Crystallography Open Database

Information card for entry 1561434

Preview

Coordinates	1561434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 N6
Calculated formula	C56 H40 N6
SMILES	n1ccc(cc1)c1ccc(N(c2ccc(cc2)c2ccncc2)c2ccc(cc2)c2ccc(N(c3ccc(cc3)c3ccncc3)c3ccc(cc3)c3ccncc3)cc2)cc1
Title of publication	Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units
Authors of publication	Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	239
Pages of publication	53 - 57
a	16.293 ± 0.002 Å
b	16.709 ± 0.002 Å
c	17.586 ± 0.002 Å
α	90°
β	92.956 ± 0.002°
γ	90°
Cell volume	4781.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1319
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
263529 (current)	2021-04-01	cif/ Adding structures of 1561432, 1561433, 1561434 via cif-deposit CGI script.	1561434.cif