Crystallography Open Database

Result: there are 199 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta crystallographica. Section C, Structural chemistry' volume of publication is 80

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 4 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2312552 CIF
HKL
Paper
C52 H56 Cl4 Mn2 O6 P4I 41/a :221.0944; 21.0944; 12.0785
90; 90; 90
5374.61Li, Jia Wei; Niu, Mengyuan; Feng, Wei; Dong, Wenke; Liu, Yanjie; Yang, Jingjing; Wang, Chunjie; Zhang, Hui; Song, Wei Wu
Synthesis, structure and red-light emission of a manganese halide directed by a methyldiphenylphosphine oxide complex.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312553 CIF
HKL
Paper
C14 H10 Br N3P n m a8.7734; 7.0554; 19.7544
90; 90; 90
1222.79Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long
Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312554 CIF
HKL
Paper
C28 H20 Br5 N6 SbI 4/m23.8054; 23.8054; 7.3222
90; 90; 90
4149.5Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long
Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312555 CIF
HKL
Paper
C6 H12 N6 O S2P 1 21/c 19.5521; 13.9524; 9.9961
90; 117.12; 90
1185.75Wzgarda-Raj, Kinga; Olszewski, Adrian; Palusiak, Marcin
The pattern of bifurcated hydrogen bonds in thiourea cocrystals with diazine derivatives: experimental and quantum theoretical studies.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312556 CIF
HKL
Paper
C45 H40 N13 S3P 1 21/c 125.5771; 11.7896; 13.6126
90; 92.484; 90
4100.9Wzgarda-Raj, Kinga; Olszewski, Adrian; Palusiak, Marcin
The pattern of bifurcated hydrogen bonds in thiourea cocrystals with diazine derivatives: experimental and quantum theoretical studies.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312557 CIF
Paper
C3 H7 N O2P 21 21 215.89; 5.99; 12.22
90; 90; 90
431Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312558 CIF
Paper
C3 H7 N O2P 21 21 215.89; 5.99; 12.22
90; 90; 90
431Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312559 CIF
Paper
C2 H5 N O2P 1 21/n 15.11; 11.81; 5.44
90; 113.1; 90
302Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312560 CIF
Paper
C2 H5 N O2P 1 21/n 15.11; 11.81; 5.44
90; 113.1; 90
302Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312561 CIF
Paper
C H4 N2 OP -4 21 m5.596; 5.596; 4.7164
90; 90; 90
147.7Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312562 CIF
Paper
C H4 N2 OP -4 21 m5.596; 5.596; 4.7164
90; 90; 90
147.7Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312563 CIF
Paper
C55 H42 F18 Fe2 N15 P3C 1 2/c 125.562; 17.0373; 14.8998
90; 112.112; 90
6011.7Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E
Formation of a diiron-(μ-η<sup>1</sup>:η<sup>1</sup>-CN) complex from acetonitrile solution.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312564 CIF
Paper
C16 H19 Cl N2 O2P 1 21/n 17.7936; 18.3639; 16.3922
90; 102.245; 90
2292.69Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312565 CIF
Paper
C16 H19 Br N2 O2P -17.8794; 9.7748; 16.272
104.385; 98.342; 96.386
1186.86Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312566 CIF
Paper
C16 H19 I3 N2 O2P -17.3766; 8.8131; 9.3226
113.612; 103.144; 104.263
500.61Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312567 CIF
Paper
C16 H19 B F4 N2 O2P -17.107; 9.5381; 13.3592
98.765; 98.034; 105.977
844.555Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312568 CIF
Paper
C16 H19 Br0.93 I3.07 N2 O2P 1 21/m 15.8956; 18.6224; 19.9632
90; 91.97; 90
2190.47Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312569 CIF
HKL
Paper
C8 H14 Mn O12P -15.3263; 7.3743; 9.3688
109.863; 104.606; 93.344
330.69Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312570 CIF
HKL
Paper
C8 H14 Co O12P -15.2222; 7.3322; 9.2293
109.125; 104.376; 93.224
319.76Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312571 CIF
HKL
Paper
C8 H14 Ni O12P -15.178; 7.3254; 9.1449
108.423; 104.583; 92.929
315.25Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312572 CIF
HKL
Paper
C8 H14 O12 ZnP -15.2307; 7.3259; 9.2246
108.753; 104.626; 93.202
320.23Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312573 CIF
HKL
Paper
C18 H14 Br2 N6 O ZnP n m a14.4614; 14.1299; 10.1503
90; 90; 90
2074.09Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.
Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312574 CIF
HKL
Paper
C18 H14 Br2 N6 O ZnP 1 21/m 19.9449; 14.1246; 14.3921
90; 93.216; 90
2018.44Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.
Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312575 CIF
HKL
Paper
C18 H14 Cl2 N6 O ZnP n m a14.1507; 14.0162; 9.8624
90; 90; 90
1956.1Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.
Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312576 CIF
HKL
Paper
C20 H20 Cl4 I2 N4P -18.168; 9.129; 9.8118
103.727; 107.165; 112.18
594.91Bosch, Eric; Bowling, Nathan P.
Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312577 CIF
HKL
Paper
C20 H20 Br4 I2 N4P -18.3361; 9.3089; 9.8204
102.484; 108.399; 113.064
612.84Bosch, Eric; Bowling, Nathan P.
Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312578 CIF
HKL
Paper
C20 H20 Br F4 I N4P 1 21/c 17.3898; 16.212; 9.4236
90; 106.304; 90
1083.58Bosch, Eric; Bowling, Nathan P.
Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312579 CIF
HKL
Paper
C20 H20 Br2 F2 I2 N4P -19.6158; 9.7518; 14.8423
74.473; 85.82; 61.476
1175.73Bosch, Eric; Bowling, Nathan P.
Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312580 CIFC17 H19 Cl F18 O5 TiP 1 21/c 114.05; 10.701; 18.692
90; 108.45; 90
2665.9Van Der Sluys, William G.
Concerning the structures of Lewis base adducts of titanium(IV) hexafluoroisopropoxide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312581 CIF
HKL
Paper
C15 H3 F18 Fe O6P 1 21/n 18.7659; 12.9796; 19.1759
90; 91.632; 90
2180.91Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V.
Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals?
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312582 CIF
HKL
Paper
C15 H3 F18 Fe O6P -318.1141; 18.1141; 11.7136
90; 90; 120
3328.55Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V.
Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals?
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312583 CIF
HKL
Paper
C30 H38 Cl2 Cu3 N16 O13C c c a :213.766; 20.162; 30.654
90; 90; 90
8508Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312584 CIF
HKL
Paper
C9 H14 Cu N4 O7P 1 21/c 17.0587; 20.3107; 18.9523
90; 91.77; 90
2715.8Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312585 CIF
HKL
Paper
C30 H32.4 Cl2 Cu3 N16 O20.2C 1 2/c 117.9569; 15.2466; 16.6781
90; 95.296; 90
4546.7Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312586 CIF
HKL
Paper
C48 H72 Cu3 N24 O29P 1 21/c 17.7912; 12.5972; 32.481
90; 96.802; 90
3165.5Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312587 CIF
HKL
Paper
C26 H30 N4 O4 S2C 1 2/c 130.0416; 9.7018; 24.0984
90; 129.744; 90
5400.6Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.
Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312588 CIF
HKL
Paper
C26 H31.6 Cl N4 O4.3 S2P 1 21/c 112.0993; 13.4307; 17.3586
90; 103.667; 90
2740.94Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.
Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312589 CIF
Paper
C45 H57 N25 Ti2P 1 21/c 111.6292; 22.6611; 22.3631
90; 93.857; 90
5880Bikzhanova, Galina A.; Guzei, Ilia A.
Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312590 CIF
Paper
C57.09 H63.47 Cl0.76 N28 Zr2P -113.9631; 16.7619; 27.3054
86.902; 81.154; 89.969
6305.3Bikzhanova, Galina A.; Guzei, Ilia A.
Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312591 CIF
Paper
C65.75 H70 N36 O Ta2P 1 21/n 122.5131; 25.5101; 26.7165
90; 101.383; 90
15041.8Bikzhanova, Galina A.; Guzei, Ilia A.
Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312592 CIF
HKL
Paper
C26 H34 Cu N4 O10P -18.1778; 12.3323; 15.9879
69.166; 77.689; 88.572
1470.03Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312593 CIF
HKL
Paper
C26 H32 Cu N4 O9P -111.0826; 11.184; 12.188
86.537; 69.82; 83.261
1407.8Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312596 CIF
HKL
Paper
C14 H10 Ba N2 O10P -17.3856; 8.408; 14.5603
75.415; 76.628; 68.377
803.76Ding, Xin Yu; Yu, Hai Yan; Zhang, Hong Tao; Wang, Xiao Long
A new three-dimensional barium(II) coordination polymer constructed from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structure, Hirshfeld surface analysis and properties.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312597 CIF
HKL
Paper
C14 H10 Cd N2 O10P -14.9317; 5.441; 14.014
84.255; 88.521; 87.532
373.7Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao
2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312598 CIF
HKL
Paper
C14 H12 N2 O11 ZnP 1 21/n 110.768; 5.0511; 29.334
90; 94.409; 90
1590.8Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao
2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312599 CIF
Paper
C24 H12 B Cl N6P n m a12.0315; 14.8174; 10.3002
90; 90; 90
1836.3Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312600 CIF
Paper
C24 H12 B Br N6P n m a12.001; 15.0617; 10.3879
90; 90; 90
1877.67Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312601 CIF
Paper
C25 H15 B N6 OP n m a12.3162; 15.2325; 10.4151
90; 90; 90
1953.9Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312602 CIF
Paper
C26 H17 B N6 OP 1 21/n 19.0313; 14.22; 16.474
90; 102.667; 90
2064.2Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312603 CIF
Paper
C26 H17 B N6 OP 1 21/n 19.0304; 14.2423; 16.4452
90; 102.476; 90
2065.1Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 4 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!