Crystallography Open Database

Information card for entry 7226504

Preview

Coordinates	7226504.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6
Formula	C58.6 H40 Cu12 I12 K N10 O30.4 Pr3
Calculated formula	C58.6 H40 Cu12 I12 K N10 O30.4 Pr3
Title of publication	An alkali-ion insertion approach to structurally transform metal‒organic frameworks
Authors of publication	Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7680
a	30.332 ± 0.004 Å
b	46.354 ± 0.006 Å
c	18.13 ± 0.003 Å
α	90°
β	116.729 ± 0.002°
γ	90°
Cell volume	22767 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.223
Residual factor for significantly intense reflections	0.1302
Weighted residual factors for significantly intense reflections	0.3437
Weighted residual factors for all reflections included in the refinement	0.4407
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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