Crystallography Open Database

Information card for entry 4334527

Preview

Coordinates	4334527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116.69 H123.48 Cl1.77 Fe N7.9 O P
Calculated formula	C116.688 H123.474 Cl1.768 Fe N7.902 O P
Title of publication	Generation of a High-Valent Iron Imido Corrolazine Complex and NR Group Transfer Reactivity
Authors of publication	Pannee Leeladee; Guy N. L. Jameson; Maxime A. Siegler; Devesh Kumar; Sam P. de Visser; David P. Goldberg
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4668 - 4682
a	17.2614 ± 0.0008 Å
b	33.4143 ± 0.0011 Å
c	19.9714 ± 0.0008 Å
α	90°
β	102.61 ± 0.004°
γ	90°
Cell volume	11241.2 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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