Crystallography Open Database

Information card for entry 7712127

Preview

Coordinates	7712127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H96 B2 F48 Mg O9
Calculated formula	C100 H96 B2 F48 Mg O9
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	29.124 ± 0.002 Å
b	17.614 ± 0.002 Å
c	24.717 ± 0.003 Å
α	90°
β	123.418 ± 0.005°
γ	90°
Cell volume	10583 ± 2 Å³
Cell temperature	142 ± 2 K
Ambient diffraction temperature	142 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1287
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.2166
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7712127.cif
280353	2023-01-17	cif/ Adding structures of 7712126, 7712127, 7712128, 7712129, 7712130 via cif-deposit CGI script.	7712127.cif