Crystallography Open Database

Information card for entry 7706920

Preview

Coordinates	7706920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H70 K2 Mn2 O2
Calculated formula	C78 H70 K2 Mn2 O2
Title of publication	Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.
Authors of publication	Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	14
Pages of publication	4890 - 4903
a	17.649 ± 0.0009 Å
b	18.4355 ± 0.0009 Å
c	19.6687 ± 0.0011 Å
α	90°
β	93.54 ± 0.002°
γ	90°
Cell volume	6387.4 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.2107
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
264903 (current)	2021-05-05	cif/ Updating files of 7706910, 7706911, 7706912, 7706913, 7706914, 7706915, 7706916, 7706917, 7706918, 7706919, 7706920, 7706921, 7706922, 7706923, 7706924, 7706925, 7706926, 7706927 Original log message: Adding full bibliography for 7706910--7706927.cif.	7706920.cif
263230	2021-03-23	cif/ Adding structures of 7706910, 7706911, 7706912, 7706913, 7706914, 7706915, 7706916, 7706917, 7706918, 7706919, 7706920, 7706921, 7706922, 7706923, 7706924, 7706925, 7706926, 7706927 via cif-deposit CGI script.	7706920.cif