Crystallography Open Database

Information card for entry 7019264

7019263 << 7019264 >> 7019265

Preview

Coordinates	7019264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.6 H109.2 Cl1.6 Gd4 Mn4 N13.2 O44
Calculated formula	C51.6 H98 Cl1.6 Gd4 Mn4 N13.2 O44
Title of publication	Using the flexible ligand bis(2-hydroxyethyl)amino-tris (hydroxymethyl)methane ("bis-tris") to access a family of 3d-4f Mn(III)(4)Ln(4) complexes.
Authors of publication	Khan, Amin; Lan, Yanhua; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	27
Pages of publication	8333 - 8339
a	11.1812 ± 0.001 Å
b	13.7232 ± 0.0012 Å
c	14.4137 ± 0.0014 Å
α	106.207 ± 0.007°
β	92.406 ± 0.007°
γ	98.235 ± 0.007°
Cell volume	2094 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019264.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019264.cif
62825	2012-07-09	cif/ Adding structures of 7019264, 7019265 via cif-deposit CGI script.	7019264.cif