Crystallography Open Database

Information card for entry 7210843

Preview

Coordinates	7210843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H58 Mn7 N13 O50
Calculated formula	C85 H58 Mn7 N13 O50
Title of publication	Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands
Authors of publication	Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	7121
a	28.1955 ± 0.0019 Å
b	14.1957 ± 0.001 Å
c	33.3812 ± 0.0017 Å
α	90°
β	135.955 ± 0.003°
γ	90°
Cell volume	9288.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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