Crystallography Open Database

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2241929 CIF
HKL
Paper
C20 H30 Cd2 N4 O9C 1 2/c 120.777; 8.2374; 15.002
90; 102.583; 90
2505.9Geiger, David K.; Parsons, Dylan E.; Pagano, Bracco A.
Two cadmium coordination polymers with bridging acetate and phenylenediamine ligands that exhibit two-dimensional layered structures
Acta Crystallographica Section E, 2016, 72, 1718-1723
2241930 CIF
HKL
Paper
C30 H18 N2 O5 SP 1 21/n 112.1347; 12.0708; 17.6391
90; 108.617; 90
2448.5Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole
Acta Crystallographica Section E, 2016, 72, 1739-1743
2241931 CIF
HKL
Paper
C27 H18 N2 O4 S2P 1 21/n 112.5052; 11.2594; 17.0731
90; 102.914; 90
2343.1Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole
Acta Crystallographica Section E, 2016, 72, 1739-1743
2241932 CIF
HKL
Paper
C37 H32 N6 O12 S2P -18.8764; 13.406; 15.2678
80.466; 85.4332; 78.4602
1753.48Horstman, Elizabeth M.; Bertke, Jeffery A.; Woods, Toby J.; Kenis, Paul J. A.
Crystal structure of a 2:1 piroxicam‒gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules
Acta Crystallographica Section E, 2016, 72, 1714-1717
2241933 CIF
HKL
Paper
C14 H31 K O10P 1 21/c 111.683; 8.594; 20.083
90; 100.59; 90
1982.1Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.
Crystal structures of two solvates of (18-crown-6)potassium acetate
Acta Crystallographica Section E, 2016, 72, 1757-1761
2241934 CIF
HKL
C16 H33 K O11P 1 21/c 111.3233; 8.545; 23.3869
90; 99.053; 90
2234.67Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.
Crystal structures of two solvates of (18-crown-6)potassium acetate
Acta Crystallographica Section E, 2016, 72, 1757-1761
2241935 CIF
HKL
Paper
C9 H8 Br NP 1 21/m 14.0382; 8.9362; 12.1015
90; 93.763; 90
435.76Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain
Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4
Acta Crystallographica Section E, 2016, 72, 1762-1767
2241936 CIF
HKL
Paper
C8 H8 Br N O2P -14.0502; 9.3817; 12.1823
93.498; 99.284; 101.722
445.2Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain
Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4
Acta Crystallographica Section E, 2016, 72, 1762-1767
2241937 CIF
HKL
Paper
C8 H10 Br NP 1 21/n 110.48314; 6.10173; 26.6195
90; 100.073; 90
1676.48Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain
Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4
Acta Crystallographica Section E, 2016, 72, 1762-1767
2241938 CIF
HKL
Paper
C8 H9 Br OP b c a14.65213; 17.952; 24.0079
90; 90; 90
6314.92Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain
Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4
Acta Crystallographica Section E, 2016, 72, 1762-1767
2241939 CIF
HKL
C36 H42 N2 O6P -17.406; 9.042; 11.719
80.42; 81.03; 87.66
764.3Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(<i>n</i>-pentyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(<i>n</i>-hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1)
Acta Crystallographica Section E, 2016, 72, 1771-1775
2241940 CIF
HKL
C38 H46 N2 O6P -19.107; 12.02; 16.672
81.584; 88.416; 67.905
1672Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(<i>n</i>-pentyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(<i>n</i>-hexyloxy)benzoic acid‒(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene (2/1)
Acta Crystallographica Section E, 2016, 72, 1771-1775
2241941 CIF
HKL
C40 H30 Ir N3P 1 21/c 119.8293; 8.6464; 18.1551
90; 106.715; 90
2981.21Lee, Chi-Heon; Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin
Crystal structure of <i>fac</i>-[2-(4-methyl-5-phenylpyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)
Acta Crystallographica Section E, 2016, 72, 1768-1770
2241942 CIF
HKL
Paper
C27 H32 Cl N5 O3P -110.5572; 11.0764; 11.4408
104.622; 97.327; 90.695
1282.57Hu, Xiu-Rong; Ye, Jia-Li; Gu, Jian-Ming
Crystal structure of vilazodone hydrochloride methanol monosolvate
Acta Crystallographica Section E, 2016, 72, 1783-1785
2241943 CIF
HKL
Paper
C60.8 H63.2 N4 Ni4 O12.8P 1 21/c 122.581; 13.7701; 18.5242
90; 92.125; 90
5756Pavlović, Gordana; Majer, Mihael; Cindrić, Marina
A tetranuclear cubane-like nickel(II) complex with a tridentate salicylideneimine Schiff base ligand: tetrakis[μ~3~-4-methyl-<i>N</i>-(2-oxidophenyl)salicylideneiminato]tetrakis[methanolnickel(II)] methanol 0.8-solvate
Acta Crystallographica Section E, 2016, 72, 1776-1779
2241944 CIF
HKL
Paper
C4 H8 Cu N2 O8P 1 21/c 14.8564; 13.5188; 6.7205
90; 96.992; 90
437.94Dickie, Diane A.; Kemp, Richard A.
