Crystallography Open Database

Information card for entry 7211485

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Coordinates	7211485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 Co N O5
Calculated formula	C14 H11 Co N O5
Title of publication	Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates
Authors of publication	Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	48
Pages of publication	10611
a	7.1654 ± 0.0003 Å
b	18.5414 ± 0.0008 Å
c	10.8922 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1447.1 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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