Crystallography Open Database

Information card for entry 4505898

Preview

Coordinates	4505898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N2 O4 Zn
Calculated formula	C24 H18 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	8.5502 ± 0.0002 Å
b	20.0981 ± 0.0004 Å
c	12.8744 ± 0.0003 Å
α	90°
β	99.403 ± 0.001°
γ	90°
Cell volume	2182.65 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0473
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4505898.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505898.cif
57366	2012-05-18	cif/ Adding structures of 4505898 via cif-deposit CGI script.	4505898.cif