Crystallography Open Database

Information card for entry 7702130

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Coordinates	7702130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H68 Br Fe N8
Calculated formula	C60 H68 Br Fe N8
Title of publication	Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.
Authors of publication	Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	18
Pages of publication	5955 - 5964
a	23.9792 ± 0.001 Å
b	29.3525 ± 0.0012 Å
c	18.8532 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	13269.8 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.875
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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