Crystallography Open Database

Information card for entry 7231840

Preview

Coordinates	7231840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H19 Cl2 N5 O4 Zn
Calculated formula	C28 H19 Cl2 N5 O4 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	10.8226 ± 0.0004 Å
b	23.0562 ± 0.0008 Å
c	10.5332 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2628.33 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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.	7231840.cif
212080	2018-11-21	cif/ Adding structures of 7231836, 7231837, 7231838, 7231839, 7231840, 7231841 via cif-deposit CGI script.	7231840.cif