Crystallography Open Database

Information card for entry 7118778

Preview

Coordinates	7118778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H66 B N2 O3 P2 Ru
Calculated formula	C63 H66 B N2 O3 P2 Ru
Title of publication	Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.
Authors of publication	Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	22
Pages of publication	4148 - 4151
a	12.4687 ± 0.0013 Å
b	15.731 ± 0.0016 Å
c	17.5343 ± 0.0019 Å
α	67.02 ± 0.004°
β	80.866 ± 0.005°
γ	70.636 ± 0.004°
Cell volume	2985.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
181531 (current)	2016-04-05	cif/ Updating files of 7118778, 7118779, 7118780, 7118781, 7118782 Original log message: Adding full bibliography for 7118778--7118782.cif.	7118778.cif
176733	2016-02-19	cif/ Adding structures of 7118778, 7118779, 7118780, 7118781, 7118782 via cif-deposit CGI script.	7118778.cif