Crystallography Open Database

Information card for entry 4518696

Preview

Coordinates	4518696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 In2 O14
Calculated formula	C16 H10 In2 O14
Title of publication	A New Molecular Recognition Concept: Multiple Hydrogen Bonds and Their Optically Triggered Proton Transfer in Confined Metal-Organic Frameworks for Superior Sensing Element.
Authors of publication	Lei, Jiao; Wang, Bingqiang; Li, Yong-Peng; Ji, Wen-Juan; Wang, Ke; Qi, Honglan; Chou, Pi-Tai; Zhang, Miao-Miao; Bian, Hongtao; Zhai, Quan-Guo
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	19
Pages of publication	22457 - 22465
a	37.1792 ± 0.0017 Å
b	23.4037 ± 0.0012 Å
c	7.155 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6225.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265743 (current)	2021-06-04	cif/ Updating files of 4518696 Original log message: Adding full bibliography for 4518696.cif.	4518696.cif
265074	2021-05-11	cif/ Adding structures of 4518696 via cif-deposit CGI script.	4518696.cif