Crystallography Open Database

Information card for entry 7048668

Preview

Coordinates	7048668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C191 H190 Au2 F12 N8 O P10
Calculated formula	C191 H190 Au2 F12 N8 O P10
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	13.3262 ± 0.0002 Å
b	14.2393 ± 0.0002 Å
c	23.9673 ± 0.0004 Å
α	73.606 ± 0.001°
β	88.232 ± 0.001°
γ	89.787 ± 0.001°
Cell volume	4360.89 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7048668.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.	7048668.cif