Crystallography Open Database

Information card for entry 4302468

Preview

Coordinates	4302468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H15.5 Br Cl0.5 N3 O2.5 Zn
Calculated formula	C8 H3.5 Br Cl0.5 N3 O2.5 Zn
Title of publication	Phosphates Sensing: Two Polyamino-Phenolic Zinc Receptors Able to Discriminate and Signal Phosphates in Water
Authors of publication	Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	5901 - 5912
a	10.692 ± 0.002 Å
b	10.374 ± 0.002 Å
c	11.321 ± 0.002 Å
α	90°
β	98.33 ± 0.01°
γ	90°
Cell volume	1242.5 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.2202
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4302468.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302468.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302468.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302468.cif