Crystallography Open Database

Information card for entry 7226970

Preview

Coordinates	7226970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H182 N20 O55 S8
Calculated formula	C180 H140 N20 O55 S8
Title of publication	Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state
Authors of publication	Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	46
Pages of publication	8858
a	34.8241 ± 0.0009 Å
b	11.9401 ± 0.0002 Å
c	41.747 ± 0.001 Å
α	90°
β	98.01 ± 0.003°
γ	90°
Cell volume	17189.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1485
Residual factor for significantly intense reflections	0.1372
Weighted residual factors for significantly intense reflections	0.3708
Weighted residual factors for all reflections included in the refinement	0.3747
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190065 (current)	2017-01-09	cif/ Updating files of 7226969, 7226970, 7226971 Original log message: Adding full bibliography for 7226969--7226971.cif.	7226970.cif
187710	2016-11-01	cif/ Adding structures of 7226969, 7226970, 7226971 via cif-deposit CGI script.	7226970.cif