Crystallography Open Database

Information card for entry 7017495

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Coordinates	7017495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C155 H218 Co2 N32 O51 P2
Calculated formula	C155 H218 Co2 N32 O51 P2
Title of publication	17 e- rhenium dicarbonyl CO-releasing molecules on a cobalamin scaffold for biological application.
Authors of publication	Zobi, Fabio; Blacque, Olivier; Jacobs, Robert A.; Schaub, Marcus C.; Bogdanova, Anna Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	2
Pages of publication	370 - 378
a	15.5066 ± 0.0004 Å
b	22.9558 ± 0.0007 Å
c	25.1741 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8961.1 ± 0.4 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	0.1474
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	0.891
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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