Crystallography Open Database

Information card for entry 7000859

Preview

Coordinates	7000859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 N O8 S2 Zn
Calculated formula	C29 H25 N O8 S2 Zn
Title of publication	Coordination polymers of zinc with 2,2′-(2,3-bis-phenylsulfanylnaphthalene-1,4-yloxy)diacetic acid
Authors of publication	Singh, W. Marjit; Baruah, Jubaraj B.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	13
Pages of publication	2352 - 2358
a	10.9449 ± 0.0003 Å
b	10.8468 ± 0.0003 Å
c	25.1629 ± 0.0008 Å
α	90°
β	97.845 ± 0.002°
γ	90°
Cell volume	2959.31 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179686 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/08.	7000859.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000859.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000859.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000859.cif