Crystallography Open Database

Information card for entry 7128079

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Coordinates	7128079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 N3 O3 W
Calculated formula	C8.9998 H5.9998 N3 O3 W
Title of publication	Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.
Authors of publication	Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	32
Pages of publication	3861 - 3864
a	17.8974 ± 0.0007 Å
b	9.9861 ± 0.0005 Å
c	6.7067 ± 0.0003 Å
α	90°
β	90.482 ± 0.004°
γ	90°
Cell volume	1198.61 ± 0.09 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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