Crystallography Open Database

Information card for entry 4112836

Preview

Coordinates	4112836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 N10 Ni2 O12
Calculated formula	C30 H24 N10 Ni2 O12
Title of publication	Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics
Authors of publication	Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9750 - 9759
a	11.2657 ± 0.0018 Å
b	20.517 ± 0.004 Å
c	34.413 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	7954 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 1 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.2208
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178899 (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 4/11/28.	4112836.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112836.cif
65253	2012-09-05	cif/ Adding structures of 4112836 via cif-deposit CGI script.	4112836.cif