Crystallography Open Database

Information card for entry 4510763

Preview

Coordinates	4510763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2 O4 S2 Zn
Calculated formula	C26 H22 N2 O4 S2 Zn
Title of publication	Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties
Authors of publication	Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3078
a	12.9879 ± 0.0016 Å
b	6.2776 ± 0.0008 Å
c	19.104 ± 0.0017 Å
α	90°
β	114.325 ± 0.006°
γ	90°
Cell volume	1419.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510763.cif
113152	2014-05-08	cif/ Adding structures of 4510760, 4510761, 4510762, 4510763, 4510764, 4510765 via cif-deposit CGI script.	4510763.cif