Crystallography Open Database

Information card for entry 1552518

Preview

Coordinates	1552518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H55 Mn N2 P4 Si
Calculated formula	C26.988 H54.968 Mn N2 P3.996 Si
SMILES	c1([n+](ccn1C(C)C)C(C)C)[SiH](c1ccccc1)[MnH]12([P](C)(C)CC[P]1(C)C)[P](C)(C)CC[P]2(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	30.089 ± 0.003 Å
b	12.8432 ± 0.0011 Å
c	17.3407 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6701.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1543
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2289
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
220520 (current)	2019-10-30	cif/ Adding structures of 1552513, 1552514, 1552515, 1552516, 1552517, 1552518, 1552519, 1552520 via cif-deposit CGI script.	1552518.cif