Crystallography Open Database

Information card for entry 7016460

Preview

Coordinates	7016460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 N2 O10 Zn
Calculated formula	C22 H32 N2 O10 Zn
Title of publication	C-Branched chiral (racemic) macrocyclic amino acids: structure of their Ni(ii), Zn(ii) and Cu(ii) complexes.
Authors of publication	Pellico, Daniel; Gómez-Gallego, Mar; Escudero, Rosa; Ramírez-López, Pedro; Oliván, Montserrat; Sierra, Miguel A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	36
Pages of publication	9145 - 9153
a	11.7777 ± 0.0011 Å
b	7.4694 ± 0.0007 Å
c	14.6265 ± 0.0013 Å
α	90°
β	107.052 ± 0.001°
γ	90°
Cell volume	1230.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016460.html