Crystallography Open Database

Information card for entry 7028806

Preview

Coordinates	7028806.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(H2bipy2M2)(ClO42)2
Formula	C34 H56 Cl2 N10 O12
Calculated formula	C34 H56 Cl2 N10 O12
SMILES	C1NCCN(C)CC[NH2+]Cc2ccnc(c2)c2nccc(c2)C[NH2+]CCN(C)CCNCc2ccnc(c2)c2nccc1c2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
Title of publication	Protonation, coordination chemistry, cyanometallate "supercomplex" formation and fluorescence chemosensing properties of a bis(2,2'-bipyridino)cyclophane receptor.
Authors of publication	Gago, Sandra; González, Jorge; Blasco, Salvador; Parola, A. Jorge; Albelda, M. T.; García-España, Enrique; Pina, Fernando
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	6
Pages of publication	2437 - 2447
a	20.026 ± 0.004 Å
b	15.4487 ± 0.0019 Å
c	14.706 ± 0.002 Å
α	90°
β	108.555 ± 0.017°
γ	90°
Cell volume	4313.2 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.3696
Residual factor for significantly intense reflections	0.1309
Weighted residual factors for significantly intense reflections	0.335
Weighted residual factors for all reflections included in the refinement	0.4729
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028806.cif
105430	2014-03-12	cif/ Adding structures of 7028805, 7028806 via cif-deposit CGI script.	7028806.cif