Crystallography Open Database

Information card for entry 4089714

Preview

Coordinates	4089714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cr2 N2 O10 S2
Calculated formula	C20 H20 Cr2 N2 O10 S2
SMILES	C(S[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(=C(N(CC)CC)N(CC)CC)S[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Syntheses and Properties of Dinuclear Group 6 Metal Complexes with the Zwitterionic Sulfur Donor Ligand Bis(N,N-diethylamino)carbeniumdithiocarboxylate
Authors of publication	Sugaya, Tomoaki; Ohba, Takeshi; Sai, Fumiya; Mashima, Shigeru; Fujihara, Takashi; Unoura, Kei; Nagasawa, Akira
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	12
Pages of publication	3441
a	8.9141 ± 0.0015 Å
b	30.893 ± 0.005 Å
c	10.0997 ± 0.0016 Å
α	90°
β	102.203 ± 0.004°
γ	90°
Cell volume	2718.4 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0862
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
243734 (current)	2019-11-26	cif/ Adding structures of 4089714, 4089715, 4089716 via cif-deposit CGI script.	4089714.cif