Crystallography Open Database

Information card for entry 4508123

Preview

Coordinates	4508123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H28 F12 N4 O12 Zn2
Calculated formula	C58 H28 F12 N4 O12 Zn2
Title of publication	Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar
Authors of publication	Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4260
a	16.407 ± 0.0008 Å
b	22.5138 ± 0.0015 Å
c	30.5117 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	11270.5 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1465
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2635
Weighted residual factors for all reflections included in the refinement	0.3007
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
179617 (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 4/50/81.	4508123.cif
88827	2013-10-09	cif/ Adding structures of 4508123 via cif-deposit CGI script.	4508123.cif