Crystallography Open Database

Information card for entry 4509902

Preview

Coordinates	4509902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H96 N12 O79 P12 Zn11
Calculated formula	C168 H96 N12 O79 P12 Zn11
Title of publication	Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations
Authors of publication	Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	410
a	34.0012 ± 0.003 Å
b	34.0012 ± 0.003 Å
c	154.0023 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	154186 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.2588
Residual factor for significantly intense reflections	0.1401
Weighted residual factors for significantly intense reflections	0.351
Weighted residual factors for all reflections included in the refinement	0.4341
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509902.cif
104116	2014-03-10	cif/ Adding structures of 4509902 via cif-deposit CGI script.	4509902.cif