Crystallography Open Database

Information card for entry 4065004

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Coordinates	4065004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Mo O4
Calculated formula	C13 H12 Mo O4
Title of publication	Synthesis and Reactivity of Molybdenum Complexes Containing Functionalized Alkynyl Ligands: A Photochemically Activated CO-Releasing Molecule (PhotoCO-RM)
Authors of publication	Zhang, Wei-Qiang; Atkin, Anthony J.; Fairlamb, Ian J. S.; Whitwood, Adrian C.; Lynam, Jason M.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	17
Pages of publication	4643
a	6.5791 ± 0.0004 Å
b	8.2078 ± 0.0005 Å
c	12.1346 ± 0.0008 Å
α	90.36 ± 0.001°
β	95.58 ± 0.001°
γ	92.212 ± 0.001°
Cell volume	651.64 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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