Crystallography Open Database

Information card for entry 4509380

Preview

Coordinates	4509380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 Cl2 N12 O15 Zn
Calculated formula	C56 H70 Cl2 N12 O15 Zn
Title of publication	Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions
Authors of publication	Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1605
a	11.6722 ± 0.0004 Å
b	11.7171 ± 0.0005 Å
c	23.2671 ± 0.0009 Å
α	90°
β	96.062 ± 0.003°
γ	90°
Cell volume	3164.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179629 (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 4/50/93.	4509380.cif
97244	2014-01-29	cif/ Adding structures of 4509380 via cif-deposit CGI script.	4509380.cif