Crystallography Open Database

Information card for entry 7715484

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Coordinates	7715484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 B10 Ca N2
Calculated formula	C31 H52 B10 Ca N2
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	21.5052 ± 0.0008 Å
b	11.9353 ± 0.0003 Å
c	13.8858 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3564.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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

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