Crystallography Open Database

Information card for entry 7128078

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Coordinates	7128078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Cr N3 O3
Calculated formula	C9 H6 Cr 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	15.8757 ± 0.0006 Å
b	15.8757 ± 0.0006 Å
c	15.8757 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4001.3 ± 0.3 Å³
Cell temperature	119.99 ± 0.1 K
Ambient diffraction temperature	119.99 ± 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	0.0436
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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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