Crystallography Open Database

Information card for entry 4509383

Preview

Coordinates	4509383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cl2 N5 O2 Zn
Calculated formula	C27 H25 Cl2 N5 O2 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	14.2056 ± 0.0009 Å
b	12.3352 ± 0.0008 Å
c	17.8585 ± 0.0011 Å
α	90°
β	106.89 ± 0.007°
γ	90°
Cell volume	2994.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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.	4509383.cif
97247	2014-01-29	cif/ Adding structures of 4509383 via cif-deposit CGI script.	4509383.cif