Crystallography Open Database

Information card for entry 7018473

Preview

Coordinates	7018473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H118 Cl16 N6 Ni8 O14
Calculated formula	C52 H118 Cl16 N6 Ni8 O14
Title of publication	Synthesis, magnetic properties, and STM spectroscopy of an unprecedented octanuclear chloro-bridged nickel(ii) double cubane.
Authors of publication	Scheurer, Andreas; Gieb, Klaus; Alam, Mohammad S.; Heinemann, Frank W.; Saalfrank, Rolf W.; Kroener, Wolfgang; Petukhov, Konstantin; Stocker, Michael; Müller, Paul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	12
Pages of publication	3553 - 3561
a	18.2919 ± 0.0014 Å
b	19.8972 ± 0.0005 Å
c	23.2951 ± 0.0011 Å
α	90°
β	98.408 ± 0.006°
γ	90°
Cell volume	8387.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7018473.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018473.cif
52110	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018473 via cif-deposit CGI script.	7018473.cif