Crystallography Open Database

Information card for entry 7128077

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Coordinates	7128077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Mo N3 O3
Calculated formula	C9 H6 Mo N3 O3
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	16.2253 ± 0.0005 Å
b	16.2253 ± 0.0005 Å
c	16.2253 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4271.5 ± 0.2 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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