Crystallography Open Database

Information card for entry 7111599

Preview

Coordinates	7111599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Co
Calculated formula	C60 H74 Co
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Co]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Unusual magnetic properties of a two-coordinate heteroleptic linear cobalt(ii) complex
Authors of publication	Ni, Chengbao; Stich, Troy A.; Long, Gary J.; Power, Philip P.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4466 - 4468
a	15.6649 ± 0.0006 Å
b	15.9068 ± 0.0006 Å
c	19.7416 ± 0.0008 Å
α	90°
β	93.675 ± 0.001°
γ	90°
Cell volume	4909.1 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111599.cif
96693	2014-01-29	cif/ Adding structures of 7111598, 7111599 via cif-deposit CGI script.	7111599.cif