Crystallography Open Database

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7715434 CIFC13 B F13 O3 SP b c n33.0522; 11.2332; 8.4733
90; 90; 90		3146Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.
Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7273-7281
7715785 CIFC34 H28 F2 Fe N12 O2P b c n12.7752; 10.7048; 24.3576
90; 90; 90		3331Seredyuk, Maksym; Znovjyak, Kateryna; Valverde-Muñoz, Francisco Javier; Muñoz, M Carmen; Fritsky, Igor O.; Real, José Antonio
Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8041-8049
7715786 CIFC34 H28 F2 Fe N12 O2P b c n13.05; 10.401; 25.06
90; 90; 90		3401Seredyuk, Maksym; Znovjyak, Kateryna; Valverde-Muñoz, Francisco Javier; Muñoz, M Carmen; Fritsky, Igor O.; Real, José Antonio
Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8041-8049
7715923 CIFC38 H22 Cl6 F6 N2 O6 Pd2 S2P b c n24.4713; 11.0368; 15.9675
90; 90; 90		4312.6Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.
Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8948-8957
7715925 CIFC38 H20 Cl6 F8 N2 O6 Pd2 S2P b c n22.7038; 11.4463; 16.6779
90; 90; 90		4334.2Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.
Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8948-8957
7715941 CIFC26 H16 N6 Ni O2 S2P b c n18.7879; 8.8858; 13.675
90; 90; 90		2282.98Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghenadie; Avarvari, Narcis
Six-coordinated nickel(II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8835-8842
7716041 CIFC14 H10 Br2P b c n13.8322; 11.7938; 15.1516
90; 90; 90		2471.7Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François
Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of "photoswitchable" catalysts for olefin polymerization.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9452-9466
7716168 CIFC17 H13 Cl N2 O Pd SP b c n19.0594; 10.4533; 16.3019
90; 90; 90		3247.89Tanwar, Deepika; Kaur, Tashmeen; Sudheendranath, Athul; Kumar, Umesh; Sharma, Deepika
Pd(II) complexes bearing NNS pincer ligands: unveiling potent cytotoxicity against breast and pancreatic cancer.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9798-9811
7716184 CIFC264 H312 N16 Zn4P b c n20.6268; 16.0836; 18.5709
90; 90; 90		6161Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando
Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10050-10054
7716208 CIFC30 H25 Cl2 Fe N15 O8 S5P b c n14.9806; 15.561; 17.7708
90; 90; 90		4142.6Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael
Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10511-10520
7716210 CIFC30 H25 Cl2 Fe N15 O8 S5P b c n15.02; 15.627; 17.7918
90; 90; 90		4176Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael
Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10511-10520
7716377 CIFC16 H32 N2 S2 ZnP b c n7.9497; 11.5685; 22.2132
90; 90; 90		2042.86Robson, Max E.; Johnson, Andrew L.
Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11380-11392
7716657 CIFC32 H39 Co2 F3 N4 O2P b c n30.7337; 12.0988; 17.2692
90; 90; 90		6421.39Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.
Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13174-13183
7716715 CIFC24 H34 B2 Br2 F8 N8 O2 ZnP b c n22.9095; 12.4317; 12.1295
90; 90; 90		3454.5Savić, Milica; Pevec, Andrej; Stevanović, Nevena; Novaković, Irena; Matić, Ivana Z; Petrović, Nina; Stanojković, Tatjana; Milčić, Karla; Zlatar, Matija; Turel, Iztok; Čobeljić, Božidar; Milčić, Miloš; Gruden, Maja
Synergy of experimental and computational chemistry: structure and biological activity of Zn(II) hydrazone complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13436-13453
7716837 CIFC5 H6 Bi I4 N2P b c n12.2049; 14.8651; 7.6069
90; 90; 90		1380.1Abdi, Gisya; Mazur, Tomasz; Kowalewska, Ewelina; Sławek, Andrzej; Marzec, Mateusz; Szaciłowski, Konrad
Memristive properties and synaptic plasticity in substituted pyridinium iodobismuthates.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14610-14622
7716846 CIFC42 H34 Mn N12 O4 Zn2P b c n24.306; 8.269; 21.095
90; 90; 90		4240Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz
Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer
Dalton Transactions, 2024, 53, 15246-15257
7716848 CIFC41.49 H34 Cl0.51 Mn N11.49 O4 Zn2P b c n24.344; 8.2169; 21.057
90; 90; 90		4212.1Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz
Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer
Dalton Transactions, 2024, 53, 15246-15257
7717094 CIFC21 H22 Cl F3 N3 O5 Rh SP b c n15.898; 22.527; 13.676
90; 90; 90		4897.8Stiel, Jonah P.; Henke, Wade C.; Moore, William N. G.; Barker, Nathaniel M.; Oliver, Allen G.; Day, Victor W.; Blakemore, James D.
Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2'-bipyridyl ligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 16956-16965
7717206 CIFC54 H48 Cu4 N14 O17P b c n19.498; 17.355; 33.032
90; 90; 90		11178Paliwal, Kumudini; Swain, Abinash; Mishra, Durga Prasad; Sudhadevi Antharjanam, P. K.; Kumar, Manjuri
A novel copper(II) complex with a salicylidene carbohydrazide ligand that promotes oxidative stress and apoptosis in triple negative breast cancer cells.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 17702-17720
7717254 CIFC12 H48 N3 O40 V7P b c n21.2465; 9.7088; 22.0761
90; 90; 90		4553.8Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui
Iso- and hetero-polyoxovanadium glycolates [VIV6O<sub>6</sub>(glyc)<sub>6</sub>M<sup>III</sup>(OH)<sub>6</sub>]<sup>3-</sup> (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18711-18719
7717300 CIFC29 H48 Be N O3 PP b c n61.1639; 15.5496; 18.6563
90; 90; 90		17743.5Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger
Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18296-18303
7717349 CIFC10 H32 B18 Co N3P b c n21.3386; 10.7908; 20.246
90; 90; 90		4661.86Tüzün, Ece Zeynep; Hnyk, Drahomír; Bavol, Dmytro; Litecká, Miroslava; Fanfrlík, Jindřich; Grűner, Bohumír
Modification of cobalt bis(dicarbollide) ions with nitrile groups on carbon atoms: a unique low-temperature skeletal rearrangement due to the specific electron-donor character of CN substitution.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18462-18466
7717488 CIFC33 H36 P2P b c n9.8631; 20.3925; 28.0508
90; 90; 90		5641.9Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 19107-19111
7717881 CIFF4 Mn O3 P Rb2P b c n11.1063; 8.7689; 7.4281
90; 90; 90		723.42Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng
Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 3486-3499
7717917 CIFC54 H64 N4 TiP b c n27.3853; 9.3969; 35.9247
90; 90; 90		9244.8Eilers, Marcel; Bültena, Saskia; Schwitalla, Kevin; Schmidtmann, Marc; Beckhaus, Rüdiger
Synthesis, characterization and functionalization of titanium κ<sup>1</sup><i>N</i> amidinato complexes from carbodiimides.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 1972-1979
7718637 CIFC13 H18 Fe N O4 PP b c n20.8819; 10.0111; 16.0053
90; 90; 90		3345.92Kirk, Ryan M.; Hill, Anthony F.
