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. 2024 Jul 30;80(Pt 4):347–359. doi: 10.1107/S2052520624005948
  6 7 8 9
Crystal data
Chemical formula C36H32Cl2CuN8O8·2(C4H10O) C36H32Cl2CuN8O8·2(C3H7NO) C36H32Cl2CuN8O8·2(C3H6O) C36H32Cl2CuN8O8·2(C4H8O)
M r 987.37 985.33 955.29 983.34
Crystal system, space group Triclinic, PInline graphic Triclinic, PInline graphic Triclinic, PInline graphic Monoclinic, P21/n
a, b, c (Å) 9.4157 (5), 9.9855 (6), 13.6726 (7) 9.1544 (4), 9.8343 (5), 14.2557 (8) 9.4814 (4), 9.7136 (5), 13.3146 (9) 9.0943 (5), 25.0287 (17), 10.0253 (5)
α, β, γ (°) 106.181 (5), 96.455 (4), 106.527 (5) 91.493 (4), 107.948 (5), 109.075 (5) 69.117 (6), 80.660 (5), 68.833 (5) 90, 107.509 (6), 90
V (Å3) 1157.64 (12) 1142.38 (11) 1067.61 (11) 2176.2 (2)
Z 1 1 1 2
Radiation type Cu Kα Mo Kα Mo Kα Mo Kα
μ (mm−1) 2.28 0.66 0.71 0.69
Crystal size (mm) 0.16 × 0.09 × 0.09 0.25 × 0.15 × 0.15 0.16 × 0.11 × 0.10 0.23 × 0.13 × 0.13
 
Data collection
Tmin, Tmax 0.815, 1.000 0.757, 1.000 0.586, 1.000 0.503, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 7216, 4229, 3607 8820, 4905, 4337 8762, 4579, 3483 8871, 3808, 2800
R int 0.035 0.022 0.045 0.089
(sin θ/λ)max (Å−1) 0.605 0.639 0.639 0.595
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.059, 0.156, 1.06 0.037, 0.095, 1.06 0.052, 0.135, 1.06 0.062, 0.157, 1.18
No. of reflections 4229 4905 4579 3808
No. of parameters 306 303 294 301
No. of restraints 3 2 1 3
Δρmax, Δρmin (e Å−3) 1.55, −0.51 0.61, −0.46 0.86, −0.86 0.87, −0.59