Crystallography Open Database

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7717478 CIFC102 H84 Ag2 B2 F8 Fe3 P6P -112.8144; 13.4377; 14.5283
75.994; 82.191; 72.494		2309.54Kakavand, Meysam; Kozakiewicz, Anna; Neshat, Abdollah
Stable homogeneous silver(I) catalysts for the highly efficient cycloaddition of azides onto terminal alkynes in water
Dalton Transactions, 2024
7717479 CIFC28 H29 Co N15 O11P -110.8428; 12.8667; 13.2049
71.4184; 72.7316; 81.3449		1664.3Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L.; Quirós-Díez, Eugenia P.; Vázquez, M. Eugenio; Vázquez López, Miguel; Giménez López, María del Carmen
Single-ion magnetism in novel Btp-based cobalt complexes of different charge
Dalton Transactions, 2024
7717480 CIFC26 H27 Cl Co N14 O15P -110.8758; 15.7999; 22.4832
102.685; 100.768; 106.576		3481.5Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L.; Quirós-Díez, Eugenia P.; Vázquez, M. Eugenio; Vázquez López, Miguel; Giménez López, María del Carmen
Single-ion magnetism in novel Btp-based cobalt complexes of different charge
Dalton Transactions, 2024
7717481 CIFC44 H62 Cl2 Co N14 O18P -112.4084; 15.0996; 17.2362
70.526; 76.111; 70.281		2836.36Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L.; Quirós-Díez, Eugenia P.; Vázquez, M. Eugenio; Vázquez López, Miguel; Giménez López, María del Carmen
Single-ion magnetism in novel Btp-based cobalt complexes of different charge
Dalton Transactions, 2024
7717482 CIFC35 H50 Dy2 N4 O18P 1 21/n 110.2755; 26.0316; 16.4282
90; 105.852; 90		4227.23Yang, Yue; Wang, Yu-Xia; Lei, Yu-Zhe; Cheng, Peng
Asymmetric triply bridged lanthanide binuclear clusters with distinctly different magnetic behaviors
Dalton Transactions, 2024
7717483 CIFC35 H50 Gd2 N4 O18P 1 21/n 110.3156; 26.0237; 16.4697
90; 105.754; 90		4255.21Yang, Yue; Wang, Yu-Xia; Lei, Yu-Zhe; Cheng, Peng
Asymmetric triply bridged lanthanide binuclear clusters with distinctly different magnetic behaviors
Dalton Transactions, 2024
7717484 CIFC71 H88 N4 P4P 1 21/n 114.268; 23.3514; 18.7576
90; 96.391; 90		6210.8Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Dalton Transactions, 2024
7717485 CIFC18 H34 Cl3 N2 P RuP -17.4357; 11.5604; 13.4708
94.14; 94.656; 98.498		1137.28Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Dalton Transactions, 2024
7717486 CIFC42 H60 N4 P4C 1 2/c 117.1259; 10.8384; 23.062
90; 106.613; 90		4102Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Dalton Transactions, 2024
7717487 CIFC30 H74 Li2 N4 O2 P4 Si2C 1 2/c 119.666; 9.8948; 23.2825
90; 104.656; 90		4383.2Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Dalton Transactions, 2024
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, 2024
7717489 CIFC40 H46 Cl3 P Ru2P -110.1085; 14.1466; 14.9037
66.843; 72.498; 83.439		1868.8Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Dalton Transactions, 2024
7717490 CIFC45 H46 Cl3 P Ru2P -116.3325; 16.6265; 16.9118
74.161; 78.653; 87.765		4331.2Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz
Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes
Dalton Transactions, 2024
7717491 CIFC18 H20.5 Cl3 N PP -19.434; 9.825; 22.843
78.484; 81.149; 67.19		1905.6Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.
Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications
Dalton Transactions, 2024
7717492 CIFC30 H24 Cl N P2P 1 21/n 116.6188; 8.6367; 18.7451
90; 111.367; 90		2505.6Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.
Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications
Dalton Transactions, 2024
7717493 CIFC31 H26 B2 Cl6 F6 P2P 1 21/n 19.0219; 35.5977; 11.0777
90; 99.014; 90		3513.8Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.
Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications
Dalton Transactions, 2024
7717494 CIFC75 H27 B2 F40 N P2C 1 2/c 115.5651; 21.2162; 23.6425
90; 101.146; 90		7660.2Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.
Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications
Dalton Transactions, 2024
7717495 CIFC2 N2 O2 PbP n m a8.5689; 3.941; 11.66
90; 90; 90		393.76Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank
Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]
Dalton Transactions, 2024
7717496 CIFC2 N2 Pb S2C 1 2/c 19.6128; 6.5306; 8.1913
90; 92.734; 90		513.64Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank
Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]
Dalton Transactions, 2024
7717497 CIFC H N O Pb SeP n m a8.6244; 4.1674; 11.5412
90; 90; 90		414.81Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank
Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]
Dalton Transactions, 2024
7717498 CIFC2 N2 Pb Se2P n m a12.479; 4.2277; 10.6523
90; 90; 90		561.99Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank
Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]
Dalton Transactions, 2024
7717499 CIFC25 H38 Cl3 N3 O3 P2 PdP 1 21/n 18.1646; 28.713; 13.7242
90; 95.542; 90		3202.3Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David
Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species
Dalton Transactions, 2024
7717500 CIFC25 H38 Cl3 N3 Ni O3 P2P 1 21/n 18.0717; 28.421; 13.667
90; 94.878; 90		3123.9Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David
Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species
Dalton Transactions, 2024
7717501 CIFC47 H76 Cl3 N3 Ni0.52 O6 P4 Pd1.48P -112.4109; 14.2844; 20.6999
70.055; 85.498; 68.175		3197.4Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David
Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species
Dalton Transactions, 2024
7717502 CIFC43 H41 F12 N3 Ni O3 P2 S3P -115.954; 18.038; 18.358
106.251; 109.017; 92.856		4737Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David
Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species
Dalton Transactions, 2024
7717503 CIFC58 H55.2 Cl F6 N2 O3.6 P5 Ru SP 1 2/c 117.715; 11.4825; 28.1918
90; 99.3892; 90		5657.74da Silva, Nádija Natalice Paixão; Palmeira-Mello, Marcos V.; Oliveira Acésio, Nathália; Moraes, Carlos André F; Honorato, João; Castellano, Eduardo; Tavares, Denise Crispim; de Oliveira, Katia Mara Mara; Batista, Alzir A.
Ru(II)-Diphosphine/N,S-Mercapto Complexes and Their Anti-melanoma Properties
Dalton Transactions, 2024
7717504 CIFC28 H23 F6 N6 O2 P Ru SC 1 2/c 121.8405; 13.02075; 21.5213
90; 108.664; 90		5798.38da Silva, Nádija Natalice Paixão; Palmeira-Mello, Marcos V.; Oliveira Acésio, Nathália; Moraes, Carlos André F; Honorato, João; Castellano, Eduardo; Tavares, Denise Crispim; de Oliveira, Katia Mara Mara; Batista, Alzir A.
Ru(II)-Diphosphine/N,S-Mercapto Complexes and Their Anti-melanoma Properties
Dalton Transactions, 2024
7717505 CIFC63 H61 F6 N2 O3 P5 Ru SP 1 n 115.2901; 11.7639; 16.7665
90; 94.0784; 90		3008.17da Silva, Nádija Natalice Paixão; Palmeira-Mello, Marcos V.; Oliveira Acésio, Nathália; Moraes, Carlos André F; Honorato, João; Castellano, Eduardo; Tavares, Denise Crispim; de Oliveira, Katia Mara Mara; Batista, Alzir A.
