Crystallography Open Database

Information card for entry 7117647

Preview

Coordinates	7117647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H94 K Mn O10 Si6
Calculated formula	C40 H94 K Mn O10 Si6
SMILES	C([Mn]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]1[K]23451678[O]2CC[O]1CC[O]6CC[O]7CC[O]8CC2
Title of publication	Salts of the two-coordinate homoleptic manganese(I) dialkyl anion [Mn{C(SiMe3)3}2]^-^ with quenched orbital magnetism
Authors of publication	C.-Y. Lin; J. C. Fettinger; N. F. Chilton; A. Formanuik; F. Grandjean; G. J. Long; P. P. Power
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	13275
a	18.4983 ± 0.001 Å
b	14.4287 ± 0.0008 Å
c	21.2812 ± 0.0011 Å
α	90°
β	90.821 ± 0.001°
γ	90°
Cell volume	5679.5 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
153729 (current)	2015-08-27	cif/ Adding structures of 7117646, 7117647 via cif-deposit CGI script.	7117647.cif