Crystallography Open Database

Information card for entry 7200507

7200506 << 7200507 >> 7200508

Preview

Coordinates	7200507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H55.5 Cl2 N7 O8.25 Zn
Calculated formula	C25 H55 Cl2 N7 O8.247 Zn
Title of publication	Proton switching of polarity in metalloamphiphile crystals
Authors of publication	Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	249 - 253
a	15.4878 ± 0.0007 Å
b	8.8523 ± 0.0005 Å
c	49.23 ± 0.003 Å
α	90°
β	92.832 ± 0.006°
γ	90°
Cell volume	6741.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1503
Residual factor for significantly intense reflections	0.1009
Weighted residual factors for significantly intense reflections	0.2935
Weighted residual factors for all reflections included in the refinement	0.331
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
218478 (current)	2019-09-18	cif/7/20/05/ Replaced the incorrect bibliographical reference to the original publication with a proper one in entries 7200506-7200507.	7200507.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7200507.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200507.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200507.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200507.cif