Crystallography Open Database

Information card for entry 1551620

Preview

Coordinates	1551620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H84 B3 N3 Ni O7
Calculated formula	C69 H84 B3 N3 Ni O7
SMILES	[Ni]1234([OH]CC[NH]3CC[OH]1)[OH]CC[NH]4CC[OH]2.O1CC[NH]2CCO[B]12c1ccccc1.OC(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Structure of Bis(2,2′-iminodiethanol-<i>N</i>,<i>O</i>,<i>O</i>′)-Nickel(II) Hydrogen-Bonded to an Organoboron Coordination Complex
Authors of publication	YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2015
Journal volume	31
Journal issue	0
Pages of publication	19
a	11.8846 ± 0.0012 Å
b	14.5812 ± 0.0011 Å
c	20.235 ± 0.002 Å
α	73.031 ± 0.005°
β	84.561 ± 0.006°
γ	66.297 ± 0.005°
Cell volume	3069.9 ± 0.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.04
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216231 (current)	2019-06-20	cif/ Adding structures of 1551620 via cif-deposit CGI script.	1551620.cif