Crystallography Open Database

Information card for entry 7023445

Preview

Coordinates	7023445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H56 B Cl2 Cu F4 Fe N4 P2
Calculated formula	C45 H56 B Cl2 Cu F4 Fe N4 P2
Title of publication	Variable coordination of redox-active TCNB in discrete and polymeric ferrocenylcopper(i) complexes: structures and spectroelectrochemical behaviour.
Authors of publication	Jana, Rajkumar; Mobin, Shaik M.; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	45
Pages of publication	16142 - 16150
a	11.6575 ± 0.0005 Å
b	11.7073 ± 0.0004 Å
c	19.9358 ± 0.0007 Å
α	81.307 ± 0.003°
β	76.495 ± 0.003°
γ	62.819 ± 0.004°
Cell volume	2350.3 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0776
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
179939 (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 7/02/34.	7023445.cif
90537	2013-11-18	cif/ Adding structures of 7023444, 7023445 via cif-deposit CGI script.	7023445.cif