Caesium propanoate monohydrate
Caesium propanoate monohydrate, Cs+·C3H5O2−·H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P\overline421m, one symmetry-independent propanoate molecule in a general position and a pair of water molecules also situated on special...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-08-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020009639 |
| _version_ | 1819280367665807360 |
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| author | Erika Samolová Jan Fábry |
| author_facet | Erika Samolová Jan Fábry |
| author_sort | Erika Samolová |
| collection | DOAJ |
| description | Caesium propanoate monohydrate, Cs+·C3H5O2−·H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P\overline421m, one symmetry-independent propanoate molecule in a general position and a pair of water molecules also situated on special position 4e. Two pairs of these symmetry-independent cations, four propanoate molecules and two pairs of symmetry-independent water molecules form a repeat unit. These units form columns that are directed along the c axis and possess symmetry mm2. There are four such columns passing through each unit cell. Each column is interconnected to its neighbours by four bifurcated three-centred Ow—H...Op (w = water, p = propanoate) hydrogen bonds of moderate strength. There are also four intramolecular Ow—H...Op hydrogen bonds of moderate strength within each column. One Cs+ cation is coordinated by six oxygen atoms (two water and four carboxylate) in a trigonal–prismatic geometry, while the other Cs+ cation is coordinated by four water and four carboxylate O atoms in a tetragonal–prismatic arrangement. |
| first_indexed | 2024-12-24T00:42:40Z |
| format | Article |
| id | doaj.art-9b22d60a662546a2918f7eb689d7d4bc |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T00:42:40Z |
| publishDate | 2020-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-9b22d60a662546a2918f7eb689d7d4bc2022-12-21T17:23:54ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-08-017681307131010.1107/S2056989020009639dj2008Caesium propanoate monohydrateErika Samolová0Jan Fábry1Inst. of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech RepublicInst. of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech RepublicCaesium propanoate monohydrate, Cs+·C3H5O2−·H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P\overline421m, one symmetry-independent propanoate molecule in a general position and a pair of water molecules also situated on special position 4e. Two pairs of these symmetry-independent cations, four propanoate molecules and two pairs of symmetry-independent water molecules form a repeat unit. These units form columns that are directed along the c axis and possess symmetry mm2. There are four such columns passing through each unit cell. Each column is interconnected to its neighbours by four bifurcated three-centred Ow—H...Op (w = water, p = propanoate) hydrogen bonds of moderate strength. There are also four intramolecular Ow—H...Op hydrogen bonds of moderate strength within each column. One Cs+ cation is coordinated by six oxygen atoms (two water and four carboxylate) in a trigonal–prismatic geometry, while the other Cs+ cation is coordinated by four water and four carboxylate O atoms in a tetragonal–prismatic arrangement.http://scripts.iucr.org/cgi-bin/paper?S2056989020009639crystal structurehydrogen bondingmetal–organic compoundscambridge structural databasepositional disorderoccupational disorderhydrates |
| spellingShingle | Erika Samolová Jan Fábry Caesium propanoate monohydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure hydrogen bonding metal–organic compounds cambridge structural database positional disorder occupational disorder hydrates |
| title | Caesium propanoate monohydrate |
| title_full | Caesium propanoate monohydrate |
| title_fullStr | Caesium propanoate monohydrate |
| title_full_unstemmed | Caesium propanoate monohydrate |
| title_short | Caesium propanoate monohydrate |
| title_sort | caesium propanoate monohydrate |
| topic | crystal structure hydrogen bonding metal–organic compounds cambridge structural database positional disorder occupational disorder hydrates |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989020009639 |
| work_keys_str_mv | AT erikasamolova caesiumpropanoatemonohydrate AT janfabry caesiumpropanoatemonohydrate |