Crystallography Open Database

Information card for entry 7118242

Preview

Coordinates	7118242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 In N2 O8
Calculated formula	C40 H24 In N2 O8
Title of publication	The dynamic response of a flexible indium based metal-organic framework to gas sorption.
Authors of publication	Li, Xingjun; Chen, Xueyuan; Jiang, Feilong; Chen, Lian; Lu, Shan; Chen, Qihui; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	11
Pages of publication	2277 - 2280
a	26.9793 ± 0.0006 Å
b	21.3293 ± 0.0004 Å
c	26.4721 ± 0.0005 Å
α	90°
β	97.001 ± 0.002°
γ	90°
Cell volume	15119.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
175879 (current)	2016-02-04	cif/ Updating files of 7118241, 7118242 Original log message: Adding full bibliography for 7118241--7118242.cif.	7118242.cif
173472	2016-01-05	cif/ Adding structures of 7118241, 7118242 via cif-deposit CGI script.	7118242.cif