Single-crystal X-ray diffractometry data for a sample of NiCl₂-dppe collected on beamline I19-2 at Diamond Light Source

Single-crystal X-ray diffractometry data for a sample of [1,2-Bis(diphenylphosphino)ethane]dichloronickel(II) (NiCl2-dppe, [(C6H5)2PCH2CH2P(C6H5)2]NiCl2).

Data collected at Diamond Light Source I19-2 on 2015-05-18, publicly available for users to test data reduction routines. Data are known to produce good merging statistics and final refinements.

The sample was prepared as follows:
Nickel chloride (II) hexahydrate (1 g, 2 mmol) was heated under vacuum to produce anhydrous nickel chloride (II) with a visible colour change from green to yellow. The resulting solid was taken up in ethanol (5 ml) and added to 1,2-bis(dimethylphosphine)ethane (dppe) (0.837 g, 2 mmol) in ethanol (10 ml). The solution was refluxed for 3 hour after which the solvent was evaporated. The small red crystals were purified by recrystallisation in acetone (70% yield).

The sample was held at an approximate temperature of 150 K and the illuminating beam had a wavelength of 0.68890 Å (17.997 keV).  The detector was held at 2θ = 25° throughout.

Inventory of data:
010_Ni_dppe_Cl_2_150K01 — 130° ω scan, 0.4° images, 0.4s per image, 325 images; κ = 45°, φ = 160°.
010_Ni_dppe_Cl_2_150K02 — 130° ω scan, 0.4° images, 0.4s per image, 325 images; κ = 45°, φ = 40°.
010_Ni_dppe_Cl_2_150K03 — 130° ω scan, 0.4° images, 0.4s per image, 325 images; κ = 45°, φ = -80°.
010_Ni_dppe_Cl_2_150K04 — 198° ω scan, 0.4° images, 0.4s per image, 495 images; κ = 0°, φ = -80°.