Constituent Frozen solution of AgL1 complex (L1=NTA(CysOEt)3 and pH=7.4), model for trigonal AgS3 coordination | SSHADE

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Constituent

Name: Frozen solution of AgL1 complex (L1=NTA(CysOEt)3 and pH=7.4), model for trigonal AgS3 coordination

Family: molecular solid
Class: hydrogen bonded molecular solid
Compound type: molecular solid solution

Constituent abundance in material

Relevance: main - major
Arrangement: single phase
Mass: 1025.95109168 $g$
Mass fraction: 1.0

Chemical composition

Isotope mixture type: terrestrial abundance

	Formula	Name	Family	Number min-max	Mole fraction	Mass fraction	State	Relevance	Comments
	$H_2O$	Water	molecule			0.8772347992985178	solvent	main
	$HOCH_2CH(OH)CH_2OH$	Glycerol	molecule			0.09747053325539086	solvent	main	quantity: 10% added to the solution
	$HOC_2H_4(C_4N_2H_8)_{cycl}C_2H_4SO_2OH$	HEPES	molecule			0.02322734503939955	solute	main	quantity: 100mM
	$C_{21}H_{36}N_4O_9S_3$	3-cysteine-ester	molecule			0.0013678546778501928	solute	main	quantity: 2.4mM, added as L1=NTA(CysOEt)3 in a glove box
	$N(CH_2CO_2H)_3$	Nitrilotriacetic acid	molecule			0.00044713242543444975	solute	main	quantity: 2.4mM, added as L1=NTA(CysOEt)3 in a glove box
	$Ag$	Silver	element			0.00025233530340717966	solute	main	quantity: 2.4mM, AgNO3 dissolved in water and reacted with L1=NTA(CysOEt)3 in a glove box

Chemical functions and bonds

Chemical functions

	Function	Number	Relevance
	$R-OH$	2	main
	$R-CH_2-CH_3$	3	main
	$R-S-H$	3	main
	$R-C(=O)-R$	6	main
	$R-OH$	3	main

Chemical bonds

	Bond	Number	Relevance
	$-O-H$	2	main
	$-O-H$	2	main
	$\geq C-H$	16	main
	$\geq C-N<$	6	main
	$\geq C-C \leq$	4	main
	$\geq C-O-$	1	main
	$\geq C-S \ll$	1	main
	$-\gg S-O-$	1	main
	$\geqq S=O$	2	main
	$\geq C-H$	30	main
	$\geq C-O-$	3	main
	$\geq C-C \leq$	9	main
	$>C=O$	6	main
	$\eqslantgtr C-O-$	3	main
	$-S-H$	3	main
	$\geq C-S-$	3	main
	$\eqslantgtr C-N<$	3	main
	$\geq C-N<$	6	main
	$>N-H$	3	main
	$\eqslantgtr C-C\leq$	3	main
	$-O-H$	3	main
	$>C=O$	3	main
	$\eqslantgtr C-C\leq$	3	main
	$\eqslantgtr C-O-$	3	main
	$\geq C-N<$	3	main
	$\geq C-H$	6	main

Phase type: amorphous

Crystals and texture

Texture: amorphous