Crystallography Open Database

Information card for entry 1551687

Preview

Coordinates	1551687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 B2 Mn N6 O6
Calculated formula	C66 H82 B2 Mn N6 O6
SMILES	[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(N(C)C)=[O][Mn]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Crystal Structure of a Trigonally Compressed Hexakis-DMF Manganese(II) Complex
Authors of publication	SUZUKI, Ryo; CHIBA, Yukako; YAMAGUCHI, Ryo; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2013
Journal volume	29
Journal issue	0
Pages of publication	11
a	10.0628 ± 0.0016 Å
b	12.1027 ± 0.0019 Å
c	14.881 ± 0.002 Å
α	112.191 ± 0.003°
β	93.081 ± 0.003°
γ	108.055 ± 0.003°
Cell volume	1565.1 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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	0.054
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
216298 (current)	2019-06-20	cif/ Adding structures of 1551687 via cif-deposit CGI script.	1551687.cif