Crystallography Open Database

Information card for entry 7046035

Preview

Coordinates	7046035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H90 B20 Cl6 Mn4 N4 O5
Calculated formula	C38 H90 B20 Cl6 Mn4 N4 O5
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	10.7605 ± 0.0004 Å
b	19.0431 ± 0.0007 Å
c	16.0549 ± 0.0006 Å
α	90°
β	92.892 ± 0.003°
γ	90°
Cell volume	3285.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	7046035.cif
207333	2018-04-14	cif/ Adding structures of 7046033, 7046034, 7046035 via cif-deposit CGI script.	7046035.cif