Crystallography Open Database

Information card for entry 7226502

Preview

Coordinates	7226502.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Pr
Formula	C69 H70 Cu12 I12 N14 O23 Pr3
Calculated formula	C69 H70 Cu12 I12 N14 O23 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	15.095 ± 0.0004 Å
b	25.0532 ± 0.0008 Å
c	29.7588 ± 0.0008 Å
α	90°
β	107.936 ± 0.001°
γ	90°
Cell volume	10707.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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