Crystallography Open Database

Information card for entry 7022636

Preview

Coordinates	7022636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H54 Mn3 N8 O14
Calculated formula	C78 H54 Mn3 N8 O14
Title of publication	New two-dimensional Mn(II) metal-organic framework featured spin canting.
Authors of publication	Chen, Xin; Wang, Yao-Yu; Liu, Bin; Yin, Bing; Liu, Ping; Shi, Qi-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	19
Pages of publication	7092 - 7100
a	11.4021 ± 0.0015 Å
b	11.888 ± 0.003 Å
c	13.5025 ± 0.0016 Å
α	103.486 ± 0.003°
β	112.845 ± 0.002°
γ	93.903 ± 0.003°
Cell volume	1614.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1205
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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