Abstract:C 28 H 40 MnN 6 O 12 S 2 , monoclinic, P21/c (no. 14), a = 6.211(5) Å,
CCDC no.: 1446507The crystal structure is shown in the gure. Tables 1-3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Source of materialMnCl 2 . 4H 2 O (0.2976 g) was added to a solution of C14H14N 3 NaO 3 S (0.491 g) in methanol (200 mL) and the mixture was slowly evaporated. Small red-brown crystals were obtained approximately after a week.
Experimental detailsA… Show more
“…Of course with long anions, such as those of CSD refcodes FAFYIX (Oh et al, 2016), KURWOK (Tai & Zhang, 2010) and RIHFEV (Astbury et al, 2013), the fingers of the comblike structure become more entangled, probably preventing an easy cleavage along the pertinent crystallographic planes.…”
Section: Description Of the Selected Crystal Structuresmentioning
This paper describes a laboratory course that introduces basic crystallographic data analysis to chemistry students encountering for the first time the world of crystals and crystal structures. The aim of the course is to provide students with direct contact with crystal structures and hands-on experience in structure analysis. To this end, a set of appropriately simple inorganic molecular structures was selected, consisting of salts of hexaaqua metal ions with organic counter-ions. By exploiting the crystallographic tools available in the Cambridge Structural Database program Mercury, students learn how to visualize and analyse a set of atomic coordinates. In this way they learn how to extract bonding and structural information concerning intramolecular interactions in both salt components. Intermolecular interactions are next analysed by looking closely at supramolecular motifs and packing patterns generated by hydrogen bonds. This pragmatic approach turned out to be effective and extremely useful for summarizing many chemical concepts learned by students during a bachelor degree course in chemistry. The experience provides at the same time some basic capabilities for properly managing crystal structure analysis.
“…Of course with long anions, such as those of CSD refcodes FAFYIX (Oh et al, 2016), KURWOK (Tai & Zhang, 2010) and RIHFEV (Astbury et al, 2013), the fingers of the comblike structure become more entangled, probably preventing an easy cleavage along the pertinent crystallographic planes.…”
Section: Description Of the Selected Crystal Structuresmentioning
This paper describes a laboratory course that introduces basic crystallographic data analysis to chemistry students encountering for the first time the world of crystals and crystal structures. The aim of the course is to provide students with direct contact with crystal structures and hands-on experience in structure analysis. To this end, a set of appropriately simple inorganic molecular structures was selected, consisting of salts of hexaaqua metal ions with organic counter-ions. By exploiting the crystallographic tools available in the Cambridge Structural Database program Mercury, students learn how to visualize and analyse a set of atomic coordinates. In this way they learn how to extract bonding and structural information concerning intramolecular interactions in both salt components. Intermolecular interactions are next analysed by looking closely at supramolecular motifs and packing patterns generated by hydrogen bonds. This pragmatic approach turned out to be effective and extremely useful for summarizing many chemical concepts learned by students during a bachelor degree course in chemistry. The experience provides at the same time some basic capabilities for properly managing crystal structure analysis.
C 28 H 40 N 6 NiO 12 S 2 , monoclinic, P21/c (no. 14), a = 6.202(1) Å, b = 7.126(1) Å, c = 38.499(2) Å, β = 91.258(2)°, V = 1701.1(4) Å 3 ,
CCDC no.: 1560153The cation and the anion forming the title crystal structure are shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Source of materialsNiCl 2 ·6H 2 O (0.364 g) was added to a solution of C14H14N 3 NaO 3 S (0.491 g) in methanol (200 mL) and the mixture was slowly evaporated. Small red-brown crystals were obtained after approximately 1 week.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.