Crystallography Open Database

Information card for entry 7713986

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Coordinates	7713986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H60 N3 Ni3 P3
Calculated formula	C45 H60 N3 Ni3 P3
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	15.101 ± 0.002 Å
b	15.101 ± 0.002 Å
c	12.0727 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	2384.2 ± 0.6 Å³
Cell temperature	149.99 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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