Crystal structure of <i>catena</i>-poly[diammonium [di-μ-oxalato-cuprate(II)]]
Acta Crystallographica Section E, 2016, 72, 1780-1782
2241945 CIF
HKL
C24 H16 N2 O4P 1 21/n 16.15; 4.7475; 31.002
90; 90.461; 90
905.14Im, Hansu; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min
Crystal structure of <i>N</i>,<i>N</i>'-dibenzylpyromellitic diimide
Acta Crystallographica Section E, 2016, 72, 1809-1811
2241946 CIF
HKL
Paper
C12 H36 I4 Mn O6 S6R -3 :H11.8702; 11.8702; 19.386
90; 90; 120
2365.6Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom
Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide
Acta Crystallographica Section E, 2016, 72, 1791-1793
2241947 CIF
HKL
Paper
C7 H11 F N O4 PP b c n7.163; 9.1309; 29.694
90; 90; 90
1942.1Rayes, Ali; Dadi, Ahlem; Mahbouli Rhouma, Najla; Mezzadri, Francesco; Calestani, Gianluca
Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC~6~H~4~CH~2~NH~3~]H~2~PO~4~
Acta Crystallographica Section E, 2016, 72, 1812-1815
2241948 CIF
HKL
Paper
C42 H41 Cl3 Cu N O2 P2 S2P -110.7271; 13.5412; 15.9361
67.747; 87.126; 72.826
2041.92Tan, Sang Loon; Yeo, Chien Ing; Heard, Peter J.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Tiekink, Edward R. T.
[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
Acta Crystallographica Section E, 2016, 72, 1799-1805
2241949 CIF
HKL
Paper
Ca Fe Mn Na2 O12 P3C 1 2/c 112.283; 12.736; 6.494
90; 114.76; 90
922.5Jebli, Semeh; Badri, Abdessalem; Ben Amara, Mongi
Synthesis and crystal structure of a new alluaudite-like iron phosphate Na~2~CaMnFe(PO~4~)~3~
Acta Crystallographica Section E, 2016, 72, 1806-1808
2241950 CIF
HKL
C8 H7 Cs N2 O7 P2P 1 21/c 17.8819; 24.5497; 7.3137
90; 98.739; 90
1398.76Mendes, Ricardo F.; Venkatramaiah, Nutalapati; Tomé, João P. C.; Almeida Paz, Filipe A.
Crystal structure of a compact three-dimensional metal‒organic framework based on Cs^+^ and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid)
Acta Crystallographica Section E, 2016, 72, 1794-1798
2241951 CIF
HKL
Paper
C26 H38 Ag2 N4P b c a11.7112; 15.9238; 14.8703
90; 90; 90
2773.1Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.
Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate
Acta Crystallographica Section E, 2016, 72, 1786-1790
2241952 CIF
HKL
C87 H132 Ag2 Li2 N8 O2P -110.588; 14.562; 14.983
99.871; 102.825; 106.538
2090.17Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.
Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate
Acta Crystallographica Section E, 2016, 72, 1786-1790
2241953 CIF
HKL
Paper
C18 H26 Co N4 O2 S2P -17.7027; 7.8688; 9.197
87.403; 81.419; 76.295
535.48Suckert, Stefan; Jess, Inke; Näther, Christian
Crystal structure of bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Acta Crystallographica Section E, 2016, 72, 1824-1826
2241954 CIF
HKL
Paper
C16 H25 N3 O6 S2P 1 21 111.419; 5.6731; 15.226
90; 95.53; 90
981.8Toure, Assane; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Oliver, Allen G.
