Crystallography Open Database

Information card for entry 7020939

7020938 << 7020939 >> 7020940

Preview

Coordinates	7020939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H86 Mn3 N2 O19
Calculated formula	C63 H78.5 Mn3 N2 O19
Title of publication	Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.
Authors of publication	Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	8
Pages of publication	2779 - 2785
a	11.7606 ± 0.0008 Å
b	21.3505 ± 0.0008 Å
c	26.7827 ± 0.0017 Å
α	90°
β	91.494 ± 0.008°
γ	90°
Cell volume	6722.7 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179914 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/09.	7020939.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020939.cif
73720	2013-02-21	cif/ Adding structures of 7020938, 7020939, 7020940, 7020941, 7020942 via cif-deposit CGI script.	7020939.cif