Crystallography Open Database

Information card for entry 4103680

Preview

Coordinates	4103680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H213.02 Cl4.34 Mn8 N24 Na4.34 O74.17 P10
Calculated formula	C104 H213.018 Cl4.336 Mn8 N24 Na4.3362 O74.1692 P10
Title of publication	Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers
Authors of publication	Rui Cao; Peter Müller; Stephen J. Lippard
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17366 - 17369
a	16.081 ± 0.004 Å
b	17.7073 ± 0.0018 Å
c	20.483 ± 0.002 Å
α	113.919 ± 0.002°
β	108.197 ± 0.002°
γ	91.932 ± 0.002°
Cell volume	4977.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178782 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/36.	4103680.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103680.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103680.cif
26713	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103680 via cif-deposit CGI script.	4103680.cif