Crystallography Open Database

Information card for entry 7711980

7711979 << 7711980 >> 7711981

Preview

Coordinates	7711980.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2
Formula	C36 H28 Au B N3 P
Calculated formula	C36 H28 Au B N3 P
SMILES	[Au]([N]([B]1(c2c(c3c1cccc3)cccc2)c1ccccc1)=N#N)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Probing borafluorene B-C bond insertion with gold acetylide and azide.
Authors of publication	Li, Yijie; Shen, Yu-Hsuan; Esper, Alec M.; Tidwell, John R.; Veige, Adam S.; Martin, Caleb D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	668 - 674
a	10.2446 ± 0.0009 Å
b	12.5326 ± 0.0009 Å
c	12.8125 ± 0.0011 Å
α	75.113 ± 0.003°
β	80.036 ± 0.003°
γ	67.918 ± 0.002°
Cell volume	1467.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
283340 (current)	2023-05-05	cif/ Updating files of 7711980, 7711981, 7711982 Original log message: Adding full bibliography for 7711980--7711982.cif.	7711980.cif
279957	2022-12-21	cif/ Adding structures of 7711980, 7711981, 7711982 via cif-deposit CGI script.	7711980.cif