Crystallography Open Database

Information card for entry 7211178

Preview

Coordinates	7211178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Ca N2 O11 S
Calculated formula	C16 H16 Ca N2 O11 S
Title of publication	A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions
Authors of publication	Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	42
Pages of publication	8422
a	15.876 ± 0.003 Å
b	23.562 ± 0.005 Å
c	12.514 ± 0.003 Å
α	90°
β	117.77 ± 0.03°
γ	90°
Cell volume	4142 ± 1.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7211178.html