Crystallography Open Database

Information card for entry 7007465

Preview

Coordinates	7007465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H72 Cl N8 Na O8
Calculated formula	C45 H68 Cl N8 Na O8
SMILES	[O]1=C(OC(C)(C)C)C[N]23CC[N]45CC[N]67CC[N]8(CC3)CC(=[O][Na]12468([O]=C(OC(C)(C)C)C7)[n]1c(C5)cccc1CN(Cc1ncccc1)Cc1ncccc1)OC(C)(C)C.O.O.[Cl-]
Title of publication	Design, synthesis and photophysical studies of an emissive, europium based, sensor for zinc.
Authors of publication	Pope, Simon J. A.; Laye, Rebecca H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	25
Pages of publication	3108 - 3113
a	12.3447 ± 0.0009 Å
b	13.9613 ± 0.0011 Å
c	16.0694 ± 0.0012 Å
α	82.218 ± 0.006°
β	85.885 ± 0.006°
γ	64.76 ± 0.008°
Cell volume	2481.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2697
Weighted residual factors for all reflections included in the refinement	0.2936
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179778 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/74.	7007465.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007465.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007465.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007465.cif