Crystallography Open Database

Information card for entry 7027097

Preview

Coordinates	7027097.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis-[1,2-Bis-[ferrocen-1-ylcarbaldimino]-4-methylbenzene]copper(I) hexafluorophosphate dichloromethane solvate
Formula	C59.7 H55.4 Cl3.4 Cu F6 Fe4 N4 P
Calculated formula	C59.6 H51 Cl3.45 Cu F6 Fe4 N4 P
Title of publication	Co-ordination chemistry of bis(ferrocenylcarbaldimine) Schiff bases
Authors of publication	Li, Peiyi; Scowen, Ian J.; Davies, John E.; Halcrow, Malcolm A.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	22
Pages of publication	3791
a	17.091 ± 0.005 Å
b	20.019 ± 0.005 Å
c	17.797 ± 0.005 Å
α	90°
β	95.67 ± 0.04°
γ	90°
Cell volume	6059 ± 3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
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	0.1492
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179976 (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 7/02/70.	7027097.cif
94992	2014-01-28	cif/ Adding structures of 7027095, 7027096, 7027097 via cif-deposit CGI script.	7027097.cif