Crystallography Open Database

Information card for entry 4330416

Preview

Coordinates	4330416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 N2 O6 S Zn
Calculated formula	C21 H15 N2 O6 S Zn
Title of publication	Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors
Authors of publication	Kamal Kumar Bisht; Eringathodi Suresh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9577 - 9579
a	7.22 ± 0.007 Å
b	12.829 ± 0.012 Å
c	13.163 ± 0.013 Å
α	110.01 ± 0.02°
β	101.593 ± 0.019°
γ	92.468 ± 0.019°
Cell volume	1113.9 ± 1.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0907
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179407 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/04.	4330416.cif
79671	2013-04-05	cif/ Adding structures of 4330416 via cif-deposit CGI script.	4330416.cif