Crystallography Open Database

Information card for entry 4502741

Preview

Coordinates	4502741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 N4 O9 Zn
Calculated formula	C42 H44 N4 O9 Zn
Title of publication	A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism
Authors of publication	Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	79
a	13.631 ± 0.0012 Å
b	17.3491 ± 0.0016 Å
c	20.2809 ± 0.0018 Å
α	90°
β	119.844 ± 0.002°
γ	90°
Cell volume	4160.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1418
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179558 (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 4/50/27.	4502741.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502741.cif
37742	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502741 via cif-deposit CGI script.	4502741.cif