Crystallography Open Database

Information card for entry 7042207

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Structure parameters

Common name	NioPP2Py3
Formula	C38 H42 N4 Ni O2
Calculated formula	C38 H42 N4 Ni O2
SMILES	c1(ccccc1C(C)C)O[Ni]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)Oc1ccccc1C(C)C
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	9.5179 ± 0.0005 Å
b	14.6472 ± 0.0008 Å
c	15.7614 ± 0.0008 Å
α	90°
β	105.031 ± 0.002°
γ	90°
Cell volume	2122.13 ± 0.19 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	0.0569
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7042207.cif
192475	2017-02-23	cif/ Adding structures of 7042206, 7042207, 7042208, 7042209, 7042210, 7042211 via cif-deposit CGI script.	7042207.cif