Crystal structure of diethylammonium aniline-4-sulfonate anilinium-4-sulfonate
Acta Crystallographica Section E, 2016, 72, 1830-1832
2241955 CIF
HKL
Paper
C27 H20 O3P 1 21/c 118.5975; 12.9604; 16.89
90; 96.365; 90
4045.92Siqingaowa; Tsumuki, Takehiro; Ogata, Kazuki; Yonezawa, Noriyuki; Okamoto, Akiko
1-[(Anthracen-9-yl)carbonyl]-2,7-dimethoxynaphthalene: a chain-like structure composed of face-to-face type dimeric molecular aggregates
Acta Crystallographica Section E, 2016, 72, 1819-1823
2241956 CIF
HKL
C7 H13 N3 O3 SP c a 218.3367; 10.7752; 24.1016
90; 90; 90
2165.04Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho
Crystal structure of oxamyl
Acta Crystallographica Section E, 2016, 72, 1816-1818
2241957 CIF
HKL
Paper
C36 H40 Cd N6 O8P -17.5125; 8.6671; 15.3079
86.198; 76.249; 74.73
933.97Akduran, Nurcan; Sertçelik, Mustafa; Aydoğdu, Ömer; Necefoğlu, Hacali; Hökelek, Tuncer
Crystal structure of <i>trans</i>-diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)cadmium
Acta Crystallographica Section E, 2016, 72, 1827-1829
2241958 CIF
HKL
C28 H38 F3 O3 S Si TiP -18.9431; 12.3682; 13.886
66.795; 85.501; 86.367
1406.44Kessler, Monty; Godemann, Christian; Spannenberg, Anke; Beweries, Torsten
Crystal structures of two <i>ansa</i>-titanocene trifluoromethanesulfonate complexes bearing the Me~2~Si(C~5~Me~4~)~2~ ligand
Acta Crystallographica Section E, 2016, 72, 1833-1835
2241959 CIF
HKL
C21 H30 Cl F3 O3 S Si TiP 1 21/n 110.0958; 15.8656; 14.5544
90; 91.9841; 90
2329.87Kessler, Monty; Godemann, Christian; Spannenberg, Anke; Beweries, Torsten
Crystal structures of two <i>ansa</i>-titanocene trifluoromethanesulfonate complexes bearing the Me~2~Si(C~5~Me~4~)~2~ ligand
Acta Crystallographica Section E, 2016, 72, 1833-1835
2241960 CIF
HKL
C7 H5 Cl2 F N2 O3P -17.1116; 7.6131; 8.9414
86.927; 80.354; 72.587
455.38Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho
Crystal structure of fluroxypyr
Acta Crystallographica Section E, 2016, 72, 1836-1838
2241961 CIF
HKL
Paper
C32 H28 N6 O12 S4P -17.3861; 8.5629; 15.1619
75.839; 79.196; 70.1
868.55Tantardini, Christian; Arkhipov, Sergey G.; Cherkashina, Ksenya A.; Kil'met'ev, Alexander S.; Boldyreva, Elena V.
Crystal structure of a 2:1 co-crystal of meloxicam with acetylendicarboxylic acid
Acta Crystallographica Section E, 2016, 72, 1856-1859
2241962 CIF
HKL
Paper
C28 H27 Cu I N3P 1 21/c 114.689; 8.0775; 21.861
90; 103.942; 90
2517.4Al-Najjar, Nada; Solan, Gregory A.; Singh, Kuldip
Crystal structure of (acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)
Acta Crystallographica Section E, 2016, 72, 1845-1847
2241963 CIF
HKL
Paper
C23 H14 N4 O7P 1 21/c 120.7156; 6.366; 16.0288
90; 105.183; 90
2040.02Köysal, Yavuz; Bülbül, Hakan; İlhan, İlhan Özer; Akın, Nazenin; Dege, Necmi
Crystal structure and computational studies of (3<i>Z</i>)-4-benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3<i>H</i>)-one
Acta Crystallographica Section E, 2016, 72, 1852-1855
2241964 CIF
HKL
Paper
C70 H126 Cl6 Fe6 N8 O35 S13P -111.4286; 12.7227; 20.1915
94.005; 105.839; 103.952
2712Chygorin, Eduard; Smal, Yuri; Omelchenko, Irina V.
