Crystallography Open Database

Information card for entry 4334244

Preview

Coordinates	4334244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 N6 Nd O10
Calculated formula	C21 H27 N6 Nd O10
Title of publication	Cation Sensing by a Luminescent Metal-Organic Framework with Multiple Lewis Basic Sites
Authors of publication	Qun Tang; Shuxia Liu; Yiwei Liu; Jun Miao; Shujun Li; Li Zhang; Zhan Shi; Zhiping Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2799 - 2801
a	16.5888 ± 0.0007 Å
b	26.7362 ± 0.001 Å
c	8.1881 ± 0.0003 Å
α	90°
β	100.939 ± 0.004°
γ	90°
Cell volume	3565.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1705
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334244.cif
100059	2014-02-04	cif/ Adding structures of 4334244 via cif-deposit CGI script.	4334244.cif