Crystallography Open Database

Information card for entry 4337760

Preview

Coordinates	4337760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Co0.85 O2
Calculated formula	C60 H74 Co0.846 O2
Title of publication	Synthesis, Structural, Spectroscopic, and Magnetic Characterization of Two-Coordinate Cobalt(II) Aryloxides with Bent or Linear Coordination.
Authors of publication	Bryan, Aimee M.; Long, Gary J.; Grandjean, Fernande; Power, Philip P.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2692 - 2698
a	10.7365 ± 0.0008 Å
b	20.2062 ± 0.0015 Å
c	11.1732 ± 0.0009 Å
α	90°
β	90.411 ± 0.0011°
γ	90°
Cell volume	2423.9 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179480 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/77.	4337760.cif
107718	2014-03-22	cif/ Adding structures of 4337758, 4337759, 4337760 via cif-deposit CGI script.	4337760.cif