Crystallography Open Database

Information card for entry 4069246

Preview

Coordinates	4069246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 B F4 Mo N2 O4
Calculated formula	C13 H13 B F4 Mo N2 O4
Title of publication	Ring-Functionalized Molybdenocene Complexes
Authors of publication	Honzíček, Jan; Mukhopadhyay, Abhik; Santos-Silva, Teresa; Romão, Maria J.; Romão, Carlos C.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	9
Pages of publication	2871
a	6.418 ± 0.0013 Å
b	11.568 ± 0.002 Å
c	11.538 ± 0.002 Å
α	90°
β	97.91 ± 0.03°
γ	90°
Cell volume	848.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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