Crystallography Open Database

Information card for entry 7716538

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Coordinates	7716538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H86 Cl Mn2 N12 O19 Ru
Calculated formula	C49 H30 Cl Mn2 N4 O11 Ru
Title of publication	A Ru-porphyrin metal-organic framework with Mn<sup>2+</sup> paddlewheel nodes for the selective oxidation of C(sp<sup>3</sup>)-H bonds.
Authors of publication	Xiao, Xiang; Shen, Kesheng; Jing, Xu; Duan, Chunying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	30
Pages of publication	12604 - 12609
a	9.951 ± 0.003 Å
b	23.683 ± 0.005 Å
c	19.487 ± 0.005 Å
α	90°
β	101.8 ± 0.014°
γ	90°
Cell volume	4495 ± 2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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