Crystallography Open Database

Information card for entry 4111415

Preview

Coordinates	4111415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.75 H Co0.25 N0.25 O1.25
Calculated formula	C2.75 H Co0.25 N0.25 O1.25
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	19.2301 ± 0.0016 Å
b	7.2386 ± 0.0006 Å
c	8.8481 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1231.65 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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.	4111415.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111415.cif
63014	2012-07-13	cif/ Adding structures of 4111415 via cif-deposit CGI script.	4111415.cif