Crystallography Open Database

Information card for entry 1561478

Preview

Coordinates	1561478.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(C28H31N6O)Co2(CH3CO2)(MeO)(ClO4)2(MeOH)0.75(MeCN)0.25
Formula	C32.25 H40.75 Cl2 Co2 N6.25 O12.75
Calculated formula	C32.25 H40.75 Cl2 Co2 N6.25 O12.75
Title of publication	Synthesis and Crystal Structure of (μ-Acetato)bis(μ-Alkoxo)dicobalt(II, III) Complex with an Unsymmetric Dinucleating Ligand
Authors of publication	SHINDE, Naho; HANDA, Ryunosuke; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu
Journal of publication	X-ray Structure Analysis Online
Year of publication	2021
Journal volume	37
Journal issue	0
Pages of publication	13 - 14
a	10.4372 ± 0.0004 Å
b	27.8578 ± 0.001 Å
c	13.5496 ± 0.0005 Å
α	90°
β	102.812 ± 0.001°
γ	90°
Cell volume	3841.6 ± 0.2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263864 (current)	2021-04-05	cif/ Adding structures of 1561478 via cif-deposit CGI script.	1561478.cif