Crystallography Open Database

Information card for entry 4118654

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Coordinates	4118654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H70 Cl4 Cr2 N8 O12
Calculated formula	C24 H70 Cl4 Cr2 N8 O12
Title of publication	Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity
Authors of publication	Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15269 - 15272
a	8.747 ± 0.0003 Å
b	13.3414 ± 0.0004 Å
c	17.967 ± 0.0006 Å
α	84.462 ± 0.002°
β	78.305 ± 0.002°
γ	87.034 ± 0.002°
Cell volume	2042.48 ± 0.12 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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