Crystallography Open Database

Information card for entry 4111420

Preview

Coordinates	4111420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 N O8.5 Tb
Calculated formula	C9 H3 O25 Tb
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	10.2792 ± 0.0011 Å
b	10.2792 ± 0.0011 Å
c	14.5376 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1536.1 ± 0.3 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 K
Number of distinct elements	5
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.025
Goodness-of-fit parameter for all reflections included in the refinement	0.89
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.	4111420.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111420.cif
63019	2012-07-13	cif/ Adding structures of 4111420 via cif-deposit CGI script.	4111420.cif