Crystallography Open Database

Information card for entry 7205764

7205763 << 7205764 >> 7205765

Preview

Coordinates	7205764.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(cycloheptylammonium).(benzoate)
Formula	C14 H21 N O2
Calculated formula	C14 H21 N O2
Title of publication	Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
Authors of publication	Lemmerer, Andreas
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2849
a	29.9753 ± 0.0005 Å
b	29.9753 ± 0.0005 Å
c	6.0374 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5424.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180388 (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 7/20/57.	7205764.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205764.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205764.cif
21005	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205762, 7205763, 7205764, 7205765, 7205766, 7205767, 7205768, 7205769, 7205770, 7205771 via cif-deposit CGI script.	7205764.cif