Crystallography Open Database

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1565983 CIF
HKL
Paper
Al61.49 Mn11.35 Ni4C m c m7.6135; 23.9582; 12.4828
90; 90; 90
2276.93Hu, Qifa; Wen, Bin; Fan, Changzeng
The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system
IUCrData, 2022, 7, x220038
1565984 CIF
HKL
Paper
C14 H12 Br2 O2 SP b c a16.53; 12.81; 13.46
90; 90; 90
2850Corfield, Peter W. R.
[Sulfonylbis(bromomethylene)]dibenzene
IUCrData, 2022, 7, x211351
1565985 CIF
HKL
Paper
C22 H26 Cu N8 O4P -16.3657; 8.1428; 12.1896
72.595; 89.376; 87.805
602.47Liu, Lin; Han, Zheng-Bo
Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)
IUCrData, 2022, 7, x220046
1566189 CIF
HKL
Paper
C12 H26 Cl N O11P 1 21 14.785; 13.523; 13.254
90; 93.94; 90
855.6Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.
β-<small>D</small>-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-<small>D</small>-glucopyranose hydrochloride monohydrate (lactosamine)
IUCrData, 2022, 7, x220061
1566249 CIF
HKL
C16 H26.4 Ag2 K2 N2 O13.2 S4P 1 21/c 113.386; 6.0085; 17.843
90; 108.657; 90
1359.7Pacifico, Jessica; Stoeckli-Evans, Helen
Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]
IUCrData, 2022, 7
1566307 CIF
HKL
Paper
C8 H11 N O3P 1 21/c 19.915; 7.2523; 11.9573
90; 98.558; 90
850.23Moussa Slimane, Nabila; Benarous, Nesrine; Bougueria, Hassiba; Cherouana, Aouatef
2-Hydroxybenzenaminium acetate
IUCrData, 2022, 7, x220112
1566374 CIF
HKL
Paper
C28 H16 Cl4 Ni S4P -19.5487; 11.4141; 15.0254
107.486; 94.791; 111.423
1419.16Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P.
Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II)
IUCrData, 2022, 7, x220148
1566375 CIF
HKL
Paper
C42 H24C 1 2/c 136.615; 8.0709; 36.282
90; 90.863; 90
10720.7Schollmeyer, Dieter; Detert, Heiner
13,13'-Bi(dibenzo[<i>a</i>,<i>i</i>]fluorenylidene)
IUCrData, 2022, 7, x220169
1566403 CIF
HKL
Paper
C14 H18 N6 O5 SP 1 21/c 112.1115; 10.6282; 17.4772
90; 127.723; 90
1779.48Peña Hueso, Adrian; Esparza Ruiz, Adriana; Flores Parra, Angelina
Bis(2-aminobenzimidazolium) sulfate monohydrate
IUCrData, 2022, 7, x220172
1566424 CIF
HKL
Paper
C23 H19 N O5P 1 21/n 19.7089; 14.351; 14.2749
90; 106.946; 90
1902.6Surya Prakash Rao, H.; M, Prabakaran; Muthukumaran, Jayaraman
Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate
IUCrData, 2022, 7, x220199
1566425 CIF
HKL
Paper
C10 H13 Cl N3 O3 PP 1 21/c 111.5857; 7.0616; 16.6118
90; 108.222; 90
1290.92Chachlaki, Elpiniki; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.
5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride
IUCrData, 2022, 7, x220189
1566560 CIF
HKL
Paper
C6 H13 Cl6 N3 O2 SnP -17.4224; 7.4518; 8.4986
105.726; 97.426; 112.383
403.85Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine
4-Amidinopyridinium hexachloridostannate(IV) dihydrate
IUCrData, 2022, 7, x220195
1566561 CIF
HKL
Paper
C10 H14 Cl10 N4 O2 SnP -17.4624; 8.4715; 10.1324
101.434; 90.043; 107.554
597.34Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine
Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate
IUCrData, 2022, 7
1566594 CIF
HKL
Paper
C15 H26 I N3 O6P 1 21 110.816; 7.0106; 13.169
90; 106.833; 90
955.8Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan
1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate
IUCrData, 2022, 7, x220265
1566595 CIF
HKL
Paper
C77 H83 Cl4 K Mn N6 O8 SP b c a19.5585; 24.7224; 29.8538
90; 90; 90
14435.3Yuan, Yiwen; Li, Jianfeng
([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate
IUCrData, 2022, 7, x220241
1566596 CIF
HKL
Paper
C17 H15 B F4 N2P 1 21/n 111.426; 9.0735; 15.5434
90; 102.118; 90
1575.54Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W.
