Crystallography Open Database

Information card for entry 4124562

Preview

Coordinates	4124562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 N3 O7 Tb
Calculated formula	C12 H6 N3 O7 Tb
Title of publication	A Mixed-Crystal Lanthanide Zeolite-like Metal-Organic Framework as a Fluorescent Indicator for Lysophosphatidic Acid, a Cancer Biomarker.
Authors of publication	Zhang, Shi-Yuan; Shi, Wei; Cheng, Peng; Zaworotko, Michael J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	38
Pages of publication	12203 - 12206
a	29.2095 ± 0.0007 Å
b	29.2095 ± 0.0007 Å
c	29.2095 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	24921.4 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.1397
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1765
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124562.cif
159583	2015-10-05	cif/ Adding structures of 4124562 via cif-deposit CGI script.	4124562.cif