Crystallography Open Database

Information card for entry 4514391

Preview

Coordinates	4514391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H44 Cd2 N4 O8
Calculated formula	C70 H44 Cd2 N4 O8
Title of publication	Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.
Authors of publication	Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	6
Pages of publication	5633 - 5640
a	16.8306 ± 0.0002 Å
b	39.0579 ± 0.0005 Å
c	18.7533 ± 0.0004 Å
α	90°
β	95.975 ± 0.002°
γ	90°
Cell volume	12260.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2383
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
227494 (current)	2019-11-12	cif/ Updating files of 4514390, 4514391 Original log message: Adding full bibliography for 4514390--4514391.cif.	4514391.cif
206312	2018-02-09	cif/ Adding structures of 4514391 via cif-deposit CGI script.	4514391.cif