Crystallography Open Database

Information card for entry 7048660

Preview

Coordinates	7048660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 Au Cl N2
Calculated formula	C25 H34 Au Cl 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	9.5596 ± 0.0002 Å
b	18.9069 ± 0.0005 Å
c	12.5673 ± 0.0002 Å
α	90°
β	90.647 ± 0.001°
γ	90°
Cell volume	2271.3 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7048660.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.	7048660.cif