Crystallography Open Database

Information card for entry 4329920

Preview

Coordinates	4329920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C280 H216 Cl24 Fe14 N6 O82
Calculated formula	C280 H208 Cl24 Fe14 N6 O82
Title of publication	Molecular [(Fe3)-(Fe3)] and [(Fe4)-(Fe4)] Coordination Cluster Pairs as Single or Composite Arrays
Authors of publication	E. Carolina Sañudo; Jorge Salinas Uber; Alba Pons Balagué; Olivier Roubeau; Guillem Aromí
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8441 - 8446
a	20.151 ± 0.002 Å
b	20.915 ± 0.002 Å
c	22.034 ± 0.003 Å
α	117.522 ± 0.001°
β	93.717 ± 0.002°
γ	91.867 ± 0.002°
Cell volume	8197.6 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2221
Weighted residual factors for all reflections included in the refinement	0.2591
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7848 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179402 (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 4/32/99.	4329920.cif
79163	2013-04-04	cif/ Adding structures of 4329920 via cif-deposit CGI script.	4329920.cif