Crystallography Open Database

Information card for entry 7003297

Preview

Coordinates	7003297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H238 Cl10 Fe9 N24 O81
Calculated formula	C72 H144 Cl9.82 Fe9 N24 O81.55
Title of publication	Synthesis of new polymetallic iron(iii) clusters containing polycarboxylate ligands based on cavity-blocked cyclen
Authors of publication	Abu-Nawwas, Abd-Alhakeem H.; Mason, Pamela V.; Milway, Victoria A.; Muryn, Christopher A.; Pritchard, Robin J.; Tuna, Floriana; Collison, David; Winpenny, Richard E. P.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	2
Pages of publication	198 - 200
a	16.752 ± 0.003 Å
b	16.968 ± 0.003 Å
c	30.959 ± 0.006 Å
α	90.77 ± 0.03°
β	95.26 ± 0.03°
γ	116.69 ± 0.03°
Cell volume	7815 ± 3 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	0.0621
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6933 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179736 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32.	7003297.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003297.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003297.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003297.cif