Crystallography Open Database

Information card for entry 4105489

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Coordinates	4105489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H68 Co N6 O8
Calculated formula	C50 H68 Co N6 O8
Title of publication	Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization
Authors of publication	Martin L. Kirk; David A. Shultz; Robert D. Schmidt; Diana Habel-Rodriguez; Hyoyoung Lee; Junghyun Lee
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	18304 - 18313
a	12.674 ± 0.003 Å
b	13.515 ± 0.003 Å
c	16.916 ± 0.004 Å
α	93.453 ± 0.016°
β	104.094 ± 0.016°
γ	113.797 ± 0.013°
Cell volume	2530 ± 1.1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.287
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.2306
Goodness-of-fit parameter for all reflections included in the refinement	0.665
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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