Crystallography Open Database

Information card for entry 7700010

Preview

Coordinates	7700010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H77 Al N6 P2 S2
Calculated formula	C51 H77 Al N6 P2 S2
Title of publication	7-Metalla-1,4-diphosphanorbornadienes: cycloaddition of monovalent group 13 NacNac complexes to a stable 1,4-diphosphinine.
Authors of publication	Koner, Abhishek; Gabidullin, Bulat M.; Kelemen, Zsolt; Nyulászi, László; Nikonov, Georgii I.; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	23
Pages of publication	8248 - 8253
a	12.3978 ± 0.0005 Å
b	20.1923 ± 0.0009 Å
c	21.8157 ± 0.0011 Å
α	90°
β	100.88 ± 0.002°
γ	90°
Cell volume	5363.2 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
224434 (current)	2019-11-08	cif/ Updating files of 7700010, 7700011 Original log message: Adding full bibliography for 7700010--7700011.cif.	7700010.cif
215230	2019-05-17	cif/ Adding structures of 7700010, 7700011 via cif-deposit CGI script.	7700010.cif