Crystallography Open Database

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1569461 CIFFe Na7 Ni3 O28 P8P -16.3677; 9.3316; 10.8478
65.191; 80.533; 73.042
559El Arni, Sirine; Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Marssi, Mimoun; Lahmar, Abdelilah; El Ammari, Lahcen
Structural and Magnetic Investigations of the Novel Pyrophosphate Na7Ni3Fe(P2O7)4
Magnetochemistry, 2023, 9, 162
1570704 CIF
Paper
C9 H10 O TeP 21 21 213.6947; 23.467; 5.2287
90; 90; 90
1680.4Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas
5,6-Dimethylbenzo[d][1,3]oxatellurole
IUCrData, 2024, 9, x231076
1570705 CIF
Paper
C5 H10 O3P b c a10.9589; 9.328; 12.7255
90; 90; 90
1300.86Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard
rac-Hydroxyisovaleric acid
IUCrData, 2024, 9, x231093
1570750 CIFC13 H21 N3 SP -17.9583; 11.2703; 16.008
83.0428; 86.9392; 76.5236
1385.51Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg
N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
IUCrData, 2024, 9, x240013
1570778 CIF
Paper
C14 H12 Cl2 N2 O2 ZnC 1 2/c 114.7877; 9.9287; 9.523
90; 95.233; 90
1392.36Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.
Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)
IUCrData, 2024, 9, x240037
1570779 CIF
Paper
C18 H26 Cl2 N2 PdP 21 21 216.5385; 16.7263; 19.0096
90; 90; 90
2078.98Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin
trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)
IUCrData, 2024, 9, x240036
1570809 CIF
Paper
C28 H30 Mn N8 O20P 1 21/n 17.0419; 19.2513; 12.7175
90; 100.513; 90
1695.12Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.
Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate
IUCrData, 2024, 9, x240040
1570810 CIF
Paper
C52 H52 Fe N3 O S4P -112.4019; 14.8205; 14.9762
105.936; 113.662; 94.486
2368.2Selvakumar, Jayaraman; Arumugam, Kuppuswamy
Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate
IUCrData, 2023, 9, x231083
1570811 CIF
Paper
C Ni2 Ti4F d -3 m :211.3235; 11.3235; 11.3235
90; 90; 90
1451.92Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng
Crystal structure of Ti4Ni2C
IUCrData, 2024, 9, x240043
1570858 CIF
Paper
C44 H36 F6 N10 Ni O7 S2P 1 21 112.1089; 13.3568; 14.0513
90; 98.955; 90
2244.9Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.
Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate
IUCrData, 2024, 9, x240088
1570967 CIF
Paper
C28 H24 F6 N6 O8 Ru S2P 1 21/c 19.7878; 26.2103; 12.6443
90; 97.202; 90
3218.19Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.
Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)
IUCrData, 2024, 9, x240114
1570968 CIF
Paper
C24 H20 F6 N4 O8 Pd S2P 1 21/c 114.434; 13.9644; 14.2126
90; 102.536; 90
2796.43Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.
(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)
IUCrData, 2024, 9, x240109
1570997 CIF
Paper
C30 H25 N OF d d 227.8745; 83.475; 7.5368
90; 90; 90
17536.8Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang
1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]
IUCrData, 2024, 9, x240137
1571038 CIF
Paper
C30 H30 N6 O10 Zn2P -18.3549; 9.3366; 12.3971
69.409; 75.524; 65.217
815.89Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.
Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]
IUCrData, 2024, 9, x240122
1571068 CIF
Paper
C14 H12 O4P c a 2113.7387; 20.547; 8.4283
90; 90; 90
2379.2Moodley, Cresten; Muller, Alfred; Belay, Yonas H.
Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate
IUCrData, 2024, 9, x240163
1571164 CIF
Paper
C6 H17 Br3 N2 OP 32 2 19.5838; 9.5838; 23.227
90; 90; 120
1847.56Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej
Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.
IUCrJ, 2022, 9, 544-550
1571165 CIFC6 H17 Br3 N2 OP 3 c 116.0425; 16.0425; 7.9666
90; 90; 120
1775.61Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej
Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.
