Crystallography Open Database

Information card for entry 4504740

Preview

Coordinates	4504740.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C11 H22 N4 O11 S Zn
Calculated formula	C11 H21 N4 O11 S Zn
Title of publication	Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups
Authors of publication	Custelcean, Radu; Moyer, Bruce A.; Bryantsev, Vyacheslav S.; Hay, Benjamin P.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	555
a	8.4886 ± 0.0015 Å
b	10.5837 ± 0.0018 Å
c	20.733 ± 0.004 Å
α	90°
β	96.619 ± 0.003°
γ	90°
Cell volume	1850.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179582 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/47.	4504740.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504740.cif
47503	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504735, 4504736, 4504737, 4504738, 4504739, 4504740, 4504741, 4504742, 4504743, 4504744, 4504745, 4504746 via cif-deposit CGI script.	4504740.cif