Crystallography Open Database

Information card for entry 7018477

Preview

Coordinates	7018477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106.25 H96.75 Co4 N11.25 O23.75
Calculated formula	C106.25 H88 Co4 N11.25 O23.75
Title of publication	A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.
Authors of publication	Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	4224 - 4231
a	31.9819 ± 0.0012 Å
b	31.9819 ± 0.0012 Å
c	25.3323 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	25910.9 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.1514
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.2718
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179888 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/84.	7018477.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018477.cif
52112	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018476, 7018477, 7018478 via cif-deposit CGI script.	7018477.cif