Crystallography Open Database

Information card for entry 4309204

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Coordinates	4309204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Co N5 O6
Calculated formula	C16 H27 Co N5 O6
Title of publication	Corroborative Models of the Cobalt(II) Inhibited Fe/Mn Superoxide Dismutases
Authors of publication	Marciela Scarpellini; Amy J. Wu; Jeff W. Kampf; Vincent L. Pecoraro
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5001 - 5010
a	7.774 ± 0.0008 Å
b	10.7088 ± 0.0012 Å
c	12.7012 ± 0.0014 Å
α	87.08 ± 0.002°
β	86.868 ± 0.002°
γ	74.185 ± 0.002°
Cell volume	1015.12 ± 0.19 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0337
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0803
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	No
Has F_obs	No

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