Crystallography Open Database

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1000334 CIFLi2 O6 Te TiP n n 25.0743; 4.9067; 8.4083
90; 90; 90		209.4Crosnier, M P; Delarue, E; Choisnet, J; Fourquet, J L
Li^+^-H^+^ exchange on Li~2~TiTeO~6~
European Journal of Solid State Inorganic Chemistry, 1992, 39, 321-332
1001856 CIFLi2 O6 Te TiP n n 25.072; 4.903; 8.402
90; 90; 90		208.9Choisnet, J; Rulmont, A; Tarte, P
Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6
Journal of Solid State Chemistry, 1989, 82, 272-278
1010670 CIFAg H6 N3 O3P n n 28; 10.58; 6.29
90; 90; 90		532.4Corey, R B; Pestrecov, K
The space group of silver nitrate diammoniate Ag N O~3~ (N H~3~)~2~
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1934, 89, 528-528
1100140 CIFC34 H41.5 Cl2 Cu3 N9 O12.25P n n 217.076; 19.341; 13.481
90; 90; 90		4452.3Barea, Elisa; Quiros, Miguel; Navarro, Jorge A. R.; Salas, Juan M.
Heteroleptic pyrimidine-2-olate and 4,4[prime or minute]-bipyridine copper(II) layered metal-organic frameworks with swelling properties.
Dalton transactions (Cambridge, England : 2003), 2005, 1743-1746
1509425 CIFAg K2 S4 SbP n n 210.348; 10.522; 7.946
90; 90; 90		865.174Schimek, G.L.; Wood, P.T.; Pennington, W.T.; Kolis, J.W.
Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb)
Journal of Solid State Chemistry, 1996, 123, 277-284
1509761 CIFAg2 Bi O3P n n 25.983; 6.3239; 9.5762
90; 90; 90		362.324Oberndorfer, C.P.M.; Dinnebier, R.E.; Ibberson, R.M.; Jansen, M.
Charge ordering in Ag2 Bi O3
Solid State Sciences, 2006, 8, 267-276
1511529 CIFB5 Br Ca2 O9P n n 211.397; 11.255; 6.293
90; 90; 90		807.223Fouassier, C.; Lloyd, D.J.; Levasseur, A.
Structure cristalline du bromoborate Ca2 B5 O9 Br
Journal of Solid State Chemistry, 1973, 6, 179-186
1511531 CIFB5 Cl Eu2 O9P n n 211.364; 11.301; 6.504
90; 90; 90		835.273Shiokawa, J.; Moriwaki, Y.; Adachi, G.Y.; Machida, K.I.
The crystal structure and luminescence properties of europium(II) haloborates
Bulletin of the Chemical Society of Japan, 1981, 54, 1048-1051
1519874 CIFC10 H11 N3 OP n n 212.7013; 16.5159; 4.3164
90; 90; 90		905.47Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.
[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol
Crystal Structure Report Archive, 2007, 282
1520994 CIFB5 Ba2 Cl H O9.5P n n 211.716; 11.574; 6.7
90; 90; 90		908.527Ferro, O.; Pushcharovskii, D.Yu.; Merlino, S.; Vinogradova, S.A.; Dimitrova, O.V.
Crystal structures of two new Ba borates pentaborate, Ba2 (B5 O9) Cl . 0.5(H2 O) and Ba2 (B5 O8 (O H)2) (O H)
Journal of Alloys Compd., 2000, 305, 63-71
1521207 CIFAl O4 PP n n 213.7711; 23.846; 8.3769
90; 90; 90		2750.85Ikeda, T.; Izumi, F.; Miyazawa, K.; Santoro, A.; Huang, Q.
Structural study of the aluminophosphate (Al P O4)-5 by neutron powder diffraction
Journal of Physics and Chemistry of Solids, 1999, 60, 1531-1535
1525664 CIFB5 Cl H0.5 Na0.5 O9.5 Pb2P n n 211.51; 11.45; 6.563
90; 90; 90		864.934Belokoneva, E.L.; Stefanovich, S.Yu.; Dimitrova, O.V.; Korchemkina, T.A.
