Crystallography Open Database

Information card for entry 7231838

Preview

Coordinates	7231838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cl4 N4 O6 Zn
Calculated formula	C26 H22 Cl4 N4 O6 Zn
Title of publication	Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry
Authors of publication	Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	207
a	9.8295 ± 0.0005 Å
b	10.6901 ± 0.0005 Å
c	13.3737 ± 0.0007 Å
α	98.589 ± 0.002°
β	94.244 ± 0.002°
γ	97.801 ± 0.002°
Cell volume	1370.28 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1146
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223590 (current)	2019-11-07	cif/ Updating files of 7231836, 7231837, 7231838, 7231839, 7231840, 7231841 Original log message: Adding full bibliography for 7231836--7231841.cif.	7231838.cif
212080	2018-11-21	cif/ Adding structures of 7231836, 7231837, 7231838, 7231839, 7231840, 7231841 via cif-deposit CGI script.	7231838.cif