Crystallography Open Database

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7718148 CIFC19 H22 N3 O5 VP c a 2111.8119; 14.9558; 10.9912
90; 90; 90
1941.67Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Cocut, Andrea; Hrenar, Tomica; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja
Influence of ancillary ligands on the formation and functionality of oxovanadium(V) metallosupramolecular assemblies: advanced computational and catalytic analyses.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 5532-5545
7718155 CIFC19 H24 Cl2 N4 NiP c a 2115.609; 8.767; 14.6494
90; 90; 90
2004.68Leung, Joshua Ji-Nung; Bae, Dae Young; Moshood, Yusuff; Mirica, Liviu M.
C-C and C-O bond formation reactivity of nickel complexes supported by the pyridinophane <sup>Me</sup>N3C ligand.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 5286-5292
7718179 CIFC18 H16 Cl2 Co N4P c a 2112.866; 8.914; 15.975
90; 90; 90
1832.1Saini, Rahul; Kukreti, Prashant; Chauhan, Rahul; Panwar, Abhishek; Ghosh, Kaushik
A well-defined phosphine-free metal-ligand cooperative route for <i>N</i>-alkylation of aromatic amines <i>via</i> activation of renewable alcohols catalyzed by NNN pincer cobalt(II) complexes.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 5838-5848
7718267 CIFC49 H57 Bi2 Br12 N3 OP c a 2128.426; 11.954; 18.491
90; 90; 90
6283Meena, Namonarayan; Sahoo, Supriya; Deka, Nilotpal; Gadagin, Vinayak B.; Zaręba, Jan K; Boomishankar, Ramamoorthy
Ferroelectricity and piezoelectric energy harvesting of an A<sub>3</sub>M<sub>2</sub>X<sub>9</sub>-type 0D bromobismuthate hybrid with a bulky organic quaternary amine.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 2985-2990
7718268 CIFC49 H57 Bi2 Br12 N3 OP c a 2128.88; 12.092; 18.54
90; 90; 90
6474Meena, Namonarayan; Sahoo, Supriya; Deka, Nilotpal; Gadagin, Vinayak B.; Zaręba, Jan K; Boomishankar, Ramamoorthy
Ferroelectricity and piezoelectric energy harvesting of an A<sub>3</sub>M<sub>2</sub>X<sub>9</sub>-type 0D bromobismuthate hybrid with a bulky organic quaternary amine.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 2985-2990
7718348 CIFC28 H30 Cl2 Cu2 N2 O9 ZnP c a 2110.0813; 17.9676; 17.2069
90; 90; 90
3116.8Vassilyeva, Olga Yu; Nesterova, Oksana V.; Bieńko, Alina; Komarnicka, Urszula K.; Buvaylo, Elena A.; Vasylieva, Svitlana M.; Skelton, Brian W.; Nesterov, Dmytro S.
Heterometallic CuCd and Cu<sub>2</sub>Zn complexes with <i>o</i>-vanillin and its Schiff-base derivative: slow magnetic relaxation and catalytic activity associated with Cu(II) centres.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 6117-6132
7718515 CIFC9 H18 N2 O3P c a 2115.56; 9.9; 15.75
90; 90; 90
2426Ghosh, Riya; Mazumdar, Rakesh; Samanta, Bapan; Saha, Shankhadeep; Mondal, Biplab
Reaction of a non-heme iron-nitrosyl with dioxygen: decomposition of the ligand through NOD-like activity.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 7793-7800
7718541 CIFC34 H36 B N3 OP c a 2116.2727; 8.0712; 21.5149
90; 90; 90
2825.77Pattathil, Vignesh; Pranckevicius, Conor
CO and CS bond activation by an annulated 1,4,2-diazaborole.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 8169-8173
7718555 CIFC39 H34 Cu2 F9 N6 O11 S3P c a 2127.7616; 10.1552; 16.5696
90; 90; 90
4671.38Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy
A bioinspired model for copper monooxygenase: direct aromatic hydroxylation using O<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 8788-8799
7718917 CIFC48 H63 F Fe K N6 O15P c a 2115.9303; 12.0821; 26.5119
90; 90; 90
5102.8Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.
Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 10719-10724
7718926 CIFC24 H36 B10 N O5 P WP c a 2127.2064; 13.5763; 17.4248
90; 90; 90
6436.1Chan, Tek Long; Zhang, Jie; Xie, Zuowei
Carboranyl diphosphenes: synthesis, structure and reactivity.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 10946-10955
7719304 CIFC22 H36 B2 Co F6 N6 O2P c a 2117.1182; 9.0791; 16.9809
90; 90; 90
2639.1Sire, Charline; Garello, Francesca; Lalaoui, Noémie; Saffon-Merceron, Nathalie; Le Poul, Nicolas; Tripier, Raphaël; Tei, Lorenzo; Troadec, Thibault
Trifluoroborate-appended cyclen complexes of paramagnetic transition metals (Ni<sup>2+</sup>, Co<sup>2+</sup>) as fast-relaxing <sup>19</sup>F MRI probes.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 13053-13056
7719468 CIFC17 H43 Ge Mn O2 P4P c a 2112.329; 13.557; 14.982
90; 90; 90
2504.2Price, Jeffrey S.; Emslie, David J. H.
Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14821-14837
7719473 CIFC24 H57 Ge Mn N2 O2 P4P c a 2118.768; 10.268; 16.9042
90; 90; 90
3257.6Price, Jeffrey S.; Emslie, David J. H.
Manganese germylene hydride complexes: reactivity with carbon dioxide, benzophenone, and diisopropylcarbodiimide.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14821-14837
7719548 CIFC42 H50 N6 O10 V2P c a 2125.9983; 9.6789; 17.6118
90; 90; 90
4431.74Simran, Simran; Tansky, Maxym; Trabulsi, Seth; Deng, Liangzi; Chu, Ching-Wu; Ozarowski, Andrew; Comito, Robert J.
Cooperative enhancement of redox catalysis in divanadium complexes binucleated by 1,8-naphthyridine-2,7-dicarboxylate.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 15400-15405
7719952 CIFC22 H20 Cl Co N6 O6P c a 2114.935; 8.6856; 17.997
90; 90; 90
2334.6Juan, Jen-Wen; Ciou, Ji-Ming; Hsiang, Yi-Rong; Lin, Ya-Fan
Solvent-and metal-gated coordination diversity in a dynamic aminal ligand
Dalton Transactions, 2025
8000161 CIFC30 H25 N3 O3P c a 2115.8386; 8.5314; 17.3856
90; 90; 90
2349.2Wang, Xiang-Shan; Zhang, Mei-Mei; Jiang, Hong; Yao, Chang-Sheng; Tu, Shu-Jiang
Unexpected Spiro-benzoquinolines in the Reaction of N-(Arylidene)naphthalen-2-amine, Arylaldehyde, and 1,3-Dimethylbarbituric Acid in Water
Chemistry Letters, 2007, 36, 450
8000169 CIFC52 H65 Cl Ir N2 P S WP c a 2121.684; 12.9161; 17.115
90; 90; 90
4793.4Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi
Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands
Chemistry Letters, 2007, 36, 622
8000533 CIFC6 H15 N3 O6P c a 2121.5256; 9.7968; 4.7685
90; 90; 90
1005.59Guo, Mingxia; Rosbottom, Ian; Zhou, Lina; Yong, Chin W.; Zhou, Ling; Yin, Qiuxiang; Todorov, Ilian T.; Errington, Ethan; Heng, Jerry Y. Y.
Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.
The journal of physical chemistry letters, 2021, 12, 8416-8422
8100480 CIFC10 H10 O3P c a 2120.165; 5.6673; 7.5829
90; 90; 90
866.6Greatrex, B. W.; Taylor, D. K.; Tiekink, E. R. T.
Crystal structure of (±)-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl](phenyl)- methanone, C~10~H~10~O~3~
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 561-562
8101113 CIFC26 H29 Co N7 O4 PP c a 2115.1046; 11.0696; 16.5588
90; 90; 90
2768.7Vogt, Martin; Schütt, Thomas; Kemmerich, Timm; Klapötke, Thomas M.; Beck, Wolfgang
Crystal structure of trans-azido-bis(dimethylglyoximato)-triphenylphosphine- cobalt(III), C~26~H~29~CoN~7~O~4~P, at 200 K
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 637-638
8101179 CIFC5 H5 N O SP c a 2111.588; 13.724; 7.522
90; 90; 90
1196.3Joannou, John; Martin, Lisandra L.; Taylor, Max R.
Crystal structure of 2-thiophenealdoxime, C~5~H~5~NOS
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 119-120
8101278 CIFC7 H8 Cd Hg N4 O2 S4P c a 2116.4319; 7.3794; 13.4711
90; 90; 90
1633.5Zhou, Mei; Yu, Wen Tao; Xu, Dong; Guo, Shi Yi; Lu, Meng Kai; Yuan, Duo Rong
Crystal structure of cadmium mercury tetrathiocyanate (glycol monomethyl ether), C~7~H~8~CdHgN~4~O~2~S~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 425-426
8101370 CIFC19 H16 Cl N2 O SP c a 218.1248; 19.1264; 21.7702
90; 90; 90
3383.1Öztürk, S.; Aygün, M.; Öcal, N.; Yolaçan, Ç.; Fun, H.-K.
