Crystallography Open Database

Information card for entry 7034822

Preview

Coordinates	7034822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H62 B2 Cu F8 N4 O5
Calculated formula	C30 H62 B2 Cu F8 N4 O5
Title of publication	Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions.
Authors of publication	Bent, S. J.; Mahon, M. F.; Webster, R. L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	22
Pages of publication	10253 - 10258
a	21.1798 ± 0.0002 Å
b	12.69988 ± 0.00012 Å
c	14.89542 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	4006.58 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7034822.cif
138596	2015-06-07	cif/ Updating files of 7034822, 7034823 Original log message: Adding full bibliography for 7034822--7034823.cif.	7034822.cif
135862	2015-05-09	cif/ Adding structures of 7034822, 7034823 via cif-deposit CGI script.	7034822.cif