Crystallography Open Database

Information card for entry 4505570

Preview

Coordinates	4505570.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly-{[tetramethylammonium (mu-pyrazine-2,5-dicarboxylato)-k2N,O:k2N',O') indate(III)]dihydrate}
Formula	C16 H20 In N5 O10
Calculated formula	C16 H20 In N5 O10
Title of publication	Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures
Authors of publication	Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1501
a	9.159 ± 0.003 Å
b	9.159 ± 0.003 Å
c	24.445 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	2050.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
179590 (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 4/50/55.	4505570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505570.cif
51810	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505568, 4505569, 4505570, 4505571, 4505572, 4505573, 4505574 via cif-deposit CGI script.	4505570.cif