Crystallography Open Database

Information card for entry 4316921

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Coordinates	4316921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H115 Co Cs N17 O20 P S
Calculated formula	C72 H83 Co Cs0.1439 N16.371 O33.23 P S0.913
Title of publication	The X-Ray Crystal Structure of Glutathionylcobalamin Revealed
Authors of publication	Luciana Hannibal; Clyde A. Smith; Donald W. Jacobsen
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9921 - 9927
a	16.23 ± 0.001 Å
b	21.08 ± 0.001 Å
c	25.78 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8820.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.78468 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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