Crystallography Open Database

Information card for entry 7226500

Preview

Coordinates	7226500.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C55 H45 Cu7 I7 N13 O22.5 Pr3
Calculated formula	C55 H45 Cu7 I7 N13 O22.5 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	15.0627 ± 0.001 Å
b	16.6949 ± 0.0011 Å
c	18.0047 ± 0.0012 Å
α	115.295 ± 0.001°
β	101.985 ± 0.001°
γ	90.845 ± 0.001°
Cell volume	3976.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188092 (current)	2016-11-08	cif/ Updating files of 7226499, 7226500, 7226501, 7226502, 7226503, 7226504, 7226505 Original log message: Adding full bibliography for 7226499--7226505.cif.	7226500.cif
186310	2016-09-09	cif/ Adding structures of 7226499, 7226500, 7226501, 7226502, 7226503, 7226504, 7226505 via cif-deposit CGI script.	7226500.cif