen; Wu Xicheng; Li Zhihua
Growth, structure and properties of single crystals of Sr B P O5
Chemistry of Materials (1,1989-), 2003, 15, 2218-2221
4003222 CIFC7 H D11.14 Fe O3P 32 2 121.847; 21.847; 6.8729
90; 90; 120
2840.9Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003223 CIFC7 H D3.74 Fe O3P 32 2 121.831; 21.831; 6.8543
90; 90; 120
2829.1Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003224 CIFC7 H D7.64 Fe O3P 32 2 121.813; 21.813; 6.8688
90; 90; 120
2830.4Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003225 CIFC24 H28 Co2 N2 O8P 32 2 121.7036; 21.7036; 6.844
90; 90; 120
2791.93Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003226 CIFC7 H0.98 D2.02 Fe O3P 32 2 121.848; 21.848; 6.8136
90; 90; 120
2816.6Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4003227 CIFC7 H D5.2 Fe O3P 32 2 121.823; 21.823; 6.8695
90; 90; 120
2833.2Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.
Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)
Chemistry of Materials, 2016, 28, 1128
4020021 CIFC40.5 H27 Cl O2P 32 2 111.422; 11.422; 40.05
90; 90; 120
4525Matzger, Adam J.; Price, Christopher P.
Journal of Organic Chemistry, 2005, 70, 1-6
4020598 CIFC17 H21 N O5 SP 32 2 110.2987; 10.2987; 28.821
90; 90; 120
2647.4José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín
The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes
Journal of Organic Chemistry, 2005, 70, 8825-8834
4022121 CIFC156 H174 Br6 N12 O24P 32 2 134.775; 34.775; 31.201
90; 90; 120
32676.3Ho Yong Lee; Dohyun Moon; Myoung Soo Lah; Jong-In Hong
Triangular Assembly Through Charged Hydrogen Bonds in Polar Solvent
Journal of Organic Chemistry, 2006, 71, 9225-9228
4023103 CIFC13 H22 O3P 32 2 19.8192; 9.8192; 24.526
90; 90; 120
2047.9Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse
Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin
Journal of Organic Chemistry, 2007, 72, 9722-9731
4026234 CIFC30 H28 N2 O4 S2P 32 2 19.1735; 9.1735; 25.9022
90; 90; 120
1887.72Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm
Synthesis and Conformation of Chiral Biheteroaryls
Journal of Organic Chemistry, 2011, 76, 3222-3230
4026236 CIFC34 H36 N2 O4 S2P 32 2 110.7373; 10.7373; 47.341
90; 90; 120
4726.7Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm
Synthesis and Conformation of Chiral Biheteroaryls
Journal of Organic Chemistry, 2011, 76, 3222-3230
4027650 CIFC29 H44 N6 O7.5P 32 2 113.6137; 13.6137; 30.6199
90; 90; 120
4914.58Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle
Total Synthesis and Structural Revision of Lucentamycin A
Journal of Organic Chemistry, 2012, 77, 9859-9864
4028386 CIFC21 H19 Br2 N O6P 32 2 118.5929; 18.5929; 14.0338
90; 90; 120
4201.5Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu
Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans
Journal of Organic Chemistry, 2013, 78, 6488-6494
4028820 CIF
HKL
C28 H36 N2 O3P 32 2 117.3834; 17.3834; 48.1688
90; 90; 120
12605.7Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman
Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones
Journal of Organic Chemistry, 2013, 78, 12243-12250
4029419 CIFC31 H28 Cl N3 O2P 32 2 114.5913; 14.5913; 24.0429
90; 90; 120
4433.1Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang
Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.
The Journal of organic chemistry, 2014, 79, 4635-4643
4031635 CIFCr Cs2 N5 O15P 32 2 111.062; 11.062; 9.919
90; 90; 120
1051.15Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.
Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii), 2002, 47, 1845-1852
4034127 CIFC24 H33 Cl2 O P PdP 32 2 115.7436; 15.7436; 19.151
90; 90; 120
4110.8Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang
Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.
The Journal of organic chemistry, 2019, 84, 8423-8439
4034506 CIFC54 H76 O4 S2P 32 2 113.0211; 13.0211; 25.5008
90; 90; 120
3744.38Kortus, Daniel; Mikšátko, Jiří; Kundrát, Ondřej; Babor, Martin; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel
Chemistry of 2,14-Dithiacalix[4]arene: Alkylation and Conformational Behavior of Peralkylated Products.
The Journal of organic chemistry, 2019, 84, 11572-11580
4035112 CIFC16 H18 O3P 32 2 111.3565; 11.3565; 9.147
90; 90; 120
1021.64Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.
Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.
The Journal of organic chemistry, 2018, 83, 10070-10079
4035124 CIFC68 H24 O8P 32 2 111.8424; 11.8424; 23.682
90; 90; 120
2876.26Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi
Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.
The Journal of organic chemistry, 2018, 83, 10655-10659
4035282 CIFC28 H33 N O7P 32 2 120.0368; 20.0368; 12.7561
90; 90; 120
4435.12Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li
Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus.
The Journal of organic chemistry, 2018, 83, 12122-12128
4036164 CIFC12 H21 N O3 SP 32 2 19.1098; 9.1098; 29.0236
90; 90; 120
2085.93Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.
Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.
The Journal of organic chemistry, 2015, 80, 3974-3981
4062405 CIFC41 H76 N10 O Zr2P 32 2 113.3607; 13.3607; 23.5264
90; 90; 120
3637.01Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard
Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)
Organometallics, 2003, 22, 4818-4824
4065681 CIFC50 H72 I4 N8 Zn4P 32 2 112.208; 12.208; 34.722
90; 90; 120
4481.5Gutschank, Benjamin; Schulz, Stephan; Westphal, Ulrich; Bläser, Dieter; Boese, Roland
Synthesis and X-ray Crystal Structures of Tetranuclear Zincamidinate Complexes
Organometallics, 2010, 29, 2093
4069862 CIFC26 H52 Br N2 O P2 ReP 32 2 111.225; 11.225; 21.6967
90; 90; 120
2367.54Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz
Development of Rhenium Catalysts for Amine Borane Dehydrocoupling and Transfer Hydrogenation of Olefins
Organometallics, 2009, 28, 5493
4073277 CIFC44 H50 Cl2 P2 Ru2P 32 2 118.011; 18.011; 12.1888
90; 90; 120
3424.3Miyake, Yoshihiro; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki
Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes
Organometallics, 2007, 26, 3611
4073797 CIFC54 H64 Cl2 N4 O Rh2P 32 2 111.9962; 11.9962; 28.3024
90; 90; 120
3527.3Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions
Organometallics, 2007, 26, 5267
4078639 CIFC84 H80 F12 O5 P6 Pd2 S2P 32 2 114.9538; 14.9538; 30.2975
90; 90; 120
5867.3Suess, Daniel L. M.; Peters, Jonas C.
Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes
Organometallics, 2012, 31, 5213
4079829 CIFC20 H12 F2 O2P 32 2 110.68954; 10.68954; 23.2454
90; 90; 120
2300.31Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme
Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes
Organometallics, 2013, 32, 473
4081364 CIFC14 H22 F3 N3 O4 Pd SP 32 2 111.60504; 11.60504; 24.7296
90; 90; 120
2884.3Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.
Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones
Organometallics, 2013, 32, 4664

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