Crystallography Open Database

Information card for entry 7206560

7206559 << 7206560 >> 7206561

Preview

Coordinates	7206560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Ca N2 O8
Calculated formula	C7 H12 Ca N2 O8
Title of publication	Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid
Authors of publication	Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5872
a	7.7075 ± 0.0007 Å
b	18.7331 ± 0.0015 Å
c	8.3841 ± 0.0007 Å
α	90°
β	105.034 ± 0.007°
γ	90°
Cell volume	1169.11 ± 0.18 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180396 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65.	7206560.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206560.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206560.cif
28015	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206559, 7206560, 7206561 via cif-deposit CGI script.	7206560.cif