Crystallography Open Database

Information card for entry 7001504

Preview

Coordinates	7001504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C175 H181 Mn13 N8 O68 P10
Calculated formula	C175 H181 Mn13 N8 O68 P10
Title of publication	Mixed-valent manganese phosphonate clusters prepared under microwave-assisted and ambient conditions
Authors of publication	Li, Jin-Tang; Ma, Yun-Sheng; Li, Shao-Gang; Cao, Deng-Ke; Li, Yi-Zhi; Song, You; Zheng, Li-Min
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	25
Pages of publication	5029 - 5034
a	27.879 ± 0.016 Å
b	27.879 ± 0.016 Å
c	32.24 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	21701 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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