Crystallography Open Database

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2022286 CIF
HKL
Paper
C14 H11 I N2 O SP -16.241; 7.242; 16.709
84.408; 89.142; 65.933
686.02Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022287 CIF
HKL
Paper
C14 H11 I N2 O SP 1 c 14.5639; 15.375; 19.355
90; 91.404; 90
1357.7Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022288 CIF
HKL
Paper
C14 H11 I N2 O SP -14.4279; 13.0767; 13.441
61.622; 86.203; 85.241
682.06Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022289 CIF
HKL
Paper
C14 H11 Br N2 O SP 1 21/n 13.9592; 15.142; 22.25
90; 95.183; 90
1328.4Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022290 CIF
HKL
Paper
C14 H11 Br N2 O SP 1 c 14.6404; 15.017; 19.074
90; 91.052; 90
1328.9Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022291 CIF
HKL
Paper
Li2 Pb S4 SiI -4 2 m6.4618; 6.4618; 7.7333
90; 90; 90
322.903Stoyko, Stanislav S.; Craig, Andrew J.; Kotchey, Joshua W.; Aitken, Jennifer A.
Synthesis, crystal structure, and electronic structure of Li~2~PbSiS~4~: a quaternary thiosilicate with a compressed chalcopyrite-like structure
Acta Crystallographica Section C, 2021, 77, 1-10
2022292 CIF
HKL
Paper
C12 H11 N5 OP 1 21/c 14.4041; 27.8787; 9.3533
90; 100.816; 90
1128Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.
Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2021, 77, 20-28
2022293 CIF
HKL
Paper
C12 H11 N5 OP b c a12.2191; 8.1593; 22.788
90; 90; 90
2271.9Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.
Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2021, 77, 20-28
2022297 CIF
HKL
Paper
C11 H10 N2 O2 SP 21 21 213.9876; 10.6511; 25.107
90; 90; 90
1066.4Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.
Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study
Acta Crystallographica Section C, 2021, 77, 40-48
2022298 CIF
HKL
Paper
C11 H10 N2 O2 SP b c a6.921; 7.2371; 42.396
90; 90; 90
2123.5Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.
Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study
Acta Crystallographica Section C, 2021, 77, 40-48
2022299 CIF
HKL
Paper
C14 H14 N2 O3C 1 2/c 143.803; 4.6835; 12.2643
90; 96.105; 90
2501.8Sugiyama, Haruki; Uekusa, Hidehiro
Two-step crystal‒crystal phase transformation of <i>N</i>-salicylidene-<i>p</i>-aminobenzoic acid by gas‒solid reaction with aqua‒ammonia vapour
Acta Crystallographica Section C, 2021, 77, 56-60
2022300 CIF
HKL
Paper
C16 H14 N8 S6C 1 2/c 112.3039; 6.4431; 25.9547
90; 94.145; 90
2052.18Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin
Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms
Acta Crystallographica Section C, 2021, 77, 49-55
2022301 CIF
HKL
Paper
C11 H13 N5 O S3P 1 21/c 124.5777; 8.9406; 13.3772
90; 93.313; 90
2934.59Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin
Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms
Acta Crystallographica Section C, 2021, 77, 49-55
2022302 CIF
HKL
Paper
C12 H10 N6P 1 21/c 113.7529; 6.6451; 12.2086
90; 93.634; 90
1113.49Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022303 CIF
HKL
Paper
C26 H24 Cl8 N12 Zn2C 1 2/c 130.503; 8.8791; 15.4063
90; 116.856; 90
3722.6Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022304 CIF
HKL
Paper
C50 H42 Cl14 N24 Zn4P 1 21/n 113.414; 18.504; 14.674
90; 105.834; 90
3504Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022305 CIF
HKL
Paper
C26 H24 Cl4 I4 N12 Zn2C 1 2/c 130.312; 9.461; 15.434
90; 114.625; 90
4024Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022306 CIF
HKL
Paper
C13 H11 Cl3 I2 N6 ZnP -19.804; 11.35; 11.35
69.43; 65.912; 65.912
1026Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022307 CIF
HKL
Paper
C70 H70 Cl4 Cu4 I4 N2 O2 P4P -111.95; 12.443; 13.06
83.43; 86.3; 83.76
1915.1Cao, Bing-Jun; Li, Ran; Huang, Xi-He
Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands
Acta Crystallographica Section C, 2021, 77, 61-67
2022308 CIF
HKL
Paper
C68 H66 Cu4 I4 N2 O2 P4P -111.981; 12.996; 13.23
62.49; 68.32; 83.71
1693.1Cao, Bing-Jun; Li, Ran; Huang, Xi-He
Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands
Acta Crystallographica Section C, 2021, 77, 61-67
2022309 CIF
HKL
Paper
C14 H38 Cl4 N2 SnP 1 21/n 110.9199; 13.1459; 17.8167
90; 107.328; 90
2441.54Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan
Conformational analysis of two new organotin(IV) structures completed with a CSD survey
Acta Crystallographica Section C, 2021, 77, 68-80
2022310 CIF
Paper
C44 H48 Cl8 N6 O2 P2 SnP 1 21/n 115.4589; 8.1983; 20.6655
90; 106.556; 90
2510.49Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan
Conformational analysis of two new organotin(IV) structures completed with a CSD survey
Acta Crystallographica Section C, 2021, 77, 68-80
2022311 CIFC22 H30 O4P 21 21 2111.4069; 17.9819; 19.1565
90; 90; 90
3929.3Skell, Jeffrey M.; Kahn, Michael; Foxman, Bruce M.
