Crystallography Open Database

Information card for entry 7036813

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Coordinates	7036813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cu N O4 P
Calculated formula	C6 H8 Cu N O4 P
Title of publication	Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.
Authors of publication	Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	44
Pages of publication	19256 - 19263
a	8.6107 ± 0.0006 Å
b	9.9794 ± 0.0007 Å
c	18.6737 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1604.62 ± 0.19 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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