Crystal structure of 3-(p-chlorophenyl)-5-methyl-2-(8-quinolinyl)- 4-thiazolidinone, C~19~H~16~ClN~2~OS
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 526-528
8101408 CIFC18 H34 N4 O14 ZrP c a 2117.379; 9.637; 30.759
90; 90; 90
5151.6Haussuühl, Eiken; Schreuer, Juergen
Crystal structure of 1,5-diamino-2-methylpentane zirconium bis(nitrilotriacetate) dihydrate, NH~3~(CH~2~)~3~CHCH~3~CH~2~NH~3~ Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 71-73
8101716 CIFC9 H19 N O8 P2P c a 2124.348; 8.088; 7.623
90; 90; 90
1501.2Belam, W.; Khedhiri, L.; Daoud, A.
Crystal structure of 2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid, (C~9~H~14~N)H~2~PO~4~ · H~3~PO~4~
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 147-148
8102008 CIFC17 H16 N2 O2P c a 215.6406; 30.292; 16.925
90; 90; 90
2891.9Frey, W.; Shiva, S.; Jäger, V.
Crystal structure of rel-(3aR,6aS)-6-methyl-3,6a-di-phenyl-3a,4,6, 6a-tetrahydro-isoxazolo[5,4-c]isoxazole, C~17~H~16~N~2~O~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 349-351
8102086 CIFC34 H32 Ag2 N4 O12P c a 2118.712; 16.926; 24.627
90; 90; 90
7800Wang, C.-C.; Ma, H.-W.
Crystal structure of catena-(bis((1,3-bis(4-pyridyl)propane)-silver(I))) benzene-1,4-dicarboxylate octahydrate, [{Ag(C~13~H~14~N~2~)}~2~][C~8~H~4~O~4~] · 8H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 101-104
8102222 CIFC18 H24 O3P c a 2111.9945; 17.309; 7.4999
90; 90; 90
1557.1Wefelscheid, Ulrike K.; Brüdgam, Irene; Hartl, Hans; Reißig, Hans-Ulrich
Crystal structure of (8S*,9S*,13S*,14R*,17S*)-estra-1(10),2,4,6-tetraene- 14,17-diol monohydrate, C~18~H~22~O~2~ · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 467-468
8102860 CIFC12 H20 Ag2 N6 O7P c a 2120.769; 6.405; 12.187
90; 90; 90
1621.2Guang-Yi Wang; Zhen Ma; Bing Liu; Cun-Yuan Cao
Crystal structure of aqua(hexamethylenetetraamine)-(pyrazine-2,3-dicarboxylato)disilver(I) dihydrate, Ag2(H2O)(C6H2N2O4)(C6H12N4) · 2H2O
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 771
8102870 CIFC17 H17 Br N2 O2P c a 2113.1672; 14.5045; 8.9452
90; 90; 90
1708.39Gerhard Laus; Volker Kahlenberg; Herwig Schottenberger
Crystal structure of 1,3-di(benzyloxy)imidazolium bromide, [C17H17N2O2]Br
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 759
8103173 CIFC23 H20 N4 O3P c a 2119.43; 5.3621; 19.692
90; 90; 90
2051.6Wu-Lan Zeng
Crystal structure of 1-(4-ethylphenyl)-2-nicotinoyl-3-(1H-benzo[d]-1,2,3-triazol-1-yl)-1-oxopropan, C23H20N4O3
Zeitschrift für Kristallographie - New Crystal Structures, 2011, 226, 407
8103190 CIFC12 H24 B Cu F4 N5 O3P c a 2115.1807; 8.4114; 28.6983
90; 90; 90
3664.51Mei-Ye Jia; Hong-Yu Zhou; Shuang-Yan Wang; Feng-Mei Nie
Crystal structure of (tris(2-aminoethyl)amine-N,N',N'')-(nicotinate-N)copper(II) tetrafluoroborate hydrate, [Cu(C6H18N4)(C6H4NO2)][BF4] • H2O
Zeitschrift für Kristallographie - New Crystal Structures, 2011, 226, 608
8103248 CIFC7 H9 N3 O3P c a 2117.3539; 4.02431; 12.3842
90; 90; 90
864.88Gerhard Laus; Volker Kahlenberg; Wolfgang Reischl; Herwig Schottenberger
Crystal structure of (E)-2-(1-methoxyimidazol-2-yl)-2-oxoacetaldehyde O-methyl oxime, C7H9N3O3
Zeitschrift für Kristallographie - New Crystal Structures, 2011, 226, 623
8103491 CIFB7 Br Mn3 O13P c a 218.7099; 8.6861; 12.314
90; 90; 90
931.616Kubel, F.; Crottaz, O.