1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate
IUCrData, 2022, 7, x220248
1566718 CIF
HKL
Paper
C21 H18 N2 OC 1 2/c 130.3989; 8.7177; 14.0581
90; 115.367; 90
3366.3Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R.
(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one
IUCrData, 2022, 7, x220283
1566728 CIF
HKL
Paper
C15 H14 Cl N5 O2P 1 21 17.1533; 11.936; 9.004
90; 98.128; 90
761.1Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen
4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one
IUCrData, 2022, 7, x220342
1566729 CIF
HKL
Paper
C16 H9 N O2 SP 1 21/c 14.60717; 20.7275; 12.6444
90; 91.911; 90
1206.81Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.
3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one
IUCrData, 2022, 7, x220332
1566768 CIF
HKL
Paper
C36 H48 N4 O14P -16.0921; 8.5778; 18.726
94.922; 90.428; 98.945
962.88Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Bis(oxotremorine) fumarate bis(fumaric acid)
IUCrData, 2022, 7
1566790 CIF
HKL
Paper
C26 H13 F8 I4 N3P -19.1574; 12.0339; 14.0667
91.989; 96.924; 102.996
1496.35Bosch, Eric; Bowling, Nathan P.
5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2)
IUCrData, 2022, 7, x220380
1566848 CIF
HKL
Paper
C15 H11 N O3 SP 1 21/c 112.6886; 9.2655; 11.6024
90; 105.374; 90
1315.24Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A.
1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde
IUCrData, 2022, 7, x220401
1566849 CIF
HKL
Paper
C50 H38 Mn N5 O3P c c n20.1021; 21.5505; 17.9807
90; 90; 90
7789.4Cao, Hongli; Wang, Junwen; Li, Jianfeng
Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)
IUCrData, 2022, 7, x220386
1566903 CIF
HKL
Paper
C32 H29 Br N2 O10 S3P 1 21 116.99261; 6.02635; 17.4076
90; 107.831; 90
1696.97Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G.
4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]thiophene
IUCrData, 2022, 7, x220412
1566904 CIF
HKL
Paper
C16 H20 Cl2 N2 O4P 1 21/c 119.1257; 9.3864; 10.0502
90; 103.546; 90
1754.04Obidova, Nodira; Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Bakhtiyar
2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate
IUCrData, 2022, 7, x220441
1567009 CIF
HKL
Paper
C21 H18 Br2 N4F d d 218.0776; 48.2301; 4.5424
90; 90; 90
3960.45Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W.
1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide
IUCrData, 2022, 7, x220526
1567010 CIF
HKL
Paper
C25 H26 Br2 N4 O2P n m a15.4863; 22.2936; 7.21
90; 90; 90
2489.22Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W.
1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate
IUCrData, 2022, 7, x220525
1567011 CIF
HKL
Paper
C19 H21 I O6 SP 1 21/c 16.1823; 24.9509; 12.7606
90; 100.257; 90
1936.92Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole
(Phenyliodosyl)benzene tosylate dihydrate
IUCrData, 2022, 7, x220522
1567082 CIF
HKL
Paper
C17 H20 N2 O4C 1 2/c 123.0488; 8.1149; 18.3223
90; 104.454; 90
3318.5Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed
Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate
IUCrData, 2022, 7
1567083 CIF
HKL
Paper
C7 H7 Br2 NP 21 21 214.3773; 13.585; 14.057
90; 90; 90
835.9Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali
2,6-Dibromo-4-methylaniline
IUCrData, 2022, 7, x220577
1567144 CIF
HKL
Paper
C32 H72 Cl12 I2 Nb6 O12P b c a19.3389; 18.1968; 34.039
90; 90; 90
11978.5Schröder, Florian; Köckerling, Martin
Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate
IUCrData, 2022, 7, x220618
1567182 CIF
HKL
Paper
C20 H70 N28 O34 V10P -18.9701; 13.2202; 14.0861
99.609; 103.133; 107.676
1499Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain
Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate
IUCrData, 2022, 7, x220627
1567183 CIF
HKL
Paper
C8 H4 N4 Te2P -17.6531; 11.7862; 16.8371
81.35; 85.884; 80.44
1478.9Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas
[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine
