Crystallography Open Database

Information card for entry 7241758

Preview

Coordinates	7241758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N8 O2 Zn
Calculated formula	C36 H26 N8 O2 Zn
SMILES	[Zn]1234([n]5ccccc5C(c5ccccn5)=[N]1N=C(c1ccccc1)O2)[n]1ccccc1C(c1ccccn1)=[N]3N=C(c1ccccc1)O4
Title of publication	Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels
Authors of publication	Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	617 - 628
a	18.2863 ± 0.0011 Å
b	11.3902 ± 0.0006 Å
c	30.447 ± 0.002 Å
α	90°
β	106.745 ± 0.002°
γ	90°
Cell volume	6072.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.98 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	0.0447
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
261634 (current)	2021-02-05	cif/ Updating files of 7241758, 7241759, 7241760, 7241761, 7241762, 7241763 Original log message: Adding full bibliography for 7241758--7241763.cif.	7241758.cif
259739	2020-12-10	cif/ Adding structures of 7241758, 7241759, 7241760, 7241761, 7241762, 7241763 via cif-deposit CGI script.	7241758.cif