Crystallography Open Database

Information card for entry 1551639

Preview

Coordinates	1551639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H70 B2 Co N6 O6
Calculated formula	C60 H70 B2 Co N6 O6
SMILES	[Co]([O]=CNC)([O]=CNC)([O]=CNC)([O]=CNC)([O]=CNC)[O]=CNC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Structural Feature of an Hexakis-<i>N</i>-methylformamide Cobalt(II) Complex: <i>Pseudo</i>-<i>S</i><sub>6</sub> and <i>Pseudo</i>-<i>C</i><sub>2</sub> Complex Cations
Authors of publication	YAMAGUCHI, Ryo; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2015
Journal volume	31
Journal issue	0
Pages of publication	7
a	10.9801 ± 0.0015 Å
b	22.581 ± 0.003 Å
c	23.805 ± 0.003 Å
α	72.198 ± 0.002°
β	87.088 ± 0.002°
γ	88.497 ± 0.003°
Cell volume	5612 ± 1.3 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	0.0769
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	0.808
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
216250 (current)	2019-06-20	cif/ Adding structures of 1551639 via cif-deposit CGI script.	1551639.cif