Crystallography Open Database

Information card for entry 7230295

Preview

Coordinates	7230295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H76 N4 O20 P6 Zn2
Calculated formula	C44 H76 N4 O20 P6 Zn2
Title of publication	Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages
Authors of publication	Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	2152
a	8.6054 ± 0.0008 Å
b	16.7131 ± 0.0015 Å
c	39.418 ± 0.003 Å
α	90°
β	92.227 ± 0.002°
γ	90°
Cell volume	5664.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
229098 (current)	2019-11-17	cif/ Updating files of 7230295, 7230296 Original log message: Adding full bibliography for 7230295--7230296.cif.	7230295.cif
206939	2018-03-14	cif/ Adding structures of 7230295, 7230296 via cif-deposit CGI script.	7230295.cif