Crystallography Open Database

Information card for entry 4309202

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Coordinates	4309202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H35 Co N3 O6
Calculated formula	C16 H35 Co N3 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	30.357 ± 0.003 Å
b	8.156 ± 0.0009 Å
c	16.9803 ± 0.0018 Å
α	90°
β	107.095 ± 0.002°
γ	90°
Cell volume	4018.4 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0464
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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