Crystallography Open Database

Information card for entry 1519968

1519967 << 1519968 >> 1519969

Preview

Coordinates	1519968.cif

Structure parameters

Chemical name	Methylammonium adipate
Formula	C7 H15 N O4
Calculated formula	C7 H15 N O4
Title of publication	Methylammonium adipate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	555
a	7.2807 ± 0.0004 Å
b	7.9336 ± 0.0005 Å
c	9.491 ± 0.0006 Å
α	67.216 ± 0.002°
β	76.457 ± 0.003°
γ	67.849 ± 0.004°
Cell volume	465.64 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519968.cif
137352	2015-05-26	cif/ Adding structures of 1519968 via cif-deposit CGI script.	1519968.cif