Crystallography Open Database

Information card for entry 7715483

Preview

Coordinates	7715483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H60 B10 Ca N2 O
Calculated formula	C35 H60 B10 Ca N2 O
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	17.214 ± 0.0002 Å
b	13.088 ± 0.0002 Å
c	18.465 ± 0.0003 Å
α	90°
β	103.181 ± 0.001°
γ	90°
Cell volume	4050.51 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
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.	7715483.cif
290588	2024-03-22	cif/ Adding structures of 7715481, 7715482, 7715483, 7715484, 7715485, 7715486 via cif-deposit CGI script.	7715483.cif