IUCrJ, 2022, 9, 544-550
1571166 CIF
Paper
C13 H10 F N O2P -19.955; 10.006; 11.332
89.415; 78.013; 78.901
1082.99Li, Jingxi; Long, Sihui
4-Fluoro-2-(phenylamino)benzoic acid
IUCrData, 2024, 9, x240197
1571167 CIF
Paper
Nd0.67 O4 WI 41/a :25.3048; 5.3048; 11.4999
90; 90; 90
323.62Knies, Benjamin; Hartenbach, Ingo
Crystal structure of defect scheelite-type Nd2/3[WO4]
IUCrData, 2024, 9, x240175
1571168 CIF
Paper
C16 H17 Br O2 SP 1 21/c 19.1051; 10.665; 16.688
90; 102.16; 90
1584.1Corfield, Peter W. R.
erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene
IUCrData, 2024, 9, x240189
1571169 CIF
Paper
C26 H50 N4 Ni S4P 1 21/c 111.5962; 18.4606; 7.8973
90; 106.532; 90
1620.71Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)
IUCrData, 2024, 9, x240186
1571170 CIF
Paper
C13 H10 Br N O2P 1 21/n 115.2054; 3.8818; 19.8109
90; 107.039; 90
1118Kang, Liping; Long, Sihui
5-Bromo-2-(phenylamino)benzoic acid
IUCrData, 2024, 9, x240198
1571171 CIF
Paper
C18 H32 Cl2 N4 O2 Ru S2P 1 21/n 18.3125; 18.9072; 15.7906
90; 90.617; 90
2481.6Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.
cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)
IUCrData, 2024, 9, x240191
1571244 CIF
Paper
C26 H18 Br NP b c a8.489; 16.4; 27.936
90; 90; 90
3889.2Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria
10-Bromo-N,N-diphenylanthracen-9-amine
IUCrData, 2024, 9, x240207
1571265 CIF
Paper
C16 H21 N O3 SiP -16.7236; 7.2935; 16.1649
77.57; 80.354; 89.412
762.9Böhme, Uwe; Fels, Sabine
{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)
IUCrData, 2024, 9, x240228
1571266 CIF
Paper
C28 H36 Ag2 N6 O6P 1 21/n 110.3048; 24.114; 12.6416
90; 100.911; 90
3084.52Crundwell, Guy; Leeds, Ashley
Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]
IUCrData, 2024, 9, x240247
1571267 CIF
Paper
C12 H15 N O5P 21 21 216.2497; 13.8633; 14.6254
90; 90; 90
1267.17Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain
Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate
IUCrData, 2024, 9, x240222
1571268 CIF
Paper
C16 H24 Br2 Mn N8P -17.6288; 8.753; 9.3794
90.707; 106.138; 114.285
542.62Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan
trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)
IUCrData, 2024, 9, x240237
1571269 CIF
Paper
C16 H12 F N3 O S2P -16.7949; 6.9491; 16.708
89.525; 82.547; 82.347
775.26Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate
IUCrData, 2024, 9, x240235
1571270 CIF
Paper
C29 H31 Fe2 N O S2P 21 21 217.5425; 17.6838; 18.892
90; 90; 90
2519.8Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.
2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane
IUCrData, 2024, 9, x240234
1571312 CIF
Paper
C50 H56 F12 N10 O3 P2 RuP c a 2126.718; 9.8834; 20.648
90; 90; 90
5452.4Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.
Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate
IUCrData, 2024, 9, x240269
1571470 CIF
Paper
C29 H29 N3 O3C 1 2/c 122.0407; 12.4642; 18.0706
90; 107.495; 90
4734.7Shimazaki, Runa; Sadakiyo, Masaaki
Ethidium benzoate methanol monosolvate
IUCrData, 2024, 9, x240302
1571493 CIF
Paper
C26.33 H28.65 N8 Ni O S2P 1 21/n 110.056; 21.3696; 12.5648
90; 100.161; 90
2657.7Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti
mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate
IUCrData, 2024, 9, x240339
1571494 CIF
Paper
C17 H17 B I N3P -17.08; 10.6304; 11.065
89.715; 79.711; 89.598
819.37Hashimoto, Shu; Okuno, Tsunehisa
4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide
IUCrData, 2024, 9, x240362
1571495 CIF
Paper
C21 H25 Br2 N3 Pd SC 1 2 125.8993; 6.6206; 13.4938
90; 96.425; 90
2299.23Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru
(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide
IUCrData, 2024, 9, x240360
1571496 CIF
Paper
C6 H12 N O9 P3 Zn2P -18.8428; 9.2779; 9.9343
79.126; 82.732; 67.279
736.99Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.
Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]
IUCrData, 2024, 9, x240345
1571497 CIF
Paper
C15 H22 OC 1 2/c 125.6112; 9.7565; 10.3664
90; 95.169; 90
2579.78Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan
Redetermination of germacrone type II based on single-crystal X-ray data
IUCrData, 2024, 9, x240346
1571498 CIF
Paper
C22 H24 N2 O2P 1 21/n 115.862; 6.0503; 19.064
90; 105.287; 90
1764.8Minagawa, Tomohiro; Sadakiyo, Masaaki
(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]
IUCrData, 2024, 9, x240358
1571499 CIF
Paper
C22 H11 N3 O3 SF d d 26.7497; 52.478; 18.832
90; 90; 90
6670.5Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad
13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine
IUCrData, 2024, 9, x240299
1571500 CIF
Paper
C17 H19 B I N3 OP 1 21/c 16.746; 23.041; 10.939
90; 97.616; 90
1685.3Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa
4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate
IUCrData, 2024, 9, x240369
1571501 CIF
Paper
C32 H26 Ag Cl N6 O6 S4P 1 21 18.3455; 19.2331; 11.0134
90; 102.491; 90
1725.92Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.
Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate
IUCrData, 2024, 9, x240344
1571515 CIF
Paper
C22 H12 N2 S2P 1 21/c 111.7365; 3.8149; 35.726
90; 97.669; 90
1585.27Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.
Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine
IUCrData, 2024, 9, x240357
1571673 CIF
Paper
C14 H22 Cl2 Cu N6 O6P -14.6536; 8.2542; 13.682
78.092; 82.801; 85.469
509.42Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain
trans-Dichloridobis(secnidazole-κN 3)copper(II)
IUCrData, 2024, 9, x240376
1571674 CIF
Paper
C8 H7 I O3P 1 21/c 14.3286; 21.334; 9.2941
90; 93.744; 90
856.4Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.
Methyl 2-hydroxy-4-iodobenzoate
IUCrData, 2024, 9, x240394
1571679 CIF
Paper
C14 H26 Cl F N6 O6 ZnP 1 21/c 19.8065; 12.5029; 16.1592
90; 95.599; 90
1971.82Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa
(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate
IUCrData, 2024, 9, x240431
1571706 CIF
Paper
C8 H18 Cl Cu N O5P 1 21/n 17.2605; 10.4221; 14.668
90; 94.366; 90
1106.7Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain
Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)
IUCrData, 2024, 9, x240439
1571764 CIF
Paper
C15 H16 O4P n a 2110.6769; 17.9611; 7.0266
90; 90; 90
1347.48Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye
2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate
IUCrData, 2024, 9, x240494
1571765 CIF
Paper
C26 H18 Br NP 1 21/c 113.0619; 7.6891; 20.475
90; 106.809; 90
1968.5Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria
2-(10-Bromoanthracen-9-yl)-N-phenylaniline
IUCrData, 2024, 9, x240475
1571766 CIFFe0.6666 Na2 O6 Te1.3333R -3 :H5.2598; 5.2598; 15.778
90; 90; 120
378.03Eder, Felix; Weil, Matthias
Ilmenite-type Na2(Fe2/3Te4/3)O6
IUCrData, 2024, 9, x240482
1571767 CIF
Paper
C6 H11 N O6 SP 1 21 14.8838; 18.3867; 5.1522
90; 110.325; 90
433.85Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.
(S)-2-Carboxyethyl L-cysteinyl sulfone
IUCrData, 2024, 9, x240480

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