Crystallography Open Database

Information card for entry 4504827

Preview

Coordinates	4504827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H42 N O15 P2
Calculated formula	C35 H42 N O15 P2
Title of publication	Solid-State Complexes of Calix[4]arene Dihydroxyphosphonic Acid with Bipyridyl Ligands
Authors of publication	Lazar, Adina N.; Dupont, Nathalie; Navaza, Alda; Coleman, Anthony W.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	3
Pages of publication	669
a	15.17 ± 0.003 Å
b	13.343 ± 0.003 Å
c	18.523 ± 0.004 Å
α	90°
β	105.42 ± 0.03°
γ	90°
Cell volume	3614.3 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1353
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2344
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179583 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/48.	4504827.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504827.cif
47655	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504827 via cif-deposit CGI script.	4504827.cif