Crystallography Open Database

Information card for entry 4076251

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Coordinates	4076251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H81 Mo2 N7 O9
Calculated formula	C50 H81 Mo2 N7 O9
Title of publication	Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]
Authors of publication	Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	6
Pages of publication	1352
a	11.8918 ± 0.0008 Å
b	17.5341 ± 0.0012 Å
c	26.0493 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5431.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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