Crystallography Open Database

Information card for entry 4303137

Preview

Coordinates	4303137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 N6 O4.5 S2 Zn2
Calculated formula	C30 H34 N6 O4.5 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	9.724 ± 0.003 Å
b	13.625 ± 0.004 Å
c	14.787 ± 0.004 Å
α	72.41 ± 0.02°
β	71.55 ± 0.03°
γ	83.43 ± 0.02°
Cell volume	1771.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4303137.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303137.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303137.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303137.cif