Crystallography Open Database

Information card for entry 4103981

Preview

Coordinates	4103981.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	08016
Formula	C29 H63 Cu3 F6 N9 O6 S4
Calculated formula	C29 H63 Cu3 F6 N9 O6 S4
Title of publication	Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster
Authors of publication	Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2812 - 2814
a	23.7547 ± 0.0009 Å
b	12.9647 ± 0.0005 Å
c	29.9129 ± 0.0011 Å
α	90°
β	96.992 ± 0.001°
γ	90°
Cell volume	9143.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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