Crystallography Open Database

Information card for entry 7037776

Preview

Coordinates	7037776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H44 B Cl F7 N P2 Ru
Calculated formula	C55.5 H44 B Cl F7 N P2 Ru
Title of publication	Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.
Authors of publication	Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1717 - 1726
a	10.3433 ± 0.0002 Å
b	23.9394 ± 0.0005 Å
c	19.3083 ± 0.0004 Å
α	90°
β	98.805 ± 0.002°
γ	90°
Cell volume	4724.63 ± 0.17 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
176035 (current)	2016-02-05	cif/ Updating files of 7037771, 7037772, 7037773, 7037774, 7037775, 7037776, 7037777, 7037778 Original log message: Adding full bibliography for 7037771--7037778.cif.	7037776.cif
171742	2015-12-25	cif/ Adding structures of 7037771, 7037772, 7037773, 7037774, 7037775, 7037776, 7037777, 7037778 via cif-deposit CGI script.	7037776.cif