Crystallography Open Database

Information card for entry 7042208

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Structure parameters

Common name	NiDPhP
Formula	C46 H36 N2 Ni O2
Calculated formula	C46 H36 N2 Ni O2
SMILES	[Ni](Oc1c(c2ccccc2)cccc1c1ccccc1)(Oc1c(c2ccccc2)cccc1c1ccccc1)([n]1ccccc1)[n]1ccccc1
Title of publication	Synthesis and characterization of a series of nickel(II) alkoxide precursors and their utility for Ni(0) nanoparticle production
Authors of publication	Treadwell, LaRico J.; Boyle, Timothy J.; Phelan, W. Adam; Parkes, Marie V.; Young, David P.
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.6216 ± 0.0006 Å
b	15.5037 ± 0.001 Å
c	19.9185 ± 0.0012 Å
α	90°
β	92.902 ± 0.002°
γ	90°
Cell volume	3584.3 ± 0.4 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7042208.cif
192475	2017-02-23	cif/ Adding structures of 7042206, 7042207, 7042208, 7042209, 7042210, 7042211 via cif-deposit CGI script.	7042208.cif