Crystallography Open Database

Information card for entry 4103675

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Structure parameters

Formula	C24 H24 Br3 N
Calculated formula	C24 H24 Br3 N
SMILES	BrCc1cc(CN(Cc2cc(ccc2)CBr)Cc2cc(ccc2)CBr)ccc1
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	8.8739 ± 0.0003 Å
b	10.2972 ± 0.0004 Å
c	13.4184 ± 0.0005 Å
α	105.857 ± 0.001°
β	101.177 ± 0.001°
γ	97.514 ± 0.001°
Cell volume	1134.95 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4103675.cif
178782	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.	4103675.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103675.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103675.cif
26708	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103675 via cif-deposit CGI script.	4103675.cif