Crystallography Open Database

Information card for entry 4306999

Preview

Coordinates	4306999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Ce N7 O11
Calculated formula	C36 H30 Ce N7 O11
Title of publication	1,2-HOIQO a Highly Versatile 1,2-HOPO Analogue
Authors of publication	Michael Seitz; Michael D. Pluth; Kenneth N. Raymond
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	351 - 353
a	12.341 ± 0.002 Å
b	26.649 ± 0.004 Å
c	10.6206 ± 0.0017 Å
α	90°
β	96.753 ± 0.003°
γ	90°
Cell volume	3468.6 ± 0.9 Å³
Cell temperature	189 ± 2 K
Ambient diffraction temperature	189 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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
179107 (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 4/30/69.	4306999.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306999.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306999.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306999.cif