Crystallography Open Database

Information card for entry 7700445

Preview

Coordinates	7700445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H30 Au B Cl2 N6 O2 Se W
Calculated formula	C27.5 H30 Au B Cl2 N6 O2 Se W
Title of publication	Auriferous alkynylselenolatoalkylidynes.
Authors of publication	Frogley, Benjamin J.; Hill, Anthony F.; Onn, Chee S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11715 - 11723
a	9.9498 ± 0.0004 Å
b	17.1859 ± 0.001 Å
c	20.7731 ± 0.0008 Å
α	105.918 ± 0.004°
β	90.589 ± 0.003°
γ	91.467 ± 0.004°
Cell volume	3414.2 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0856
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
224358 (current)	2019-11-08	cif/ Updating files of 7700440, 7700441, 7700442, 7700443, 7700444, 7700445, 7700446, 7700447 Original log message: Adding full bibliography for 7700440--7700447.cif.	7700445.cif
216763	2019-07-05	cif/ Adding structures of 7700440, 7700441, 7700442, 7700443, 7700444, 7700445, 7700446, 7700447 via cif-deposit CGI script.	7700445.cif