Constituent Tl Cysteine | SSHADE

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Constituent

Name: Tl Cysteine
Official name: Thallium(I) L-cysteine

Family: molecular solid
Class: hydrogen bonded molecular solid
Compound type: organic molecular solid
Comments: It is isomer made of dimers of Tl(HCys). Another isomer exists with quadrimers (monoclinic, C2)

Constituent abundance in material

Relevance: main - major
Arrangement: single phase
Mass fraction: 1.0
Mole fraction: 1.0

Chemical composition

Formula: (TlSC_2H_3(NH_2)COOH)_2
Chemical formula: (Tl[SC2H3(NH2)COOH])2
Elemental formula: Tl2 S2 C6 N2 O4 H12
Isotope mixture type: terrestrial abundance

	Formula	Name	Family	Number min-max	Mole fraction	Isotope mole fraction	State	Relevance
	$Tl$	Thallium	element	2	0.07142857142857142	1	constituent element	main
	$S$	Sulfur	element	2	0.07142857142857142	1	constituent element	main
	$C$	Carbon	element	6	0.21428571428571427	1	constituent element	main
	$N$	Nitrogen	element	2	0.07142857142857142	1	constituent element	main
	$O$	Oxygen	element	4	0.14285714285714285	1	constituent element	main
	$H$	Hydrogen	element	12	0.42857142857142855	1	constituent element	main

Composition comments: This solid correspond to the isomer made of dimers of Tl(HCys)

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-C(=O)-OH$	2
	$R-NH_2$	2

Chemical bonds

	Bond	Number
	$\geq Tl-S \leq$	6
	$\geq Tl-O-	2
	$\geq C-S \leq	2
	$\geq C-C \leq$	2
	$\eqslantgtr C-C\leq$	2
	$\geq C-N<$	2
	$\eqslantgtr C-O-$	2
	$>C=O$	2
	$\geq C-H$	6
	$>N-H$	4
	$-O-H$	2
	$-O \dots H-$	6

Class: molecular solids with polar molecules (02)
Type: with polyatomic organic polar molecules (CnHm...) (02.01)

Phase type: crystalline

Crystallography

Crystal system: monoclinic
Crystal class: sphenoidal
Crystal class symbol: 2 (C2)
Crystal spacegroup: P2(1)

Texture: polycrystalline

Physical properties

Molar mass: 649.04 $g/mol$
Density: 3.538 (calc.) $g/cm^3$

Optical properties

Refringence type: biaxial
Color: yellow