Crystallography Open Database

Information card for entry 7119370

7119369 << 7119370 >> 7119371

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Coordinates	7119370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H43 Fe N4 O11 S
Calculated formula	C35 H43 Fe N4 O11 S
Title of publication	Toward biocompatible dinitrosyl iron complexes: sugar-appended thiolates.
Authors of publication	Pulukkody, Randara; Chupik, Rachel B.; Montalvo, Steven K.; Khan, Sarosh; Bhuvanesh, Nattamai; Lim, Soon-Mi; Darensbourg, Marcetta Y.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	6
Pages of publication	1180 - 1183
a	9.0301 ± 0.0013 Å
b	16.641 ± 0.002 Å
c	25.46 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3825.9 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0414
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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