Crystallography Open Database

Information card for entry 7712129

Preview

Coordinates	7712129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H166 B4 F48 Mg4 N6 O12
Calculated formula	C126 H166 B4 F48 Mg4 N6 O12
Title of publication	Reactivity of a quasi-four-coordinate butylmagnesium cation.
Authors of publication	Ankur, ?; Sharma, Deepti; Andrews, Alex P.; Venugopal, Ajay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1533 - 1537
a	13.0441 ± 0.0013 Å
b	16.924 ± 0.002 Å
c	19.3835 ± 0.0017 Å
α	104.003 ± 0.004°
β	102.788 ± 0.003°
γ	112.038 ± 0.003°
Cell volume	3609.3 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1367
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
283307 (current)	2023-05-05	cif/ Updating files of 7712126, 7712127, 7712128, 7712129, 7712130 Original log message: Adding full bibliography for 7712126--7712130.cif.	7712129.cif
280353	2023-01-17	cif/ Adding structures of 7712126, 7712127, 7712128, 7712129, 7712130 via cif-deposit CGI script.	7712129.cif