Ru(II)-Diphosphine/N,S-Mercapto Complexes and Their Anti-melanoma Properties
Dalton Transactions, 2024
7717506 CIFC12 H8 B F N2 O2P 1 21/c 16.982; 21.445; 7.808
90; 114.861; 90		1060.7Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes
Dalton Transactions, 2024
7717507 CIFC12 H6 B F3 N2 O2C 1 2/c 121.821; 6.154; 18.764
90; 120.182; 90		2178Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes
Dalton Transactions, 2024
7717508 CIFC12 H6 B Br2 F N2 O2P -16.975; 7.306; 14.302
95.261; 97.928; 115.739		640.8Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes
Dalton Transactions, 2024
7717509 CIFC12 H6 B Cl2 F N2 O2P -17.084; 7.205; 13.827
96.26; 97.76; 116.43		614.7Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes
Dalton Transactions, 2024
7717510 CIFC48 H52 B F4 N4 O8 RhI 1 2 120.5437; 10.4027; 30.6083
90; 106.71; 90		6265.1Bakija, Marija; Opačak, Saša; Peric, Berislav; Chakrabortty, Soumyadeep; Dell'Acqua, Andrea; Barath, Eszter; de Vries, Johannes G.; Tin, Sergey; Kirin, Srećko I.
Supramolecular bidentate rhodium(I) or iridium(I) phosphine and oxazoline amino acid bioconjugates as selective catalysts for enantioselective reactions
Dalton Transactions, 2024
7717511 CIFC60 H86 N20 Ni3 O8I 1 2 111.4069; 11.1844; 27.0255
90; 91.711; 90		3446.36Si, Si; Song, Wenxun; Chen, Jie; Zhang, Weimin; Ji, Wenhua; Nam, Wonwoo; Wang, Bin
Neutral nickel complexes with tetradentate N-heterocyclic carbene amidate ligands for electrocatalytic hydrogen evolution
Dalton Transactions, 2024
7717512 CIFC24 H30 Cl2 N8 Ni O4P 1 21/c 115.0789; 10.4388; 17.925
90; 99.317; 90		2784.27Si, Si; Song, Wenxun; Chen, Jie; Zhang, Weimin; Ji, Wenhua; Nam, Wonwoo; Wang, Bin
Neutral nickel complexes with tetradentate N-heterocyclic carbene amidate ligands for electrocatalytic hydrogen evolution
Dalton Transactions, 2024
7717513 CIFC12 H16 N10 O6 S4P 1 21/c 110.8555; 20.056; 10.9976
90; 117.798; 90		2118.06Kumar, Parasar; Ghule, Vikas; Dharavath, Srinivas
Advancing Energetic Chemistry: First Synthesis of Sulfur-Based C-C Bonded Thiadiazole-Pyrazine Compounds with Nitrimino Moiety
Dalton Transactions, 2024
7717516 CIFC9 H9 Cl2 N3 O SP -16.2672; 7.9274; 12.4219
82.624; 78.692; 76.836		587AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay
Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes
Dalton Transactions, 2024
7717517 CIFC13 H18 Cl2 N4 Ni O3 SP 1 21/c 112.3415; 10.19; 15.4159
90; 110.924; 90		1810.9AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay
Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes
Dalton Transactions, 2024
7717518 CIFC13 H18 Br2 N4 Ni O3 SP 1 21/c 112.69; 10.2688; 15.4499
90; 111.571; 90		1872.3AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay
Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes
Dalton Transactions, 2024
7717528 CIFC35 H22 Cu2 N4 O11I m -3 m36.13; 36.13; 36.13
90; 90; 90		47163Dong, Wenyu; Wang, Zhaoxu; Zuxian, Cai; Yiqiang, Deng; Wang, Guanyu; Zheng, Baishu
Highly efficient CO2 capture and chemical fixation of a microporous (3, 36)-connected txt-type Cu(II)-MOF with multifunctional sites
Dalton Transactions, 2024
7717533 CIFC24 H8 Cu F12 N4C 1 2/c 124.929; 4.2898; 22.535
90; 116.829; 90		2150.5Li, Wenzi; Peng, Xinyang; Qin, Haonan; Xu, Yuhan; Han, Jinxiu; Lei, Haitao; Cao, Rui
Electrocatalytic hydrogen evolution reaction with a Cu porphyrin bearing meso-CF3 substituents
Dalton Transactions, 2024
