Crystallography Open Database

Information card for entry 4324381

Preview

Coordinates	4324381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H74 Ag3 Cl F24 Fe N24 O6 P4
Calculated formula	C86 H72 Ag3 Cl F24 Fe N24 O6 P4
Title of publication	Self-Assembly of a Metallomacrocycle Templated by Iron(II)
Authors of publication	Feng Li; Jack K. Clegg; David Price; Cameron J. Kepert
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	726 - 728
a	28.038 ± 0.003 Å
b	22.37 ± 0.002 Å
c	30.391 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	19062 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2734
Residual factor for significantly intense reflections	0.1484
Weighted residual factors for significantly intense reflections	0.3335
Weighted residual factors for all reflections included in the refinement	0.404
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179346 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/43.	4324381.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324381.cif
41088	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324381 via cif-deposit CGI script.	4324381.cif