Crystallography Open Database

Information card for entry 4303136

Preview

Coordinates	4303136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N6 O4 S2 Zn2
Calculated formula	C28 H30 N6 O4 S2 Zn2
Title of publication	Metal-Assisted Oxazolidine/Oxazine Ring Formation in Dinuclear Zinc(II) Complexes: Synthesis, Structural Aspects, and Bioactivity
Authors of publication	Arpita Banerjee; Subhalakshmi Ganguly; Tanmay Chattopadhyay; Kazi Sabnam Banu; Amarendra Patra; Santanu Bhattacharya; Ennio Zangrando; Debasis Das
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8695 - 8702
a	16.513 ± 0.004 Å
b	9.849 ± 0.003 Å
c	20.199 ± 0.004 Å
α	90°
β	93.31 ± 0.03°
γ	90°
Cell volume	3279.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	0.829
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
179069 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303136.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303136.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303136.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303136.cif