Crystallography Open Database

Information card for entry 4505899

Preview

Coordinates	4505899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O4 Zn
Calculated formula	C24 H20 N2 O4 Zn
Title of publication	Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands
Authors of publication	Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2234
a	8.605 ± 0.011 Å
b	11.526 ± 0.014 Å
c	12.862 ± 0.016 Å
α	113.698 ± 0.017°
β	99.844 ± 0.017°
γ	101.204 ± 0.017°
Cell volume	1101 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	0.865
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
179594 (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 4/50/58.	4505899.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505899.cif
57367	2012-05-18	cif/ Adding structures of 4505899 via cif-deposit CGI script.	4505899.cif