Crystallography Open Database

Information card for entry 4069967

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Coordinates	4069967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H98 Fe2
Calculated formula	C82 H98 Fe2
Title of publication	Transition Metal Acetylide Rearrangement and Coupling Induced by Coordinative Unsaturation
Authors of publication	Ni, Chengbao; Long, Gary J.; Power, Philip P.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5012
a	11.6492 ± 0.0006 Å
b	12.4385 ± 0.0007 Å
c	23.9709 ± 0.0013 Å
α	79.751 ± 0.001°
β	84.532 ± 0.001°
γ	70.723 ± 0.001°
Cell volume	3223.8 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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