Crystallography Open Database

Information card for entry 4109473

Preview

Coordinates	4109473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 O13 Zn4
Calculated formula	C48 H30 O13 Zn4
Title of publication	Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks
Authors of publication	Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7136 - 7144
a	30.317 ± 0.012 Å
b	19.411 ± 0.008 Å
c	24.161 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	14218 ± 10 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178840 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94.	4109473.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109473.cif
58247	2012-05-25	cif/ Adding structures of 4109473 via cif-deposit CGI script.	4109473.cif