Crystallography Open Database

Information card for entry 4328043

Preview

Coordinates	4328043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N10 O4 S2 Zn
Calculated formula	C20 H24 N10 O4 S2 Zn
Title of publication	Switching from Bonding to Nonbonding: Temperature-Dependent Metal Coordination in a Zinc(II) Sulfadiazine Complex
Authors of publication	Fangfang Pan; Ruimin Wang; Ulli Englert
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	769 - 771
a	13.6653 ± 0.0006 Å
b	12.842 ± 0.0006 Å
c	14.0734 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2469.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.0628
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
191013 (current)	2017-01-27	cif/4/32/80/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item in entry 4328043.	4328043.cif
191012	2017-01-27	cif/4/32/80/ (antanas@echidna.ibt.lt) Marking atom 'DUM0' as a dummy atom in entry 4328043.	4328043.cif
179383	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/80.	4328043.cif
76987	2013-03-22	cif/ Adding structures of 4328043 via cif-deposit CGI script.	4328043.cif