Crystallography Open Database

Information card for entry 7037529

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Coordinates	7037529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C139 H242 Co2 N34 O56 P2
Calculated formula	C136 H190 Co2 N34 O32 P2
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	15.6019 ± 0.0004 Å
b	21.4078 ± 0.0004 Å
c	28.0537 ± 0.0007 Å
α	90°
β	95.299 ± 0.002°
γ	90°
Cell volume	9330 ± 0.4 Å³
Cell temperature	183 ± 1 K
Ambient diffraction temperature	183 ± 1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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