Crystallography Open Database

Information card for entry 7048667

Preview

Coordinates	7048667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H58 Au B F4 N8 O
Calculated formula	C45 H58 Au B F4 N8 O
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	16.7838 ± 0.0002 Å
b	13.048 ± 0.0001 Å
c	20.4063 ± 0.0002 Å
α	90°
β	91.259 ± 0.001°
γ	90°
Cell volume	4467.8 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	7048667.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.	7048667.cif