Crystallography Open Database

Information card for entry 7002727

Preview

Coordinates	7002727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H278 Fe14 N12 O70
Calculated formula	C146 H208 Fe14 N12 O70
Title of publication	Access to new magnetic cores in Fe(III) and Fe(III)/Cu(II) spin clusters
Authors of publication	Ferguson, Alan; McGregor, Julie; Brechin, Euan K.; Thomas, Lynne H.; Murrie, Mark
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	43
Pages of publication	9395 - 9397
a	14.404 ± 0.002 Å
b	28.015 ± 0.003 Å
c	28.977 ± 0.005 Å
α	114.028 ± 0.002°
β	97.097 ± 0.002°
γ	102.894 ± 0.002°
Cell volume	10104 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1715
Residual factor for significantly intense reflections	0.1163
Weighted residual factors for significantly intense reflections	0.3062
Weighted residual factors for all reflections included in the refinement	0.3579
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
179731 (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 7/00/27.	7002727.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002727.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002727.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002727.cif