Crystallography Open Database

Information card for entry 4328636

Preview

Coordinates	4328636.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	aqua(N-benzyl-aspartate)cobalt(II)
Formula	C11 H13 Co N O5
Calculated formula	C11 H11 Co N O5
Title of publication	[M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands
Authors of publication	Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3533 - 3539
a	5.9522 ± 0.0008 Å
b	13.3808 ± 0.0017 Å
c	7.9745 ± 0.001 Å
α	90°
β	110.252 ± 0.002°
γ	90°
Cell volume	595.87 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328636.cif
77630	2013-03-29	cif/ Adding structures of 4328636 via cif-deposit CGI script.	4328636.cif