Crystallography Open Database

Information card for entry 4305226

Preview

Coordinates	4305226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11.75 H8.75 Ga N O5
Calculated formula	C11.85 H8.85 Ga N0.77 O5
Title of publication	Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates
Authors of publication	Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11535 - 11542
a	18.23 ± 0.02 Å
b	6.734 ± 0.008 Å
c	11.062 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	1358 ± 3 Å³
Cell temperature	570 ± 2 K
Ambient diffraction temperature	570 ± 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	0.0838
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.189
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305226.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305226.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305226.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305226.cif