Crystallography Open Database

Information card for entry 7115056

Preview

Coordinates	7115056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H104 N10 O9
Calculated formula	C65 H104 N10 O9
Title of publication	Rhodizonate and croconate dianions as divergent hydrogen-bond acceptors in the self-assembly of supramolecular structures
Authors of publication	Lam, Chi-Keung; Mak, Thomas C. W.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1568
a	8.7478 ± 0.0009 Å
b	13.1937 ± 0.0013 Å
c	17.1799 ± 0.0017 Å
α	70.147 ± 0.002°
β	86.368 ± 0.002°
γ	70.806 ± 0.002°
Cell volume	1758.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115056.cif
118508	2014-06-30	cif/ Adding structures of 7115055, 7115056 via cif-deposit CGI script.	7115056.cif