Crystallography Open Database

Information card for entry 4507674

Preview

Coordinates	4507674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 F2 N2 O7 Zn
Calculated formula	C18 H15 F2 N2 O7 Zn
Title of publication	Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration
Authors of publication	Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	996
a	7.679 ± 0.002 Å
b	8.747 ± 0.002 Å
c	15.342 ± 0.004 Å
α	97.427 ± 0.003°
β	97.273 ± 0.003°
γ	106.38 ± 0.003°
Cell volume	965.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0564
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
179612 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76.	4507674.cif
85615	2013-05-07	cif/ Adding structures of 4507674, 4507675, 4507676, 4507677 via cif-deposit CGI script.	4507674.cif