Crystallography Open Database

Information card for entry 7048658

Preview

Coordinates	7048658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Au Br0.31 Cl0.69 N2
Calculated formula	C10 H20 Au Br0.311 Cl0.689 N2
Title of publication	Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.
Authors of publication	Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1850 - 1858
a	9.6232 ± 0.0006 Å
b	7.6641 ± 0.0007 Å
c	9.7659 ± 0.0007 Å
α	90°
β	114.728 ± 0.004°
γ	90°
Cell volume	654.22 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
223995 (current)	2019-11-07	cif/ Updating files of 7048655, 7048656, 7048657, 7048658, 7048659, 7048660, 7048661, 7048662, 7048663, 7048664, 7048665, 7048666, 7048667, 7048668, 7048669 Original log message: Adding full bibliography for 7048655--7048669.cif.	7048658.cif
213191	2019-01-18	cif/ Adding structures of 7048655, 7048656, 7048657, 7048658, 7048659, 7048660, 7048661, 7048662, 7048663, 7048664, 7048665, 7048666, 7048667, 7048668, 7048669 via cif-deposit CGI script.	7048658.cif