Na0.5 Pb2 (B5 O9) Cl (O H)0.5, a new polar modification of hilgardite containing Na cations in the cavities of the framework. The OD-family of the 5:(2Delta+3*(box)) pentaborates:hilgardites, heidornite, probertite and ulexite
Kristallografiya, 2000, 45, 814-823
1528298 CIFB5 H2.5 Na0.5 O11 Pb2P n n 211.426; 11.328; 6.5735
90; 90; 90		850.833Al'-Ama, A.G.; Dimitrova, O.V.; Belokoneva, E.L.; Stefanovich, S.Yu.; Mochenova, N.N.
A new nonlinear optical borate, Na0.5 Pb2 [B5 O9] (O H)1.5 . 0.5H2 O, from the orthorhombic hilgardite family
Kristallografiya, 2006, 51, 429-433
1530779 CIFEu Li O8 S2P n n 27.632; 7.632; 5.566
90; 90; 90		324.205Sirotinkin, S.P.; Efremov, V.A.; Kovba, L.M.; Pokrovskii, A.N.
Crystal structure of lithium-europium double sulfate
Kristallografiya, 1977, 22, 966-970
1534247 CIFB5 Br O9 Pb2P n n 211.524; 11.431; 6.5399
90; 90; 90		861.507Belokoneva, E.L.; Dimitrova, O.V.; Kabalov, Yu.K.; Stefanovich, S.Yu.
New hilgardite-group polyborate Pb2 [B5 O9] Br with a high optical nonlinearity
Kristallografiya, 2003, 48, 49-53
1535640 CIFAl2 Br8 TiP n n 26.274; 12.801; 8.676
90; 90; 90		696.8Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M.
Synthesis and crystal structures of TiBr4,TiBr3 and Ti(AlBr4)2
Zhurnal Neorganicheskoi Khimii, 1990, 35, 882-887
1536039 CIFLi2 O6 Sn TeP n n 25.192; 4.927; 8.513
90; 90; 90		217.771Choisnet, J.; Rulmont, A.; Tarte, P.
Ordering phenomena in the Li Sb O3 type structure: The new mixed tellurates Li2 Ti Te O6 and Li2 Sn Te O6
Journal of Solid State Chemistry, 1989, 82, 272-278
1536678 CIFAs F5 H6 N2P n n 27.74; 16.292; 4.366
90; 90; 90		550.553Klampfer, P.; Ponikvar, M.; Benkic, P.; Rahten, A.; Lesar, A.; Jesih, A.
Synthesis, crystal structure and Raman spectrum of hydrazinium(+2) fluoroarsenate(III) fluoride, N2 H6 As F4 F
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 2003, 134, 1-9
1549519 CIFH4 O10 Si2 Zn4P n n 28.1407; 10.6127; 5.04567
90; 90; 90		435.92Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549522 CIFH4 O10 Si2 Zn4P n n 28.0863; 10.5218; 5.02927
90; 90; 90		427.9Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1549523 CIFH4 O10 Si2 Zn4P n n 28.1034; 10.5561; 5.0324
90; 90; 90		430.47Seryotkin, Y.V.; Bakakin, V.V.
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature
Physics and Chemistry of Minerals, 2011, 38, 679-684
1550267 CIFC11 H16 Br2 Cu2 N4P n n 217.5605; 9.4899; 9.611
90; 90; 90		1601.6Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing
Copper(i)-polymers and their photoluminescence thermochromism properties.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486
1550270 CIFC11 H16 Br2 Cu2 N4P n n 217.6696; 9.5533; 9.5747
90; 90; 90		1616.24Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing
Copper(i)-polymers and their photoluminescence thermochromism properties.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 477-486
1553042 CIFC92 H98 N8P n n 215.865; 16.43; 14.961
90; 90; 90		3899.8Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko
Chiroptical sensing of oligonucleotides with a cyclic octapyrrole
Organic Chemistry Frontiers, 2015, 2, 29
1557148 CIFC11 H24 Cu I2 N4P n n 213.678; 13.359; 9.219
90; 90; 90		1684.5Springborg, Johan; Sotofte, Inger
Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia
Acta Chemica Scandinavica, 1997, 51, 357-366
1557978 CIFD4 Mg10 O18 Si3P n n 213.9696; 5.09285; 8.70686
90; 90; 90		619.45Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J.