Pnictogen-functionalised isocyanide ligands.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 8881-8887
7718776 CIFC98 H78 Ag4 N16 PdP b c n23.946; 19.482; 18.327
90; 90; 90		8549.8Kinoshita, Kana; Yang, Yiming; Nagano, Shiho; Horiuchi, Shinnosuke; Nakao, Yoshihide; Omoto, Kenichiro; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke
Heteropolynuclear PdAg<sub>4</sub> complexes with self-assembled <i>trans</i>-chelating {(Ar<sub>2</sub>pz)<sub>3</sub>Ag<sub>2</sub>} units.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 9140-9144
7718874 CIFC47.5 H47 Cl4 N2 O2 P2 ReP b c n13.0948; 20.8238; 32.3858
90; 90; 90		8831.1Xu, Shuting; Zhang, Yu; Li, Bin; Li, Hao; Huang, Jing; Chen, Yiyu; Hu, Kun; Zhang, Fengjun; Fang, Xiaolong
Efficient hydrogenation of ketones and aldehydes catalysed by a well-defined PNNP-rhenium complex.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 10396-10402
7719119 CIFC72 H56 B Cu F4 O2 P4P b c n20.1381; 24.5142; 24.8289
90; 90; 90		12257.3Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang
Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 11725-11731
7719120 CIFC78 H64 B Cu F4 O2 P4P b c n18.3976; 18.271; 18.6164
90; 90; 90		6257.76Saha, Priya; Tomita, Ryunosuke; Tsuneda, Takao; Jiang, Pingyu; Taketsugu, Tetsuya; Jin, Mingoo; Huang, Dennis Chung-Yang
Homoleptic copper(I)-bisphosphine complexes as photoredox catalysts.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 11725-11731
7719279 CIFC34 H27 Cu N7 O2P b c n17.066; 12.7219; 13.6879
90; 90; 90		2971.8Fotopoulou, Evangelia-Spyridoula; Panagiotou, Nikos; Tasiopoulos, Anastasios J.; Turnbull, Mark M.; Perlepes, Spyros P.; Nastopoulos, Vassilios
Structural diversities and magnetic properties of azido- and dicyanamido-bridged coordination polymers with 4,5-diphenylimidazole as a terminal ligand.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14013-14024
7719492 CIFC12 H8 N6 Ni O6 S2P b c n22.6868; 7.1802; 10.1397
90; 90; 90		1651.7Robertson, Grace M.; Jaffe, Adam
Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14648-14653
7719495 CIFC12 H8 Mn N6 O6 S2P b c n22.3485; 7.1464; 10.573
90; 90; 90		1688.63Robertson, Grace M.; Jaffe, Adam
Structural and electronic tuning of hybrid metal thiocyanate <i>N</i>-oxides.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14648-14653
7719622 CIFC14 H22 Cl2 Co N2 O4P b c n12.8938; 8.0126; 16.8555
90; 90; 90		1741.4Malik, Magdalena; Bieńko, Alina; Boča, Roman; Titiš, Ján; Rajnák, Cyril; Świtlicka, Anna; Bieńko, Dariusz C; Ozerov, Mykhaylo; Ozarowski, Andrew
Effect of the counter anion to slow magnetic relaxation of hexacoordinate Co(II) complexes.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 16955-16965
7719840 CIFC18 H22 B10 F2P b c n28.892; 10.2175; 14.592
90; 90; 90		4307.6Zhuo, Qihang; Zhang, Jie; Xie, Zuowei
Nickel-catalyzed 1,2-dialkenylation of <i>o</i>-carboranes with alkenyl bromides.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 17430-17433
8000066 CIFC19.5 H25.5 N7.5 O11.5 PrP b c n34.053; 9.5678; 17.046
90; 90; 90		5553.8Miki Hasegawa; Ayumi Ishii; Tomoko Yamazaki; Shinobu Kishi; Iwao Yamazaki
Intramolecular Excited Energy Transfer from Phenanthroline Fluorophore to Pr(III) in a Metal Complex
Chemistry Letters, 2005, 34, 1418
8000528 CIFC44 H38 Br4 Mn P2P b c n11.90232; 18.92658; 18.74628
90; 90; 90		4222.98Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen
Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices
The Journal of Physical Chemistry Letters, 2021, 7394-7399
8100177 CIFC8 H16 Au Cl N4 S2P b c n11.9055; 11.7507; 10.0615
90; 90; 90		1407.6Fettouhi, Mohammed; Isab, Anvarhusein A.; Wazeer, Mohamed I. M.
Crystal structure of bis(3,4,5,6-tetrahydropyrimidine-2(1H)-thione- S)gold(I) chloride, [Au(C~4~H~8~N~2~S)~2~]Cl
Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 391-392
8100701 CIFC17 H10 F6 O2 S2P b c n12.182; 8.7063; 16.622
90; 90; 90		1763Pu, Shou-Zhi; Sun, Fan; Yuan, Peng; Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Chan, Shek-Kiu
Crystal structure of 1,2-bis(2-methyl-5-formyl-thien-3-yl) perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(CHO)~2~, a photochromic diarylethene
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 415-416
8100703 CIFC4 H8 Br4 O2 SnP b c n8.7678; 11.2927; 11.1746
90; 90; 90		1106.42Bauer, Matthew; Kouvetakis, John; Groy, Thomas L.
