Crystallography Open Database

Information card for entry 7040678

Preview

Coordinates	7040678.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-amino-N-(pyridin-2-ylmethyl)-propanamide dihydrate
Formula	C9 H16 Cl Cu N3 O3
Calculated formula	C9 H16 Cl Cu N3 O3
Title of publication	Solution equilibria and the X-ray structure of Cu(ii) complexation with 3-amino-N-(pyridin-2-ylmethyl)propanamide, a pseudo-mimic of human serum albumin.
Authors of publication	Jackson, Graham E.; Elmagbari, Fatin M.; Hammouda, Ahmed N.; Bonomo, Raffaele P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	42
Pages of publication	17010 - 17019
a	7.3116 ± 0.0002 Å
b	22.407 ± 0.0009 Å
c	7.357 ± 0.0002 Å
α	90°
β	90.08 ± 0.002°
γ	90°
Cell volume	1205.3 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
188248 (current)	2016-11-08	cif/ Updating files of 7040678 Original log message: Adding full bibliography for 7040678.cif.	7040678.cif
186654	2016-09-20	cif/ Adding structures of 7040678 via cif-deposit CGI script.	7040678.cif