Crystallography Open Database

Information card for entry 4511147

Preview

Coordinates	4511147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 N8 O9 Zn2
Calculated formula	C56 H42 N8 O9 Zn2
Title of publication	Assembly of 3D Metal-Organic Frameworks Based on Different Helical Units: Chiral and Achiral Structures Constructed by Length-Modulated N-Donor Ligands
Authors of publication	Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Liu, Jie; Yang, Jin
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	9
Pages of publication	4142
a	18.688 ± 0.0011 Å
b	13.417 ± 0.0014 Å
c	19.416 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4868.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511147.cif
114717	2014-05-29	cif/ Adding structures of 4511146, 4511147 via cif-deposit CGI script.	4511147.cif