Crystal structure of manganese bromine boracite, Mn3 B7 O13 Br
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 924-924
8103659 CIFC H2 Na2 O4P c a 2110.743; 5.254; 6.453
90; 90; 90
364.231Harper, J.P.
Crystal structure of sodium carbonate monohydrate, Na2 C O3 H2 O
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 95, 266-273
8104092 CIFF H Hg O3 TeP c a 217.896; 6.7845; 6.8641
90; 90; 90
367.713Weil, M.
Dimorphism in mercury(II) tellurite(IV) tellurate(VI): preparation and crystal structures of alpha- and beta- (Hg2 Te2 O7)
Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 691-698
8104130 CIFCs2 N12 ZnP c a 2121.98; 6.79; 7.45
90; 90; 90
1111.87Platzer, G.F.; Krischner, H.
Die Kristallstruktur von Caesiumzinkazid Cs2 Zn (N3)4
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1975, 141, 363-374
8104817 CIFC14 H10 Br Cl N2 O2P c a 2132.4137; 4.6683; 8.8873
90; 90; 90
1344.8Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong
Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 317-318
8104882 CIFC13 H11 N OP c a 2123.801; 6.051; 7.2677
90; 90; 90
1046.7Hosten, Eric C.; Betz, Richard
Crystal structure of N,N-diphenylformamide, C13H11NO
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 57-59
8104892 CIFC6 H6 O3 SP c a 2115.3524; 5.718; 15.3395
90; 90; 90
1346.58Manana, Pholani; Hosten, Eric C.; Betz, Richard
Crystal structure of benzenesulphonic acid
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 97-99
8104933 CIFC14 H9 N O2P c a 2127.19; 4.3317; 17.297
90; 90; 90
2037.2Wang, Li-Hua; Zhou, Xiao-Jing; Liu, Li-Li; Zhang, Ai-Ling; Tai, Xi-Shi
The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 243-244
8104936 CIFC14 H14 Br N3 O3P c a 2132.932; 5.849; 7.3606
90; 90; 90
1417.8Li-Hua, Wang; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Xi-Shi, Tai
The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 251-252
8104967 CIFC30 H20 Cl2 N2 O4 S2P c a 2116.9808; 7.5227; 20.8027
90; 90; 90
2657.4Jia, Li-Mei; Luo, Peng; Pan, Wei-Gao
Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2
Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 81-83
8105230 CIFC15 H10 O3P c a 2110.2949; 11.1616; 19.2902
90; 90; 90
2216.6Mzozoyana, Vuyisa; Zamisa, Sizwe J.
Crystal structure of 7-hydroxy-4-phenyl-2H-chromen-2-one, C15H10O3
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 595-597
8105288 CIFC13 H21 N O5P c a 2119.718; 9.102; 8.091
90; 90; 90
1452.1Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian
The crystal structure of (E)-2-((2-hydroxy-4-ethoxybenzylidene)amino)-2-methylpropane-1,3-diol monohydrate, C13H21NO5
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 789-791
8105327 CIFC15 H15 N3 O2P c a 217.9831; 10.6486; 15.7222
90; 90; 90
1336.53Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.
Crystal structure of (E)-3-methoxy-N′-(1-(pyridin-2-yl)ethylidene)benzohydrazide, C15H15N3O2
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 907-909
8105375 CIFC25 H18 F3 N O3 SP c a 2119.1142; 11.6722; 9.239
90; 90; 90
2061.26Zhang, Jia-Jing; Chen, Dian-Xing; Lv, Liang-Yan; Qi, Cong-Hui; Xu, Wei-Cheng; Hou, Gui-Ge
Crystal structure and anti-inflammatory activity of (3E,5E)-3,5-bis(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)piperidin-4-one, C25H18F3NO3S
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1051-1053
8105552 CIFC23 H17 N O4P c a 2126.3525; 3.8864; 34.8871
90; 90; 90
3573.01Weng, Ai-Zhen; Quan, Hai-Yuan; Wang, Liu-Yang; She, Dong-Mei; Mei, Xiang-Dong
Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 234, 91-93
8105626 CIFC34 H34 Br N5 O2P c a 2121.36266; 11.83583; 12.09985
90; 90; 90
3059.38Xing, Ai-Ping; Zeng, Dai; Wang, Xin-Ling
Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(diethylamino)spiro[isoindoline-1,9′-xanthen]-3-one, C34H34N5O2Br
Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 309-311

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