Crystallography Open Database

Information card for entry 7215205

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Coordinates	7215205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Cu N6 O8 P2
Calculated formula	C33 H34 Cu N6 O8 P2
Title of publication	Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality
Authors of publication	Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6635
a	21.6074 ± 0.0006 Å
b	14.0197 ± 0.0004 Å
c	14.471 ± 0.0004 Å
α	90°
β	117.832 ± 0.002°
γ	90°
Cell volume	3876.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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