Crystallography Open Database

Information card for entry 7020271

7020270 << 7020271 >> 7020272

Preview

Coordinates	7020271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H44 Fe2 N20 Ni2 O8
Calculated formula	C64 H44 Fe2 N20 Ni2 O8
Title of publication	A rectangular Ni-Fe cluster with unusual cyanide bridges.
Authors of publication	Krüger, Christoph; Sato, Hiroki; Matsumoto, Takuto; Shiga, Takuya; Newton, Graham N.; Renz, Franz; Oshio, Hiroki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	37
Pages of publication	11270 - 11272
a	13.319 ± 0.002 Å
b	20.39 ± 0.003 Å
c	11.9344 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3241.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179906 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/02.	7020271.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020271.cif
71552	2013-01-20	cif/ Adding structures of 7020269, 7020270, 7020271 via cif-deposit CGI script.	7020271.cif