Crystal structure of bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate
Acta Crystallographica Section E, 2016, 72, 1848-1851
2241965 CIF
HKL
Paper
Ag4 F8 H30 N10 SnP 1 21/c 17.3274; 19.4495; 7.8579
90; 113.205; 90
1029.27Kraus, Florian; Fichtl, Matthias; Baer, Sebastian
Crystal structure of [Ag(NH~3~)~3~]~2~[Ag(NH~3~)~2~]~2~[SnF~6~]F~2~, a compound showing argentophilic interactions
Acta Crystallographica Section E, 2016, 72, 1860-1863
2241966 CIF
HKL
Paper
C14 H18 O8P 1 21 19.5538; 8.3655; 19.1395
90; 96.837; 90
1518.8Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten
Crystal structures of three bicyclic carbohydrate derivatives
Acta Crystallographica Section E, 2016, 72, 1839-1844
2241967 CIF
HKL
Paper
C11 H15 N O6P 1 21 18.991; 9.6231; 14.4915
90; 101.742; 90
1227.59Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten
Crystal structures of three bicyclic carbohydrate derivatives
Acta Crystallographica Section E, 2016, 72, 1839-1844
2241968 CIF
HKL
Paper
C14 H19 N O8P 1 21 17.0784; 6.1454; 18.5176
90; 100.476; 90
792.08Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten
Crystal structures of three bicyclic carbohydrate derivatives
Acta Crystallographica Section E, 2016, 72, 1839-1844
2241970 CIF
HKL
Paper
C6 H16 Cr N2 O4P b c a9.91; 8.373; 22.999
90; 90; 90
1908.4Moon, Dohyun; Choi, Jong-Ha
Crystal structure of <i>trans</i>-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data
Acta Crystallographica Section E, 2016, 72, 1872-1874
2241971 CIF
HKL
Paper
C5 H4 Cl N O SeP 1 21/c 13.9601; 7.5102; 22.35
90; 94.32; 90
662.8Askerov, Rizvan K.; Matsulevich, Zhanna V.; Borisova, Galina N.; Zalepkina, Svetlana A.; Smirnov, Vasiliy F.; Grishina, Maria M.; Dorovatovskii, Pavel V.; Borisov, Alexander V.; Khrustalev, Victor N.
The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se···O interaction
Acta Crystallographica Section E, 2016, 72, 1864-1866
2241972 CIF
HKL
Paper
C16 H10 Br Cl2 N OP 1 21/n 110.2155; 11.3645; 13.5252
90; 101.141; 90
1540.6Zhang, Ting-ting; Wang, Bing; Lu, Qing; Zhao, Jun-fang; Lei, Hong; Fang, Qi
Synthesis and structure of 1-(2-bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole
Acta Crystallographica Section E, 2016, 72, 1867-1871
2311093 CIFHf Na2 O7 Si2P -16.6123; 8.7948; 5.41074
92.603; 94.0843; 71.3262
297.249Massoni, Nicolas; Pierrick, Chevreux
Crystal structure of Na~2~HfSi~2~O~7~ by Rietveld refinement
Acta Crystallographica, Section e, 2016, 72, 1434
9017352 CIFAs0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09P 1 21/m 17.6492; 6.1262; 8.9241
90; 112.195; 90
387.202Lafuente, B.; Downs, R. T.
Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)
Acta Crystallographica, Section E, 2016, 72, 293-296
9017353 CIFAl0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06C 1 2 19.036; 6.1683; 11.9601
90; 91.433; 90
666.409Fendrich, K. V.; Downs, R. T.; Origlieri, M. J.
Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O
Acta Crystallographica, Section E, 2016, 72, 959-963
9017354 CIFCa0.968 H4 O8 V1.885P -16.2059; 7.0635; 7.7516
93.166; 96.548; 105.883
323.359Kobsch, A.; Downs, R. T.; Domanik, K. J.
Redetermination of metarossite, CaV5+2O6*2H2O
Acta Crystallographica, Section E, 2016, 72, 1280-1284

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