Table 1.

Crystal data and structure refinement for MOF-1.

Empirical formula	C23.2H24.7CuN4.3O5.3
Formula weigh	957.88
Temperature	293(2)K
Crystal system	Orthorhombic
Space group	Pbam
Unit cell dimensions	a = 14.3040(16) Å, α = 90° b = b = 16.970(2) Å, β = 90° c = 11.098(2) Å, γ = 90°
Volume	2,693.9(7) Å3
Z	4
Crystal size	0.27 × 0.23 × 0.19
Density(calculated)	1.263 g/cm3
F(000)	1,062
Theta(max)	29.5°
Goodness- of- fit on F2	1.105
Refinement	R[F2 > 2σ(F2)] = 0.148 wR(F2) = 0.301
Reflns collected/unique	12,881/2,462
Largest diff. peak and hole	1.90, − 0.87 eA−3