Crystallography Open Database

Information card for entry 7027194

Preview

Coordinates	7027194.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[2,6-bis-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]dicopper(I) ditetrafluoroborate diacetone solvate
Formula	C64 H70 B2 Cu2 F8 N10 O2
Calculated formula	C64 H70 B2 Cu2 F8 N10 O2
Title of publication	Structural variations in dicopper(I) double helicate complexes
Authors of publication	Solanki, Nayan K.; Wheatley, Andrew E. H.; Radojevic, Sanja; McPartlin, Mary; Halcrow, Malcolm A.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	4
Pages of publication	521
a	20.43 ± 0.003 Å
b	21.288 ± 0.003 Å
c	14.4499 ± 0.0019 Å
α	90°
β	92.371 ± 0.012°
γ	90°
Cell volume	6279.1 ± 1.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
179977 (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 7/02/71.	7027194.cif
95133	2014-01-28	cif/ Adding structures of 7027194, 7027195 via cif-deposit CGI script.	7027194.cif