Crystallography Open Database

Information card for entry 7216045

Preview

Coordinates	7216045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Cu O8 P2
Calculated formula	C8 H14 Cu O8 P2
Title of publication	Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates
Authors of publication	Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	7043
a	5.1671 ± 0.001 Å
b	6.3007 ± 0.0012 Å
c	10.029 ± 0.003 Å
α	75.102 ± 0.005°
β	84.496 ± 0.01°
γ	76.61 ± 0.003°
Cell volume	306.72 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0471
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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