1

2

3

4

Empirical formula

C₂₇H₃₀BF₄N₇O₆

C₃₂H₄0N₆O₉S

C₂₅H₃₁Cl₃N₆O₆Sn

C₆₄H₇₈N₁₄O₁₆Zr₂

Formula mass

635.39

684.76

736.60

1481.84

λ [Å]

0.71073

1.54178

0.71073

0.71073

T [K]

100 (2)

100 (2)

10 (2)

100 (2)

Crystal system

monoclinic

triclinic

monoclinic

orthorhombic

Space group

P2₁/c

P-1

P2₁/n

Pbca

a [Å]

19.771 (2)

8.7537 (12)

15.378 (3)

15.746 (2)

b [Å]

22.536 (2)

14.076 (3)

11.639 (2)

19.289 (3)

c [Å]

13.450 (1)

15.822 (3)

16.859 (3)

22.002 (3)

α [˚]

71.271 (14)

β [˚]

98.834 (2)

75.117 (11)

102.85 (3)

γ [˚]

76.870 (11)

V [ų]

5921.9 (9)

1761.8 (5)

2941.8 (11)

6683 (2)

Z

8

2

4

4

D_c [g cm⁻³]

1.425

1.291

1.663

1.473

µ [mm⁻¹]

0.118

1.322

1.192

0.390

F(000)

2640

724

1488

3072

Crystal size [mm]

0.24 × 0.30 × 0.42

0.05 × 0.2 × 0.4

0.07 × 0.18 × 0.28

0.13 × 0.36 × 0.42

θ range [˚]

2.270 - 24.842

3.01 - 65.94

2.39 - 23.61

2.22 - 27.68

Reflections collected

62300

20908

23263

68722

independent reflections [R(int)]

10175 [0.0936]

6109 [0.0767]

5213 [0.0878]

5885 [0.2807]

Reflections [I > 2σ(I)]

7569

4040

4052

3842

Data/restraints/ parameters

10175/0/825

6109/4/457

5214/75/363

5885/3/448

Goodness-of-fit on F²

1.038

1.043

1.048

0.925

Final R₁, wR₂ [I > 2σ(I)]

0.0796, 0.2153

0.0531, 0.1309

0.0607, 0.1627

0.0603, 0.1413

Final R₁, wR₂ (all data)

0.1015, 0.2365

0.0869, 0.1491

0.0775, 0.1757

0.0946, 0.1543

Max/min difference [e∙A⁻³]

1.31/−0.56

0.26/-0.40

0.97/−0.91

1.24/−1.47