Crystallography Open Database

Information card for entry 4339847

Preview

Coordinates	4339847.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CALCIUM-5-AMINOISOPHTHALATE
Formula	C8 H15.67 Ca N O9.33
Calculated formula	C8 H11 Ca N O9.33333
Title of publication	A double helix is the repeating unit in a luminescent calcium 5-aminoisophthalate supramolecular edifice with water-filled hexagonal channels.
Authors of publication	Murugavel, Ramaswamy; Kumar, Parimal; Walawalkar, Mrinalini G.; Mathialagan, Ramyaa
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6828 - 6830
a	23.7031 ± 0.0005 Å
b	23.7031 ± 0.0005 Å
c	13.275 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6459.2 ± 0.2 Å³
Cell temperature	151 ± 2 K
Ambient diffraction temperature	151 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2605
Weighted residual factors for all reflections included in the refinement	0.2927
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339847.cif
117573	2014-06-15	cif/ Adding structures of 4339846, 4339847 via cif-deposit CGI script.	4339847.cif