Crystallography Open Database

Information card for entry 4075555

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Coordinates	4075555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36 F12 Fe2 P2
Calculated formula	C31 H36 F12 Fe2 P2
Title of publication	Bulk Synthesis of Octa- and Nonamethylfluorene (Flu‘ ‘H and FluH) and the Characterization of the Organometallic Derivatives FluSnMe3, [(FeCp)2Flu*H][PF6]2, and [(FeCp)2Flu‘ ‘H][PF6]2
Authors of publication	Moss, James; Thomas, Jemima; Ashley, Andrew; Cowley, Andrew R.; O'Hare, Dermot
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4279
a	13.3125 ± 0.0003 Å
b	17.3087 ± 0.0005 Å
c	6.7634 ± 0.0002 Å
α	90°
β	98.294 ± 0.0012°
γ	90°
Cell volume	1542.14 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Sample thermal history	The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for all reflections	0.0648
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.0821
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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