The determination of hydrogen positions in superhydrous phase B
American Mineralogist, 2013, 98, 1688-1692
1557979 CIFD4 Mg10 O18 Si3P n n 213.9882; 5.10006; 8.71628
90; 90; 90		621.825Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J.
The determination of hydrogen positions in superhydrous phase B
American Mineralogist, 2013, 98, 1688-1692
1566344 CIFH4 O10 Si2 Zn4P n n 28.1577; 10.642; 5.0473
90; 90; 90		438.2Okamoto, K.; Kuribayashi, T.; Nagase, T.
Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.01 GPa
Journal of Mineralogical and Petrological Sciences, 2021, 116, 251-262
1566345 CIFH4 O10 Si2 Zn4P n n 28.0987; 10.549; 5.0288
90; 90; 90		429.63Okamoto, K.; Kuribayashi, T.; Nagase, T.
Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.72 GPa
Journal of Mineralogical and Petrological Sciences, 2021, 116, 251-262
2000800 CIF
Paper		C14 H11 Fe N2 O10P n n 28.86; 11.007; 16.316
90; 90; 90		1591.2Cousson, A.; Nectoux, F.; Rizkalla, E. N.
Structure of bis(dipicolinato)ferrate(III) dihydrate
Acta Crystallographica Section C, 1992, 48, 1354-1357
2003642 CIF
Paper		Nb5 O17 Sr5P n n 232.456; 5.674; 3.995
90; 90; 90		735.7Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.
A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~
Acta Crystallographica Section C, 1995, 51, 1243-1246
2013836 CIF
HKL
Paper		C18 H16 N2 O5 PdP n n 217.219; 18.875; 5.268
90; 90; 90		1712.1Muranishi, Yasunori; Okabe, Nobuo
(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate
Acta Crystallographica Section C, 2004, 60, m47-m50
2108424 CIF
HKL		C38 H37 Co I2 N9 OP n n 211.355; 12.68; 13.4516
90; 90; 90		1936.8Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108425 CIF
HKL		C38 H37 Co N11 O7P n n 211.3655; 12.5153; 13.6247
90; 90; 90		1938.01Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2200460 CIF
HKL
Paper		C15 H16 O4P n n 221.698; 7.339; 8.638
90; 90; 90		1375.5Arrieta, Antonio F.; Arvid Mostad
Ethyl 2-<i>trans</i>-cinnamoylacetoacetate
Acta Crystallographica Section E, 2001, 57, o669-o671
2204579 CIF
Paper		B5 Br O9 Pb2P n n 211.4935; 11.4717; 6.5297
90; 90; 90		860.9Yakubovich, Olga V.; Mochenova, Natalya N.; Dimitrova, Olga. V.; Massa, Werner
Reinvestigation of the Pb~2~[B~5~O~9~]Br structure based on single-crystal data
Acta Crystallographica, Section E, 2004, 60, i127-i130
2213381 CIF
HKL
Paper		C17 H18 N2 O4P n n 26.285; 26.91; 4.78
90; 90; 90		808.4Jin-Gui Duan; Chen-Ming Dong; Jun-Yan Shi; Lei Wu; Wen-Kui Dong
2,2'-[(Propane-1,3-diyldioxy)bis(nitrilomethylidyne)]diphenol
Acta Crystallographica Section E, 2007, 63, o2704-o2705
2224008 CIF
HKL
Paper		C2 H4 N6 OP n n 210.232; 12.054; 4.208
90; 90; 90		519He, Chun-Lin; Du, Zhi-Ming; Tang, Zheng-Qiang; Cong, Xiao-Min; Meng, Ling-Qiao
<i>N</i>-(5-Amino-1<i>H</i>-tetrazol-1-yl)formamide
Acta Crystallographica Section E, 2009, 65, o2901
2232058 CIF
HKL
Paper		C54 H45 Cl2 N P2 SnP n n 217.9119; 9.7744; 13.3835
90; 90; 90		2343.16De Lorentiis, Lucio; Graiff, Claudia; Predieri, Giovanni
Bis(triphenylphosphanylidene)iminium dichloridotriphenylstannate(IV)