IUCrData, 2022, 7, x220622
1567378 CIF
HKL
Paper
Cu61.39 S32P 1 21/n 126.85; 15.6862; 13.5175
90; 90.062; 90
5693.2Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng
Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites
IUCrData, 2022, 7
1567379 CIF
HKL
Paper
C21 H19 N5 O3P b c a8.8585; 18.0405; 23.1961
90; 90; 90
3707Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef
Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate
IUCrData, 2022, 7
1567380 CIF
HKL
Paper
C33 H58 B Cl2 F4 Ir N3 PC 1 2/c 135.832; 10.2608; 22.034
90; 118.095; 90
7146.6Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward
[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate
IUCrData, 2022, 7, x220685
1567381 CIF
HKL
Se0.27 Sn Te0.73F m -3 m6.1595; 6.1595; 6.1595
90; 90; 90
233.69Moris, Silvana; Galdámez, Antonio
Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data
IUCrData, 2022, 7, x220729
1567405 CIF
HKL
Paper
C9 H10 N4 OP 1 21/c 114.4362; 21.3403; 9.2949
90; 98.356; 90
2833.11Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
2-Azido-<i>N</i>-(4-methylphenyl)acetamide
IUCrData, 2022, 7, x220621
1567501 CIF
HKL
Paper
C24 H27 I N2 O SP -18.478; 10.5773; 14.5191
95.81; 105.762; 110.651
1144.1Shank, Nathaniel; Stadler, Andrea L.; Barrett, Sean P.; Padgett, Clifford W.
1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate
IUCrData, 2022, 7, x220797
1567532 CIF
HKL
Paper
C34 H24 F10 Ir N4 O2 PP b c n41.574; 8.6065; 18.2384
90; 90; 90
6525.8Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.
Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate
IUCrData, 2022, 7, x220830
1567533 CIF
HKL
Paper
C14 H10 Cl4 Fe2 Ga2 O4P 1 21/c 18.3567; 7.0331; 16.5792
90; 91.218; 90
974.2Harakas, George N.; Demmin, Mary Elizabeth
Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe{—</i>Ga})
IUCrData, 2022, 7, x220832
1567534 CIF
Paper
C41 H50 N2 O4P -16.0155; 16.5935; 19.2093
101.541; 97.341; 92.928
1857.47Prapakaran, Tulasi; Murugavel, Ramaswamy
4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]
IUCrData, 2022, 7, x220793
1567606 CIF
HKL
Paper
C25 H20 F7 N3 O2P 1 21/n 112.1592; 18.926; 20.3097
90; 91.474; 90
4672.2Shimazaki, Runa; Sadakiyo, Masaaki
Ethidium heptafluorobutyrate
IUCrData, 2022, 7, x220884
1567607 CIF
HKL
Paper
C4 H6 Cl N3 O2P 1 21/c 16.3498; 9.8991; 11.5969
90; 105.817; 90
701.35Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C.
1-Methyl-5-nitroimidazolium chloride
IUCrData, 2022, 7, x220878
1567638 CIF
HKL
Paper
C21 H18 O4P -18.3312; 9.6506; 11.797
94.261; 107.335; 112.326
818.4Sung, Jiha
3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
IUCrData, 2022, 7, x220885
1567639 CIF
HKL
Paper
C20 H14 I2 N2 O2P b c a7.4776; 19.104; 26.0919
90; 90; 90
3727.28Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.
2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)
IUCrData, 2022, 7, x220895
1567651 CIF
HKL
Paper
C10 H13 N O2P -18.405; 11.029; 11.52
89.1; 77.06; 87.17
1039.5Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Divakara, Thayamma R.; Foro, Sabine; Butcher, Ray J.
Isopropyl 4-aminobenzoate
IUCrData, 2022, 7, x220904
1567691 CIF
Paper
C20 H16 N2 O6P 1 21/c 119.0804; 4.6758; 10.1189
90; 101.169; 90
885.67Martínez-de la Luz, Isabel; López-Velázquez, Delia; Bernès, Sylvain; Varela Caselis, Jenaro L.
Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate
IUCrData, 2022, 7, x220919
1567692 CIF
Paper
C18 H16 N2 O2P 1 21/c 18.2745; 7.9167; 23.0663
90; 93.225; 90
1508.61Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.
3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde
IUCrData, 2022, 7, x220924
1567693 CIF
Paper
C20 H12 N2 O2 SP -18.1891; 8.2417; 12.813
81.632; 81.394; 66.649
781.5Okuno, Tsunehisa; Doi, Ikue
10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine
IUCrData, 2022, 7, x220942

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