Crystallography Open Database

Information card for entry 1567400

Preview

Coordinates	1567400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H75 Mn N7 P2 Si2
Calculated formula	C45 H75 Mn N7 P2 Si2
SMILES	[Mn]123([P](C)(C)CC[P]2(C)C)[Si]2(N(CC)c4[n]3c(N([Si]31[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C)CC)ccc4)[N](C(C)(C)C)=C(N2C(C)(C)C)c1ccccc1
Title of publication	A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical
Authors of publication	Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	29
Pages of publication	8634 - 8641
a	9.522 ± 0.0001 Å
b	18.7589 ± 0.0002 Å
c	13.6576 ± 0.0002 Å
α	90°
β	97.022 ± 0.001°
γ	90°
Cell volume	2421.25 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277001 (current)	2022-07-30	cif/ Adding structures of 1567398, 1567399, 1567400, 1567401 via cif-deposit CGI script.	1567400.cif