Crystallography Open Database

Information card for entry 7713983

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Coordinates	7713983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 Br2 N Ni P
Calculated formula	C15 H20 Br2 N Ni P
SMILES	Br[Ni]1(Br)[P](c2c3[n]1cccc3ccc2)(C(C)C)C(C)C
Title of publication	Phosphinoquinoline supported CoII, NiII, and FeII complexes: divergent behaviour upon reduction
Authors of publication	SCHILTZ, pauline; Casaretto, Nicolas; Bourcier, Sophie; Gosmini, Corinne; Auffrant, Audrey
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.6093 ± 0.0005 Å
b	10.7482 ± 0.0005 Å
c	15.4756 ± 0.0008 Å
α	108.104 ± 0.003°
β	98.41 ± 0.003°
γ	91.115 ± 0.003°
Cell volume	1655.34 ± 0.14 Å³
Cell temperature	149.99 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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