Crystallography Open Database

Information card for entry 7037528

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Coordinates	7037528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H117 Co N16 O26 P
Calculated formula	C68 H95 Co N16 O15 P
Title of publication	N-Nitrosamine-{cis-Re[CO]2}(2+) cobalamin conjugates as mixed CO/NO-releasing molecules.
Authors of publication	Santoro, Giuseppe; Beltrami, Ruben; Kottelat, Emmanuel; Blacque, Olivier; Bogdanova, Anna Yu; Zobi, Fabio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1504 - 1513
a	16.2518 ± 0.0004 Å
b	21.2575 ± 0.0008 Å
c	25.0707 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8661.2 ± 0.5 Å³
Cell temperature	183 ± 1 K
Ambient diffraction temperature	183 ± 1 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	0.1458
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.2782
Weighted residual factors for all reflections included in the refinement	0.3167
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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