Crystallography Open Database

Information card for entry 7110456

Preview

Coordinates	7110456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H41 B2 Cu2 F8 N7 O4
Calculated formula	C33 H41 B2 Cu2 F8 N7 O4
Title of publication	Controlled synthesis of heterotetranuclear complexes
Authors of publication	Kruger, Paul E.; Launay, Frederic; McKee, Vickie
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	7
Pages of publication	639
a	8.059 ± 0.002 Å
b	21.76 ± 0.004 Å
c	21.431 ± 0.002 Å
α	90°
β	98.5 ± 0.01°
γ	90°
Cell volume	3716.9 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.1276
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
288183 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name.	7110456.cif
180218	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/04.	7110456.cif
95213	2014-01-28	cif/ Adding structures of 7110456, 7110457 via cif-deposit CGI script.	7110456.cif