Acta Crystallographica Section E, 2011, 67, m1356
2235695 CIF
HKL
Paper		C11 H12 Cl I N4P n n 212.6323; 19.8608; 5.1267
90; 90; 90		1286.23Zaghary, Wafaa A.; Geffken, Detlef; Ng, Seik Weng
6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride
Acta Crystallographica Section E, 2012, 68, o2235
2238511 CIF
HKL
Paper		C38 H34 Co N8 O2 S2P n n 222.3698; 22.4296; 15.3707
90; 90; 90		7712.2Wöhlert, Susanne; Jess, Inke; Näther, Christian
Poly[[bis[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate dihydrate]
Acta Crystallographica Section E, 2013, 69, m482
4000760 CIFC86 H50 Cu9 N40 O22P n n 213.464; 29.985; 19.717
90; 90; 90		7960Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul
Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks
Chemistry of Materials, 2011, 23, 2908
4003661 CIFC6 H21 Bi Cl6 F3 N3P n n 211.962; 20.4349; 8.0383
90; 90; 90		1964.9Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6
Chemistry of Materials, 2020
4004010 CIFC12 H10 Co N4 O4P n n 212.2; 6.783; 10.707
90; 90; 90		886Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop
A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity
Chemistry of Materials, 2021
4021427 CIFC43 H53 O6P n n 218.6014; 19.2511; 10.3718
90; 90; 90		3714.1Man Shing Wong; Ping Fang Xia; Pik Kwan Lo; Xiao Hua Sun; Wai Yeung Wong; Shaomin Shuang
Synthesis of Oligophenylene-Substituted Calix[4]crown-4s and Their Silver(I) Ion-Induced Nanocones Formation
Journal of Organic Chemistry, 2006, 71, 940-946
4023491 CIFC12 H20 N8 O4P n n 211.238; 16.985; 4.1132
90; 90; 90		785.1Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar
Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State
Journal of Organic Chemistry, 2008, 73, 4671-4675
4025329 CIFC18 H12 N4P n n 217.463; 18.85; 3.9169
90; 90; 90		1289.4Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek
Intramolecular Direct C-H Arylation Approach to Fused Purines. Synthesis of Purino[8,9-f]phenanthridines and 5,6-Dihydropurino[8,9-a]isoquinolines
Journal of Organic Chemistry, 2010, 75, 2302-2308
4026876 CIFC13 H18 N4 O6P n n 210.0897; 10.5987; 6.5148
90; 90; 90		696.68Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day
Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family
Journal of Organic Chemistry, 2012, 77, 606-611
4034229 CIFC34 H33.5 F3 N2 O3.25 SP n n 26.9454; 19.9965; 10.6578
90; 90; 90		1480.19Funabiki, Kazumasa; Saito, Yuki; Kikuchi, Takashi; Yagi, Kazutaka; Kubota, Yasuhiro; Inuzuka, Toshiyasu; Miwa, Yohei; Yoshida, Michiyuki; Sakurada, Osamu; Kutsumizu, Shoichi
Aromatic Fluorine-Induced One-Pot Synthesis of Ring-Perfluorinated Trimethine Cyanine Dye and Its Remarkable Fluorescence Properties.
The Journal of organic chemistry, 2019, 84, 4372-4380
4071285 CIFC74 H94 Cl4 N4 O8 Pd3P n n 213.101; 29.389; 10.898
90; 90; 90		4196Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.
From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis
Organometallics, 2008, 27, 2337

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