Crystallography Open Database

Information card for entry 7042211

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Structure parameters

Common name	NiNR2 + DBP
Formula	C38 H52 N2 Ni O2
Calculated formula	C38 H52 N2 Ni O2
SMILES	[Ni](Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(C(C)(C)C)cccc1C(C)(C)C)([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	14.5737 ± 0.0006 Å
b	10.2425 ± 0.0004 Å
c	22.9227 ± 0.0009 Å
α	90°
β	99.204 ± 0.002°
γ	90°
Cell volume	3377.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1053
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	7042211.cif
192475	2017-02-23	cif/ Adding structures of 7042206, 7042207, 7042208, 7042209, 7042210, 7042211 via cif-deposit CGI script.	7042211.cif