Crystallography Open Database

Information card for entry 4106797

Preview

Coordinates	4106797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 Cd I2 N8
Calculated formula	C40 H26 Cd I2 N8
Title of publication	"Nanoscale Lattice Fence" in a Metal-Organic Framework: Interplay between Hinged Topology and Highly Anisotropic Thermal Response
Authors of publication	Lucas D. DeVries; Paul M. Barron; Evan P. Hurley; Chunhua Hu; Wonyoung Choe
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14848 - 14851
a	8.9939 ± 0.0017 Å
b	18.27 ± 0.004 Å
c	20.38 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3348.8 ± 1.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
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	0.0622
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178813 (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 4/10/67.	4106797.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106797.cif
53608	2012-04-20	cif/ Adding structures of 4106797 via cif-deposit CGI script.	4106797.cif