Crystallography Open Database

Information card for entry 7048663

Preview

Coordinates	7048663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28.63 Au0.37 B0.63 Cl0.37 F2.51 N2
Calculated formula	C23 H28.629 Au0.371 B0.629 Cl0.371 F2.516 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	10.6937 ± 0.0004 Å
b	13.6965 ± 0.0005 Å
c	14.728 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2157.16 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
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.	7048663.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.	7048663.cif