Δ^9^-Tetrahydrocannabinolic acid A, the precursor to Δ^9^-tetrahydrocannabinol (THC)
Acta Crystallographica Section C, 2021, 77, 84-89
2022312 CIF
HKL
Paper
Al3 Ce2 Ge4C m c e6.0581; 15.045; 7.94
90; 90; 90
723.7Tobash, Paul; Bobev, Svilen
The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data
Acta Crystallographica Section C, 2021, 77, 81-83
2022313 CIF
HKL
Paper
C14 H12 K2 O14P 1 21/c 18.3359; 17.0987; 6.5405
90; 110.687; 90
872.13Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine
Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties
Acta Crystallographica Section C, 2021, 77, 90-99
2022314 CIF
HKL
Paper
C12 H8 O14 Sr2P -17.0691; 7.8482; 7.9767
99.938; 107.918; 101.824
398.74Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine
Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties
Acta Crystallographica Section C, 2021, 77, 90-99
2022315 CIF
HKL
Paper
C11 H15 N3 O2P 1 21/c 19.874; 4.5259; 24.792
90; 94.393; 90
1104.7McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022316 CIF
HKL
Paper
C11 H15 Cl2 Mn N3 O2P -112.9256; 14.278; 17.022
75.82; 78.056; 73.644
2890.1McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022317 CIF
HKL
Paper
C26 H30 Mn2 N10 O4 S4P 1 21/c 17.2639; 24.655; 9.471
90; 98.994; 90
1675.3McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022318 CIF
HKL
Paper
C13 H23 Cl2 Mn N3 O4P 1 21/c 110.9211; 12.0382; 15.3331
90; 109.83; 90
1896.3McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022319 CIF
HKL
Paper
C15 H25.6 Cl2 Mn N3 O3.3P 1 21/c 114.4544; 8.6208; 16.9691
90; 112.426; 90
1954.58McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022320 CIF
HKL
Paper
C20 H30 Mn N6 O3 S2P 1 21/c 18.5916; 8.2974; 35.1501
90; 91.731; 90
2504.6McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022321 CIF
HKL
Paper
C23 H37 Mn N7 O4 S2P 1 21/c 114.9551; 11.0509; 18.4767
90; 100.043; 90
3006.8McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022322 CIF
HKL
Paper
C24 H20 N4C 1 2/c 129.76986; 8.91767; 14.70912
90; 99.2973; 90
3853.65Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.
Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane
Acta Crystallographica Section C, 2021, 77, 111-115
2022323 CIF
HKL
Paper
C30 H26 Cl2 N4 O3P 1 21/c 113.8413; 8.9901; 21.868
90; 103.683; 90
2643.91Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.
Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane
Acta Crystallographica Section C, 2021, 77, 111-115
2022324 CIF
HKL
Paper
C28 H23 N7 O13P 1 21 17.4532; 8.26902; 23.1876
90; 97.362; 90
1417.29Marczak, Maria; Biereg, Kinga; Zadykowicz, Beata; Sikorski, Artur
Structural characterization and theoretical calculations of the monohydrate of the 1:2 cocrystal salt formed from acriflavine and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2021, 77, 116-122
2022325 CIF
HKL
Paper
C6 H6 Br Cl N2 O2P 21 21 215.72152; 7.90017; 20.2729
90; 90; 90
916.35Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022326 CIF
HKL
Paper
C6 H7 Cl N2 O6 SP 1 21/c 116.1771; 4.95335; 12.8431
90; 101.584; 90
1008.17Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022327 CIF
HKL
Paper
C7 H9 Br N2 O2P -16.892; 7.7281; 8.921
76.646; 73.897; 76.045
436.12Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022328 CIF
HKL
Paper
C7 H9 I3 N2 O2P 1 21/n 17.084; 11.5247; 16.3921
90; 98.738; 90
1322.73Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022329 CIF
HKL
Paper
C7 H10 N2 O6 SP 1 21/n 17.0966; 8.3785; 17.5115
90; 100.185; 90
1024.81Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022330 CIF
HKL
Paper
C21 H19 N4 O3P 1 21/c 110.575; 17.149; 10.615
90; 108.434; 90
1826.3Fidan, Ismail; Onal, Emel; Hirel, Catherine
Nitroxide radicals appended to phthalonitriles: synthesis, structural characterization and photophysical properties
Acta Crystallographica Section C, 2021, 77
2022331 CIF
HKL
Paper
C34 H35 Fe2 O4 PP 21 21 217.631; 10.877; 36.025
90; 90; 90
2990.2Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022332 CIF
HKL
Paper
C32 H31 Fe2 O2 P SP 21 21 217.4923; 12.0133; 31.758
90; 90; 90
2858.45Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022333 CIF
HKL
Paper
C30 H29 Fe2 O P SP 21 21 217.5285; 17.6463; 39.3333
90; 90; 90
5225.4Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022334 CIF
HKL
Paper
C32 H33 Fe2 O3 P SP 21 21 217.8204; 17.835; 20.394
90; 90; 90
2844.5Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022335 CIF
HKL
Paper
C37 H36 Fe2 N P SP 21 21 2112.3578; 14.4342; 17.4796
90; 90; 90
3117.9Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022336 CIF
HKL
Paper
C30 H27 Fe2 P SP 1 21 18.4709; 14.1401; 21.031
90; 91.88; 90
2517.7Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022337 CIF
HKL
Paper
C53 H66 Cl2 Cr2 N4 O2P 1 21/n 114.917; 13.299; 27.554
90; 104.074; 90
5302.1Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.
Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states
Acta Crystallographica Section C, 2021, 77, 161-166
2022338 CIF
HKL
Paper
C65 H89 Cl2 Cr2 K2 N4 O5P 1 21/n 117.554; 16.64; 22.267
90; 90.785; 90
6503.5Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.
Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states
Acta Crystallographica Section C, 2021, 77, 161-166
2022340 CIF
HKL
Paper
Co32.32 Ge13.68 Mn28P n n m12.6208; 15.6878; 4.8338
90; 90; 90
957.06Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin
Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system
Acta Crystallographica Section C, 2021, 77, 176-180
2022341 CIF
HKL
Paper
Co30.97 Ge13.25 Mn29.79P n n m12.6427; 15.6725; 4.8374
90; 90; 90
958.5Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin
Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system
Acta Crystallographica Section C, 2021, 77, 176-180
2022342 CIF
HKL
Paper
Ni3 Se2R 3 2 :H6.02813; 6.02813; 7.24883
90; 90; 120
228.12Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko
Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe
Acta Crystallographica Section C, 2021, 77, 169-175
2022343 CIF
HKL
Paper
Ni SeP 63/m m c3.66147; 3.66147; 5.35766
90; 90; 120
62.204Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko
Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe
Acta Crystallographica Section C, 2021, 77, 169-175
2022344 CIF
Paper
C8 H20 Cl4 O2 WP 1 21/n 17.5962; 11.4871; 9.0245
90; 106.339; 90
755.66Shaw, Thomas E.; Sattelberger, Alfred P.; Jurca, Titel
