Crystallography Open Database

Information card for entry 7015580

Preview

Coordinates	7015580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H76 Cl2 F12 Fe2 N2 Ni2 P6 S4
Calculated formula	C87.001 H76.002 Cl2.002 F12 Fe2 N2 Ni2 P6 S4
Title of publication	Multimetallic complexes of group 10 and 11 metals based on polydentate dithiocarbamate ligands.
Authors of publication	Oliver, Katie; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	22
Pages of publication	5852 - 5864
a	13.5263 ± 0.0002 Å
b	17.6262 ± 0.0003 Å
c	19.4449 ± 0.0004 Å
α	96.8975 ± 0.0015°
β	97.5228 ± 0.0015°
γ	107.783 ± 0.0015°
Cell volume	4313.12 ± 0.14 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015580.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015580.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015580.cif
21195	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015580, 7015581, 7015582, 7015583 via cif-deposit CGI script.	7015580.cif