Crystallography Open Database

Information card for entry 1549550

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Coordinates	1549550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H5.2 Cu O4.6 P
Calculated formula	C H2 Cu O4.6 P
Title of publication	A Novel Three-Dimensional Copper(II) 1,2-Ethylenediphosphonate Framework with Channel-like Voids
Authors of publication	Köferstein, Roberto; Arnold, Michael; Robl, Christian
Journal of publication	Zeitschrift für anorganische und allgemeine Chemie
Year of publication	2016
Journal volume	642
Journal issue	19
Pages of publication	1126
a	14.836 ± 0.002 Å
b	6.6844 ± 0.0008 Å
c	4.363 ± 0.0006 Å
α	90°
β	93.28 ± 0.02°
γ	90°
Cell volume	431.97 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for all reflections	0.1156
Weighted residual factors for significantly intense reflections	0.1124
Goodness-of-fit parameter for all reflections	1.368
Goodness-of-fit parameter for significantly intense reflections	1.418
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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