Crystallography Open Database

Information card for entry 4305304

Preview

Coordinates	4305304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 In N7 O9
Calculated formula	C36 H30 In N7 O9
SMILES	N12CCNC(=O)C3=Cc4ccccc4C4=[O][In]56(ON34)(ON3C(C(=O)NCC1)=Cc1ccccc1C3=[O]5)ON1C(C(=O)NCC2)=Cc2ccccc2C1=[O]6
Title of publication	Highly Fluorescent Group 13 Metal Complexes With Cyclic, Aromatic Hydroxamic Acid Ligands
Authors of publication	Michael Seitz; Evan G. Moore; Kenneth N. Raymond
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8665 - 8673
a	13.0384 ± 0.0015 Å
b	13.0384 ± 0.0015 Å
c	32.87 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	4839.3 ± 1.4 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179091 (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 4/30/53.	4305304.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305304.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305304.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305304.cif