Crystallography Open Database

Information card for entry 4503564

Preview

Coordinates	4503564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H39 N4 O19.5 Zn4
Calculated formula	C43 H39 N4 O19.5 Zn4
Title of publication	Syntheses, Structures, and Photoluminescence of Four d10Metal−Organic Frameworks Constructed from 3,5-Bis-oxyacetate-benzoic Acid
Authors of publication	He, Yin-Hua; Feng, Yun-Long; Lan, You-Zhao; Wen, Yi-Hang
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3586
a	9.82 ± 0.002 Å
b	11.824 ± 0.002 Å
c	12.05 ± 0.002 Å
α	116.65 ± 0.03°
β	102.36 ± 0.03°
γ	96.21 ± 0.03°
Cell volume	1187.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503564.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503564.cif
41631	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503564 via cif-deposit CGI script.	4503564.cif