Crystallography Open Database

Information card for entry 7132960

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Coordinates	7132960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Mn N O4
Calculated formula	C14 H8 Mn N O4
Title of publication	Manganese(I)-Catalyzed Nucleophilic Addition of C(sp3)-H Bonds to Aldehydes
Authors of publication	Liu, Hongxin; Tang, Tingyu; Li, Bin; Wang, Baiquan
Journal of publication	Chemical Communications
Year of publication	2024
a	7.631 ± 0.00018 Å
b	8.00772 ± 0.00017 Å
c	20.9823 ± 0.0005 Å
α	90°
β	98.411 ± 0.002°
γ	90°
Cell volume	1268.37 ± 0.05 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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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