Crystallography Open Database

Information card for entry 7111729

Preview

Coordinates	7111729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.75 H37 Al N6 O6
Calculated formula	C47.75 H36.75 Al N6 O6
Title of publication	Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks
Authors of publication	Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	28
Pages of publication	5067 - 5069
a	11.978 ± 0.0001 Å
b	12.585 ± 0.0001 Å
c	14.339 ± 0.0002 Å
α	87.816 ± 0.001°
β	84.052 ± 0.001°
γ	79.823 ± 0.001°
Cell volume	2115.61 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111729.cif
96754	2014-01-29	cif/ Adding structures of 7111729, 7111730, 7111731, 7111732 via cif-deposit CGI script.	7111729.cif