Crystallography Open Database

Information card for entry 7131735

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Coordinates	7131735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H96 Mg4 N4 O4
Calculated formula	C66 H96 Mg4 N4 O4
Title of publication	A tetranuclear magnesium hydride cluster with a four-coordinate hydride in near square-planar geometry.
Authors of publication	Seifert, Fabian; Görls, Helmar; Kupfer, Stephan; Kretschmer, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	49
Pages of publication	7627 - 7630
a	8.6237 ± 0.0002 Å
b	16.238 ± 0.0004 Å
c	23.7002 ± 0.0007 Å
α	104.51 ± 0.001°
β	97.671 ± 0.001°
γ	91.644 ± 0.002°
Cell volume	3177.49 ± 0.14 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1045
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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