AMX MAX-CSD 10 Manual de usuario descargar pdf (Pagina 8)

Figure S4. Crystal structure of 3 shown without water molecules in channels. Hydrogen atoms

on coordinated water molecules are omitted (and were not used in the model).

Table S2. Data collection, Structure Solution and Refinement Parameters for 3

Specimen colour White

Specimen shape (mm) Cylinder

12 × 1.0 × 1.0 mm

Crystal system Triclinic

Space group, Z P-1, 1

a (Å) 9.5471(7)

b (Å) 7.8520(7)

c (Å) 8.4756(6)

α (°)

91.891(4)

β (°)

107.086(3)

γ (°) 100.815(4)

V (Å

) 593.90(8)

Density (Mg/m

) 1.695

Temperature (K) 298

µ (mm

–1

) 3.139

2θ range (deg)

3.0 to 65.0

Increment in 2θ (deg) 0.0172

reflns measured 429

Specimen mounting 1.0 mm borosilicate

capillary

Mode Transmission

Scan method Step

Parameters refined 95

No. of Restraints 57

0.0478

0.0630

exp

0.0164

4. CO

Sorption Measurements

Sorption studies were carried out using a Hiden Isochema (Warrington, U. K.) Intelligent

Gravimetric Analyser (IGA) equipped with a micro-gram balance and 2, 100 and 20000 mbar

barotron pressure transducers. Temperature control was via a furnace for desolvation of the as-

1 2 3 4 5 6 7 8 9 10 11

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