Crystallography Open Database

Information card for entry 7046033

Preview

Coordinates	7046033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H55 B10 Cl2 Fe Li N2 O6
Calculated formula	C21 H55 B10 Cl2 Fe Li N2 O6
Title of publication	Three new types of transition metal carboranylamidinate complexes.
Authors of publication	Rädisch, Tim; Harmgarth, Nicole; Liebing, Phil; Beltrán-Leiva, Maria J; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Engelhardt, Felix; Hilfert, Liane; Oehler, Florian; Busse, Sabine; Edelmann, Frank T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	19
Pages of publication	6666 - 6671
a	14.304 ± 0.005 Å
b	15.457 ± 0.004 Å
c	18.237 ± 0.005 Å
α	90°
β	110.13 ± 0.02°
γ	90°
Cell volume	3786 ± 2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229613 (current)	2019-11-17	cif/ Updating files of 7046033, 7046034, 7046035 Original log message: Adding full bibliography for 7046033--7046035.cif.	7046033.cif
207333	2018-04-14	cif/ Adding structures of 7046033, 7046034, 7046035 via cif-deposit CGI script.	7046033.cif