Crystallography Open Database

Information card for entry 7009179

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Coordinates	7009179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Fe N6
Calculated formula	C60 H76 Fe N6
Title of publication	Synthesis and reactivity of sterically hindered iminopyrrolato complexes of zirconium, iron, cobalt and nickel
Authors of publication	Dawson, David M.; Walker, Dennis A.; Thornton-Pett, Mark; Bochmann, Manfred
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	4
Pages of publication	459
a	10.6498 ± 0.0001 Å
b	21.2477 ± 0.0002 Å
c	24.3318 ± 0.0003 Å
α	90°
β	97.292 ± 0.0005°
γ	90°
Cell volume	5461.36 ± 0.1 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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