Crystallography Open Database

Information card for entry 4508657

Preview

Coordinates	4508657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 N3 O8 Zn
Calculated formula	C15 H17 N3 O8 Zn
Title of publication	One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems
Authors of publication	Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	8
Pages of publication	1903
a	28.4154 ± 0.0016 Å
b	7.3477 ± 0.0004 Å
c	17.0939 ± 0.001 Å
α	90°
β	108.469 ± 0.001°
γ	90°
Cell volume	3385.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179622 (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 4/50/86.	4508657.cif
96831	2014-01-29	cif/ Adding structures of 4508657 via cif-deposit CGI script.	4508657.cif