Crystallography Open Database

Information card for entry 8102553

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Coordinates	8102553.cif

Structure parameters

Formula	C16 H16 N2 O7 S Zn
Calculated formula	C16 H16 N2 O7 S Zn
Title of publication	Crystal structure of aqua-(2,2'-bipyridyl)-(2,5-thiophenedicarboxylato)zinc(II) dihydrate, Zn(H2O)(C10H8N2)(C6H2O4S) · 2H2O
Authors of publication	Qing-Wei Wang; Xiu-Mei Li; Zhan-Lin Xu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	641
a	8.5356 ± 0.0007 Å
b	9.5342 ± 0.0008 Å
c	12.6702 ± 0.0011 Å
α	69.377 ± 0.001°
β	86.236 ± 0.001°
γ	67.666 ± 0.001°
Cell volume	889.86 ± 0.13 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0404
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102553.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102553.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102553.cif
13292	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102553 via cif-deposit CGI script.	8102553.cif