Crystallography Open Database

Information card for entry 7715481

Preview

Coordinates	7715481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 B10 Mg N2
Calculated formula	C31 H52 B10 Mg N2
SMILES	[Mg]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671
Title of publication	From alkaline earth to coinage metal carboranyls.
Authors of publication	Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6653 - 6659
a	10.4591 ± 0.0002 Å
b	10.8125 ± 0.0003 Å
c	15.8411 ± 0.0005 Å
α	81.172 ± 0.002°
β	89.603 ± 0.002°
γ	88.36 ± 0.002°
Cell volume	1769.5 ± 0.08 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291648 (current)	2024-05-05	cif/ Updating files of 7715481, 7715482, 7715483, 7715484, 7715485, 7715486 Original log message: Adding full bibliography for 7715481--7715486.cif.	7715481.cif
290588	2024-03-22	cif/ Adding structures of 7715481, 7715482, 7715483, 7715484, 7715485, 7715486 via cif-deposit CGI script.	7715481.cif