Crystallography Open Database

Information card for entry 4306793

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Coordinates	4306793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H11 Mn N2 O4 P
Calculated formula	C7 H11 Mn N2 O4 P
Title of publication	Chiral-Layered Metal Phosphonate Formed via Spontaneous Resolution Showing Dehydration-Induced Antiferromagnetic to Ferromagnetic Transformation
Authors of publication	Shou-Zeng Hou; Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10211 - 10213
a	5.0875 ± 0.001 Å
b	10.437 ± 0.002 Å
c	9.5129 ± 0.0019 Å
α	90°
β	90.683 ± 0.004°
γ	90°
Cell volume	505.08 ± 0.17 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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