Crystallography Open Database

Information card for entry 1551667

Preview

Coordinates	1551667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 B3 Co2 F13 N8 O2
Calculated formula	C36 H36 B3 Co2 F13 N8 O2
SMILES	[Co]1234([F][Co]567(OO1)[N](Cc1[n]5cccc1)(Cc1[n]6cccc1)Cc1[n]7cccc1)[N](Cc1[n]2cccc1)(Cc1[n]3cccc1)Cc1[n]4cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Crystal Structure of a Dinuclear Co Complex with Doubly Bridged Fluoride and Peroxo Ligands: ^\|^mu;-fluoro ^\|^mu;-peroxo bis{tris(2-pyridylmethyl)amine} dicobalt(III) tris(tetrafluoroborate), [Co2(^\|^mu;-F)(^\|^mu;-O2)(tpa)2](BF4)3
Authors of publication	SUENAGA, Yusaku; INOMATA, Masataka; UWAI, Kazuya; OKUDA, Koji; OKUBO, Takashi; MAEKAWA, Masahiko; KURODA-SOWA, Takayoshi
Journal of publication	X-ray Structure Analysis Online
Year of publication	2014
Journal volume	30
Journal issue	0
Pages of publication	57
a	10.452 ± 0.003 Å
b	12.529 ± 0.003 Å
c	16.708 ± 0.005 Å
α	106.41 ± 0.004°
β	106.916 ± 0.004°
γ	90.2807 ± 0.0013°
Cell volume	1999 ± 1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
216278 (current)	2019-06-20	cif/ Adding structures of 1551667 via cif-deposit CGI script.	1551667.cif