Crystallography Open Database

Information card for entry 7046731

Preview

Coordinates	7046731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H57 N4 O4 W0.5
Calculated formula	C44 H55 N4 O4 W0.5
Title of publication	Cooperative bimetallic reactivity of a heterodinuclear molybdenum-copper model of Mo-Cu CODH.
Authors of publication	Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Lord, Richard L.; Groysman, Stanislav
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	30
Pages of publication	10017 - 10024
a	46.586 ± 0.005 Å
b	9.6827 ± 0.0007 Å
c	17.8776 ± 0.0013 Å
α	90°
β	90.11 ± 0.006°
γ	90°
Cell volume	8064.2 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1848
Goodness-of-fit parameter for all reflections included in the refinement	1.1605
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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