Crystallography Open Database

Information card for entry 4111418

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Coordinates	4111418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 N2 O10 Zn2
Calculated formula	C14 H2 N2 O8.98 Zn2
Title of publication	Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units
Authors of publication	Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1504 - 1518
a	25.9322 ± 0.0015 Å
b	25.9322 ± 0.0015 Å
c	6.8365 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	3981.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
178885 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/14.	4111418.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111418.cif
63017	2012-07-13	cif/ Adding structures of 4111418 via cif-deposit CGI script.	4111418.cif