Crystallography Open Database

Information card for entry 7039940

Preview

Coordinates	7039940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H42 P4 S6 Zn
Calculated formula	C50 H42 P4 S6 Zn
SMILES	c1ccccc1P(=[S]1)(c2ccccc2)C(P(=[S]2)(c3ccccc3)c3ccccc3)S[Zn]1234SC(P(c1ccccc1)(c1ccccc1)=[S]3)P(=[S]4)(c1ccccc1)c1ccccc1
Title of publication	Synthesis of a labile sulfur-centred ligand, [S(H)C(PPh2S)2](-): structural diversity in lithium(i), zinc(ii) and nickel(ii) complexes.
Authors of publication	Thirumoorthi, Ramalingam; Chivers, Tristram; Häggman, Susanna; Mansikkamäki, Akseli; Morgan, Ian S.; Tuononen, Heikki M.; Lahtinen, Manu; Konu, Jari
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12691 - 12701
a	10.72456 ± 0.00017 Å
b	18.326 ± 0.0003 Å
c	11.6699 ± 0.0002 Å
α	90°
β	93.7455 ± 0.0016°
γ	90°
Cell volume	2288.68 ± 0.07 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 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	0.0654
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
186433 (current)	2016-09-10	cif/ Updating files of 7039937, 7039938, 7039939, 7039940 Original log message: Adding full bibliography for 7039937--7039940.cif.	7039940.cif
184543	2016-07-20	cif/ Adding structures of 7039937, 7039938, 7039939, 7039940 via cif-deposit CGI script.	7039940.cif