Crystallography Open Database

Information card for entry 4078317

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Coordinates	4078317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H72 Fe8 O16 Si8
Calculated formula	C72 H72 Fe8 O16 Si8
Title of publication	Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2
Authors of publication	Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	10
Pages of publication	4046
a	16.478 ± 0.009 Å
b	9.777 ± 0.006 Å
c	12.313 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1984 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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