Crystallography Open Database

Information card for entry 4500402

Preview

Coordinates	4500402.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(cycloheptylammonium).(terephthalate)
Formula	C11 H18 N O2
Calculated formula	C11 H18 N O2
Title of publication	Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12
Authors of publication	Lemmerer, Andreas
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	2
Pages of publication	583
a	11.121 ± 0.001 Å
b	6.2292 ± 0.0005 Å
c	16.302 ± 0.0014 Å
α	90°
β	102.8 ± 0.004°
γ	90°
Cell volume	1101.26 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0615
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179535 (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 4/50/04.	4500402.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500402.cif
34480	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500398, 4500399, 4500400, 4500401, 4500402, 4500403, 4500404 via cif-deposit CGI script.	4500402.cif