Crystal structure of tin tetrabromodioxane, SnBr~4~ · (C~4~H~8~O~2~), a one dimensional polymer of Sn(IV)
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 421-422
8100751 CIFC10 H12 N2 O4P b c n16.006; 5.308; 12.766
90; 90; 90		1084.6Ye, Ming-De; Hu, Mao-Lin; Yuan, Ji-Xin; Wang, Shun
Crystal structure of 2,2'-bipyridine-1,1'-dioxide dihydrate, C~10~H~8~N~2~O~2~ · 2H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 497-498
8100823 CIFH36 O42 P8 Zn4P b c n14.566; 14.844; 16.311
90; 90; 90		3526.7Mrad, Mohamed L'ahbib; Ben Slimane, Amel; Rzaigui, Mohamed
Crystal structure of hydrated tetrazinc cyclo-octaphosphate, Zn~4~ [P~8~O~24~] ·~ ~18H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 481-482
8101024 CIFC13 H23 Cu N7 O11P b c n21.006; 14.558; 6.9119
90; 90; 90		2113.7Diouf, Ousmane; Gaye, Mohamed; Sall, Abdou S.; Tamboura, Farba; Barry, Aliou H.; Jouini, Tahar
Crystal structure of diaqua-2,6-diacetylpyridine-bis(acetylhydrazone) copper(II) complex dinitrate hydrate, [Cu(C~13~H~17~N~5~O~2~)(H~2~O) ~2~](NO~3~)~2~ · H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 421-422
8101079 CIFC8 H8 O2 SeP b c n9.865; 10.491; 15.775
90; 90; 90		1633Ward, A. D.; Ward, V. A.; Tiekink, E. R. T.
Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 553-554
8101189 CIFC19 H24 Br4 Te2P b c n14.315; 8.107; 19.888
90; 90; 90		2308Dakternieks, D.; O'Connell, J.; Tiekink, E. R. T.
Crystal structure of dibromo[(1,1-dibromo-1-mesityl-l4-telluranyl) methyl]-mesityl-l4-tellurane, [MesTeBr~2~]~2~CH~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 87-88
8101295 CIFC18 H15 Cl N2 O SP b c n8.36; 15.794; 23.949
90; 90; 90		3162.2Hanoun, J.-P.; Boyer, G.; Galy, J.-P.
Crystal structure of 6-butyl-2-chlorothiazolo[5,4-a]acridin-11(6H)- one, C~18~H~15~ClN~2~OS
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 455-456
8101324 CIFC18 H12 S3P b c n16.0515; 11.5227; 8.2362
90; 90; 90		1523.3Choi, Moon-Gun; Chang, Hong-Young; Guzei, Ilia A.
Crystal structure of 1,3,5-tris(thien-2-yl)benzene, C~18~H~12~S~3~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 491-492
8101495 CIFC15 H18 Cl2 N2 SnP b c n12.305; 15.55; 18.066
90; 90; 90		3456.7Basu Baul, S. S.; Basu Baul, T. S.; Tiekink, E. R. T.
Crystal structure of dichlorodimethyl[N-(2-pyridylmethylene)-3-toluidine]tin, C15H18Cl2N2Sn
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 207-208
8101502 CIFC6 H9 K N O4.5 SP b c n23.001; 7.763; 10.424
90; 90; 90		1861.3Schreuer, Jürgen
Crystal structure of potassium sulfanilate sesquihydrate, KH2NC6H4SO3 · 1.5H2O
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 287-288
8101503 CIFC6 H9 N O4.5 Rb SP b c n23.271; 7.844; 10.635
90; 90; 90		1941.3Schreuer, Jürgen
Crystal structure of rubidium sulfanilate sesquihydrate, RbH2NC6H4SO3 · 1.5H2O
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 289-290

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