7717534 CIFC24 H72 Ge2 N4 S2 Si8P 1 21/c 19.0563; 41.16; 12.51
90; 106.559; 90		4469.8Stacil, Thad; Fortney, Vanessa; Murphy, Julia; Gembicky, Milan; Rheingold, Arnold; Weinert, Charles
Desulfurization of Isothiocyanates by a Divalent Germanium Amide
Dalton Transactions, 2024
7717535 CIFC16 H22 N6 S2P 1 21/c 19.7076; 11.1525; 8.4121
90; 94.131; 90		908.4Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, M. K.; Acharya, Arbind; Bharty, Manoj Kumar
Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of N-(2-pyridyl)thiourea
Dalton Transactions, 2024
7717536 CIFC16 H20 Cl2 N6 Pd2 S2P 1 21/c 110.304; 11.1576; 19.3304
90; 101.071; 90		2181.02Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, M. K.; Acharya, Arbind; Bharty, Manoj Kumar
Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of N-(2-pyridyl)thiourea
Dalton Transactions, 2024
7717537 CIFC16 H20 N6 Pd S2P 1 21 18.8167; 7.8205; 13.4444
90; 96.092; 90		921.77Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, M. K.; Acharya, Arbind; Bharty, Manoj Kumar
Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of N-(2-pyridyl)thiourea
Dalton Transactions, 2024
9009746 CIFMg2 O7 V2P 1 21/c 16.599; 8.406; 9.472
90; 100.608; 90		516.443Nielsen, U. G.; Jakobsen, H. J.; Skibsted, J.; Norby, P.
Crystal structure of alpha-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy Note: z-coordinate of V1 changed as directed by the author, Aug 2005.
Dalton Transactions, 2001, 2001, 3214-3218
9009747 CIFO3 Sb2F d -3 m :211.116; 11.116; 11.116
90; 90; 90		1373.55Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.
Charge density analysis of two polymorphs of antimony(III) oxide
Dalton Transactions, 2004, 2004, 23-29
9009748 CIFO3 Sb2P c c n4.8996; 12.449; 5.4103
90; 90; 90		330.002Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.
Charge density analysis of two polymorphs of antimony(III) oxide
Dalton Transactions, 2004, 2004, 23-29
9012101 CIFAs SC 1 2/c 19.957; 9.335; 8.889
90; 102.48; 90		806.698Porter, E. J.; Sheldrick, G. M.
Crystal structure of a new crystalline modification of tetra-arsenic tetrasuphide (2,3,4,8-tetrathia1,2,3,7-tetra-arsatricyclo[3,3,0,0]-octane)
Dalton Transactions, 1972, 1972, 1347-1349
9012102 CIFAs4 S5P 1 21/m 17.98; 8.1; 7.14
90; 101; 90		453.036Whitfield, H. J.
Crystal and molecular structure of tetraarsenic pentasulphide
Dalton Transactions, 1973, 1973, 1740-1742
9012103 CIFC4 H8 Cu O5C 1 2/c 113.168; 8.564; 13.858
90; 117.02; 90		1392.2Meester, P.; Fletcher, S. R.; Skapski, A. C.
Refined crystal structure of tetra-mu-acetato-bisaquodicopper (II)
Dalton Transactions, 1973, 1973, 2575-2578
9012104 CIFSe8P 1 21/c 115.018; 14.713; 8.789
90; 93.61; 90		1938.16Foss, O.; Janickis, V.
Crystal structure of gamma-monoclinic selenium Note: structure known as gamma phase Note: gamma-monoclinic selenium is allotrope of cyclo-octaselenium
Dalton Transactions, 1980, 1980, 624-627
9012105 CIFH In O5 P RbP 43 21 29.4; 9.4; 11.179
90; 90; 90		987.776Lii, K. H.
RbIn(OH)PO4: an indium(III) phosphate containing spirals of corner-sharing InO6 octahedra
Dalton Transactions, 1996, 1996, 815-818
9017441 CIFFe H Li O5 PP -15.3528; 7.2896; 5.1187
109.359; 97.733; 106.359		174.984Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C.
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization
Dalton Transactions, 2010, 39, 5108-5116

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