A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)
Acta Crystallographica Section C, 2021, 77, 181-185
2022345 CIF
HKL
Paper
C21 H22 N O3 PP 1 21 111.6763; 7.2768; 22.3075
90; 96.6429; 90
1882.66Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides
Acta Crystallographica Section C, 2021, 77, 186-196
2022346 CIF
HKL
Paper
C21 H22 N O3 PP 1 21 111.6739; 7.2783; 22.3071
90; 96.638; 90
1882.64Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides
Acta Crystallographica Section C, 2021, 77, 186-196
2022347 CIF
HKL
Paper
C25 H28 F2 N3 O2 PP 21 21 214.9712; 20.1758; 22.7451
90; 90; 90
2281.29Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides
Acta Crystallographica Section C, 2021, 77, 186-196
2022348 CIF
HKL
Paper
C2 H4 Cl N3 O4P 1 21/m 15.1859; 11.8497; 9.6461
90; 96.153; 90
589.351Kumasaki, Mieko; Gontani, Saori; Mori, Kanae; Matsumoto, Shinya; Inoue, Kazuki
Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate
Acta Crystallographica Section C, 2021, 77, 197-201
2022349 CIF
HKL
Paper
C9 H13 N3 O4P 21 21 216.8378; 11.4334; 12.7595
90; 90; 90
997.53Budow-Busse, Simone; Chai, Yingying; Müller, Sebastian Lars; Daniliuc, Constantin; Seela, Frank
The α-<small>D</small>-anomer of 2'-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis
Acta Crystallographica Section C, 2021, 77, 202-208
2022350 CIF
HKL
Paper
C39 H46 N4 O6 SnP 1 21/c 19.4028; 25.1718; 15.5008
90; 93.3046; 90
3662.71Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022351 CIF
HKL
Paper
C40 H30 Br2 N4 O6 SnP 1 21/n 113.6816; 12.5767; 22.5401
90; 107.017; 90
3708.65Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022352 CIF
HKL
Paper
C50 H52 N2 O7 SnC 1 2/c 123.653; 10.1034; 20.5952
90; 115.072; 90
4458.02Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022353 CIF
HKL
Paper
C96 H136 N8 O16 Sn4P 1 21/c 111.8395; 24.2855; 17.3557
90; 93.2962; 90
4982Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022354 CIF
HKL
Paper
C72 H112 N4 O14 Sn4P -112.0054; 14.7309; 23.9132
76.3707; 75.5206; 88.1609
3977.81Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022355 CIF
HKL
Paper
C39 H64 Br Cu4 N5 O23P -19.4872; 10.7297; 25.92
89.116; 87.262; 89.258
2635Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
Acta Crystallographica Section C, 2021, 77, 221-226
2022356 CIF
HKL
Paper
C19 H29 Br3 Cu3 N O6P 1 2/n 19.0572; 10.6773; 26.743
90; 95.505; 90
2574.3Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
Acta Crystallographica Section C, 2021, 77, 221-226
2022357 CIF
HKL
Paper
C19 H28 Br N O5 ZnP 1 21/n 111.5479; 14.7949; 12.3782
90; 99.813; 90
2083.9Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
Acta Crystallographica Section C, 2021, 77, 221-226
2022358 CIF
HKL
Paper
Al0.33 Li4 Mg SiI -4 3 d10.7338; 10.7338; 10.7338
90; 90; 90
1236.69Pavlyuk, Volodymyr; Ciesielski, Wojciech; Kulawik, Damian; Pavlyuk, Nazar; Dmytriv, Grygoriy
Structural and enhanced hydrogen storage properties of the Li~12~Mg~3~Si~3~Al phase
Acta Crystallographica Section C, 2021, 77, 227-234
2022363 CIF
HKL
Paper
C30 H36 Cd Cl2 Fe O P2P -19.8113; 9.8273; 16.6898
91.454; 106.989; 101.534
1501.86Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.
Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands
Acta Crystallographica Section C, 2021, 77, 240-248
2022364 CIF
HKL
Paper
C52 H54 Cl2 Fe2 O6 P4 Zn2P -110.8762; 11.3163; 13.5343
83.078; 87.002; 70.848
1561.97Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.
Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands
Acta Crystallographica Section C, 2021, 77, 240-248
2022365 CIF
HKL
Paper
C26 H44 Fe P2 S2P 1 21/c 114.7589; 14.0445; 14.7141
90; 116.982; 90
2718Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.
Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands
Acta Crystallographica Section C, 2021, 77, 240-248
2022366 CIF
HKL
Paper
C35.75 H52 Cl0.25 Fe N1.75 P2 ZnP 1 21/m 18.2992; 21.6504; 9.9175
90; 112.451; 90
1646.9Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.
Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands
Acta Crystallographica Section C, 2021, 77, 240-248
2022367 CIF
HKL
Paper
B8 Eu Na3 O15P -16.2861; 7.5366; 13.4963
90.547; 100.667; 113.489
573.81Bi, Wen-Yan; Wang, Wei; Zhang, Rui-Juan
New red phosphor Na~3~EuB~8~O~15~ with an open-window tubular structure
Acta Crystallographica Section C, 2021, 77, 235-239
2022368 CIF
HKL
Paper
C5 H7 N3 S2P -16.088; 7.826; 8.623
79.8; 72.96; 80.62
383.9Slyvka, Yurii; Kinzhybalo, Vasyl; Shyyka, Olga; Mys'kiv, Marian
Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta</i>) and its heterometallic π,σ-complex [Cu~2~FeCl~2~(<i>Pesta</i>)~4~][FeCl~4~]
Acta Crystallographica Section C, 2021, 77, 249-256
2022369 CIF
HKL
Paper
C20 H28 Cl6 Cu2 Fe2 N12 S8C 1 2/c 117.65; 10.686; 21.107
90; 90.15; 90
3981Slyvka, Yurii; Kinzhybalo, Vasyl; Shyyka, Olga; Mys'kiv, Marian
Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta</i>) and its heterometallic π,σ-complex [Cu~2~FeCl~2~(<i>Pesta</i>)~4~][FeCl~4~]
Acta Crystallographica Section C, 2021, 77, 249-256
2022370 CIFC7 H5 Br O3P 1 21/n 13.8053; 14.661; 12.9396
90; 97.32; 90
716.01Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids
Acta Crystallographica Section C, 2021, 77, 262-270
2022371 CIFC7 H5 Br O3P -16.9581; 7.1413; 8.0284
81.959; 73.812; 71.352
362.44Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids
Acta Crystallographica Section C, 2021, 77, 262-270
2022372 CIFC7 H4 Br2 O3C 1 2/c 110.3703; 10.9444; 14.8108
90; 103.35; 90
1635.55Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids
Acta Crystallographica Section C, 2021, 77, 262-270
2022373 CIF
HKL
Paper
C22 H28 Br N O7P 1 21 19.9325; 9.0196; 12.3942
90; 93.844; 90
1107.86Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids
Acta Crystallographica Section C, 2021, 77, 262-270
2022374 CIF
HKL
Paper
C22 H27 Br2 N O7P 1 21 19.522; 9.3214; 13.3453
90; 99.6446; 90
1167.77Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids
Acta Crystallographica Section C, 2021, 77, 262-270
2022375 CIF
HKL
Paper
C22 H28 Br N O7P 1 21 111.0814; 9.28293; 11.1404
90; 98.638; 90
1132.99Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.
Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids
Acta Crystallographica Section C, 2021, 77, 262-270
2022376 CIF
HKL
Paper
C32 H24 Cd N4 O5P 4310.6631; 10.6631; 25.203
90; 90; 90
2865.6Wu, Ji-Pei; Cheng, Yi-Chuan; Lu, Lei; Wang, Jun; Qiao, Shan-Bao
A fourfold interpenetrating three-dimensional cadmium(II) coordination polymer: synthesis, crystal structure and physical properties
Acta Crystallographica Section C, 2021, 77, 257-261
2022378 CIF
HKL
Paper
C12 H8 N2 O4 SeP -17.653; 7.8066; 11.5939
76.603; 88.358; 61.263
588.04Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.
Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis
Acta Crystallographica Section C, 2021, 77
2022379 CIF
HKL
Paper
C12 H12 N2 SeP 1 21/n 18.4557; 7.053; 18.0521
90; 92.643; 90
1075.45Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.
Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis
Acta Crystallographica Section C, 2021, 77
2022380 CIF
HKL
Paper
C12 H12 N2 TeP -17.0048; 8.6062; 10.1392
66.164; 88.628; 88.78
558.9Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.
Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis
Acta Crystallographica Section C, 2021, 77
2022381 CIF
HKL
C23 H29 O12.5 Pb2P 1 21/n 111.607; 14.951; 15.017
90; 100.287; 90
2564.1Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran
Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties
Acta Crystallographica Section C, 2021, 77, 291-298
2022382 CIF
HKL
Paper
C26 H41 Ba2 N O16P 1 21/n 115.826; 13.033; 16.03
90; 93.074; 90
3301.6Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran
Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties
Acta Crystallographica Section C, 2021, 77, 291-298
2022383 CIF
HKL
Paper
C17 H17 N O3P 1 21/c 111.675; 8.6138; 14.1504
90; 90.075; 90
1423.05Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan
Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives
Acta Crystallographica Section C, 2021, 77
2022384 CIF
HKL
Paper
C16 H17 N O3P 1 21/n 18.9227; 12.8741; 12.5994
90; 93.897; 90
1443.97Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan
Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives
Acta Crystallographica Section C, 2021, 77
2022385 CIF
HKL
Paper
C15 H14 Br N O3P n a 217.896; 19.6458; 9.1088
90; 90; 90
1412.99Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan
Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives
Acta Crystallographica Section C, 2021, 77
2022387 CIF
HKL
Paper
C37 H34 Cu I N2 P2 SP -19.7713; 11.8827; 16.0872
85.185; 80.369; 69.634
1725.76Liang, Yu; Wang, Jian-Teng; Song, Li; Dai, Ding-Qiu; Wang, You-Yu; Chai, Wen-Xiang
Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP~2~S-containing cuprous complexes
Acta Crystallographica Section C, 2021, 77
2022388 CIF
HKL
Paper
C43 H36 Cu I N2 P2 SP 1 21/n 110.9718; 15.9975; 44.0539
90; 95.2989; 90
7699.4Liang, Yu; Wang, Jian-Teng; Song, Li; Dai, Ding-Qiu; Wang, You-Yu; Chai, Wen-Xiang
Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP~2~S-containing cuprous complexes
Acta Crystallographica Section C, 2021, 77
2022389 CIF
HKL
Paper
C10 H11 Cl2 N3 ZnP -17.4115; 8.5345; 10.779
89.682; 72.145; 71.405
611.87Małecka, Magdalena; Kusz, Joachim; Mayer, Peter; Sobiesiak, Marta; Budzisz, Elzbieta
Zinc(II) and nickel(II) complexes of 3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole: relationship between fluorescence and crystal packing
Acta Crystallographica Section C Structural Chemistry, 2021, 77
2022390 CIF
HKL
Paper
C20 H26 Cl2 N6 Ni O2P 1 21/c 112.2306; 13.2638; 14.056
90; 100.981; 90
2238.5Małecka, Magdalena; Kusz, Joachim; Mayer, Peter; Sobiesiak, Marta; Budzisz, Elzbieta
Zinc(II) and nickel(II) complexes of 3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole: relationship between fluorescence and crystal packing
Acta Crystallographica Section C Structural Chemistry, 2021, 77
2022391 CIF
HKL
Paper
C32 H72.64 Cl Eu3 N8 Na O32.04P -19.2252; 16.937; 17.274
96.37; 92.39; 93.26
2674.9Thomsen, Maria Storm; Madsen, Anders Ø.; Sørensen, Thomas Just
Crystal structure and optical properties of a two-sited Eu^III^ compound: an Eu^III^ ion coordinated by two [Eu^III^(DOTA)]^{-^} complexes (DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate)
Acta Crystallographica Section C, 2021, 77
2022392 CIF
Paper
C33 H22 OP -19.99; 10.7; 11.016
80.865; 73.669; 82.3
1110.7Shi, Linqi; Sun, Zipei; Tian, Jiajie; Huang, Yaodong; Meng, Jiben
Study of naphthopyran derivatives: structure and photochromic properties in solution and in polymer film
Acta Crystallographica Section C, 2021, 77
2022393 CIF
Paper
C37 H26 OP 1 21/n 110.96; 23.88; 20.385
90; 103.941; 90
5178Shi, Linqi; Sun, Zipei; Tian, Jiajie; Huang, Yaodong; Meng, Jiben
Study of naphthopyran derivatives: structure and photochromic properties in solution and in polymer film
Acta Crystallographica Section C, 2021, 77
2022394 CIF
HKL
Paper
C24 H48 Cl4 O7 Ti2C 1 2/c 119.1347; 9.1227; 18.7937
90; 102.092; 90
3207.84Bloomfield, Hannah R.; Hollett, Joshua W.; Ritch, Jamie S.
Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex
Acta Crystallographica Section C, 2021, 77
2022395 CIF
HKL
Paper
C16 H22 Br2 Cu N14 O4C 1 c 111.062; 8.369; 27.406
90; 92.44; 90
2534.9Parisi, Emmanuele; Centore, Roberto
Stabilization of an elusive tautomer by metal coordination
Acta Crystallographica Section C, 2021, 77

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