Crystallography Open Database

Information card for entry 1551724

Preview

Coordinates	1551724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 B2 N6 Ni O6
Calculated formula	C66 H82 B2 N6 Ni O6
SMILES	[Ni]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group
Authors of publication	YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2011
Journal volume	27
Pages of publication	71
a	30.2714 ± 0.0005 Å
b	9.26438 ± 0.0001 Å
c	22.0462 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6182.76 ± 0.17 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216336 (current)	2019-06-20	cif/ Adding structures of 1551724 via cif-deposit CGI script.	1551724.cif