Crystallography Open Database

Information card for entry 7016947

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Coordinates	7016947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H125 Co N15 O28.5 P
Calculated formula	C79 H110 Co N15 O28.5 P
Title of publication	Coordination chemistry and biological activity of 5'-OH modified quinoline-B12 derivatives.
Authors of publication	Zelenka, Karel; Brandl, Helmut; Spingler, Bernhard; Zelder, Felix
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	38
Pages of publication	9665 - 9667
a	15.75386 ± 0.00017 Å
b	22.557 ± 0.0003 Å
c	25.5975 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9096.32 ± 0.19 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
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	0.0707
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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