Crystallography Open Database

Information card for entry 4106337

Preview

Coordinates	4106337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H34 N6 O9 Zn3
Calculated formula	C58 H34 N6 O9 Zn3
Title of publication	Stepwise Synthesis of Metal-Organic Frameworks: Replacement of Structural Organic Linkers
Authors of publication	Brandon J. Burnett; Paul M. Barron; Chunhua Hu; Wonyoung Choe
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9984 - 9987
a	16.7036 ± 0.0009 Å
b	16.7036 ± 0.0009 Å
c	20.765 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5793.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178809 (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 4/10/63.	4106337.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106337.cif
53137	2012-04-18	cif/ Adding structures of 4106337 via cif-deposit CGI script.	4106337.cif