Crystallography Open Database

Information card for entry 1512467

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Coordinates	1512467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H102 Mo2 N8 O11 P4
Calculated formula	C57 H44 Mo N4 O5.5 P2
Title of publication	Endiol ligand formation from 2-pyridinecarboxaldehyde on a Mo(IV) centre. The X-ray crystal structure and properties of the Mo(IV) binuclear complex
Authors of publication	Janusz Szklarzewicz; Katarzyna Stadnicka
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	131 - 136
a	12.2491 ± 0.0002 Å
b	15.3704 ± 0.0003 Å
c	16.5693 ± 0.0003 Å
α	105.744 ± 0.0006°
β	105.875 ± 0.0007°
γ	108.035 ± 0.0006°
Cell volume	2628.12 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1432
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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