Crystallography Open Database

Information card for entry 7211339

Preview

Coordinates	7211339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H86 N8 O43 Zn8
Calculated formula	C84 H86 N8 O43 Zn8
Title of publication	In situ resolved ligand chirality in preparing a chiral 3D zinc‒cyclopentane‒tetracarboxylate based coordination polymer
Authors of publication	Liu, Yen-Hsiang; Peng, Chia-Chien; Lee, Szu-Hsuan; Chien, Po-Hsiu; Wu, Pei-Chen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	47
Pages of publication	10333
a	8.7 ± 0.0002 Å
b	11.4517 ± 0.0003 Å
c	23.0491 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2296.38 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1168
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
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
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211339.cif
91426	2013-12-13	cif/ Adding structures of 7211339 via cif-deposit CGI script.	7211339.cif