Table 1 Structure of single crystal for [NH2(CH3)2]2CuBr4 at 300 K (CCDC No. 2290529).

From: Investigation on the organic–inorganic hybrid crystal [NH2(CH3)2]2CuBr4: structure, phase transition, thermal property, structural geometry, and dynamics

Chemical formula

C4H16N2CuBr4

Weight

475.37

Crystal structure

Monoclinic

Space group

P21/n

T (K)

300

a (Å)

8.8651 (5)

b (Å)

11.9938 (6)

c (Å)

13.3559 (7)

α (°)

90

β (°)

91.322 (2)

γ (°)

90

Z

4

V (Å3)

1419.70

Wavelength (Å)

0.71073

θ range for data collection (°)

2.283–28.331

Reflections collected

29,993

Independent reflections

3535 (Rint = 0.0951)

Goodness-of-fit on F2

0.990

Final R indices [I > 2sigma(I)]

R1 = 0.0408, wR2 = 0.0690

R indices (all data)

R1 = 0.1156, wR2 = 0.0861

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