Crystallography Open Database

Information card for entry 4103678

Preview

Coordinates	4103678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H66 Cl3 Cu3 F6 N10 O6 P2
Calculated formula	C42 H66 Cl3 Cu3 F6 N10 O6 P2
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	15.2562 ± 0.0006 Å
b	15.2562 ± 0.0006 Å
c	40.444 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	8152.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
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.	4103678.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103678.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103678.cif
26711	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103678 via cif-deposit CGI script.	4103678.cif