Crystallography Open Database

Information card for entry 1515347

Preview

Coordinates	1515347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Cd N3 O23
Calculated formula	C30 H18 Cd N3 O11
Title of publication	A crystal engineering rationale in designing a CdII coordination polymer based metallogel derived from a C3 symmetric tris-amide-tris-carboxylate ligand
Authors of publication	Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi
Journal of publication	Soft Matter
Year of publication	2012
Journal volume	8
Journal issue	29
Pages of publication	7623
a	17.9224 ± 0.0013 Å
b	26.39 ± 0.002 Å
c	9.0841 ± 0.0007 Å
α	90°
β	99.7 ± 0.002°
γ	90°
Cell volume	4235.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176729 (current)	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 1.	1515347.cif
111146	2014-04-20	cif/ Adding structures of 1515347 via cif-deposit CGI script.	1515347.cif