Crystallography Open Database

Information card for entry 1552516

Preview

Coordinates	1552516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H48 Mn N P4 Si
Calculated formula	C23 H48 Mn N P4 Si
SMILES	c1(ccccc1)[SiH2][Mn]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)C#[N]C(C)(C)C
Title of publication	Interconversion and reactivity of manganese silyl, silylene, and silene complexes
Authors of publication	Price, Jeffrey S.; Emslie, David J. H.
Journal of publication	Chemical Science
Year of publication	2019
a	12.3626 ± 0.0003 Å
b	14.0448 ± 0.0003 Å
c	17.4117 ± 0.0004 Å
α	89.648 ± 0.001°
β	74.86 ± 0.001°
γ	89.884 ± 0.001°
Cell volume	2918.21 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.252
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
279649 (current)	2022-11-30	cif/1 Fixing Z values and formulae	1552516.cif
220520	2019-10-30	cif/ Adding structures of 1552513, 1552514, 1552515, 1552516, 1552517, 1552518, 1552519, 1552520 via cif-deposit CGI script.	1552516.cif