Crystallography Open Database

Information card for entry 4343165

Preview

Coordinates	4343165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N4 O6.5 Zn
Calculated formula	C18 H21 N4 O6.5 Zn
Title of publication	From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.
Authors of publication	Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	3951 - 3957
a	17.655 ± 0.007 Å
b	21.733 ± 0.008 Å
c	5.626 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2158.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4343165.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343165.cif
137922	2015-06-04	cif/ Adding structures of 4343165, 4343166, 4343167 via cif-deposit CGI script.	4343165.cif