Crystallography Open Database

Information card for entry 7037119

Preview

Coordinates	7037119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 Np O P4 S8
Calculated formula	C52 H48 Np O P4 S8
SMILES	[Np]1234([S]=P(S1)(c1ccccc1)c1ccccc1)(SP(=[S]2)(c1ccccc1)c1ccccc1)([S]=P(S3)(c1ccccc1)c1ccccc1)[S]=P(S4)(c1ccccc1)c1ccccc1.C1CCCO1
Title of publication	Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.
Authors of publication	Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	43
Pages of publication	18923 - 18936
a	10.9835 ± 0.0009 Å
b	13.3013 ± 0.001 Å
c	18.4912 ± 0.0014 Å
α	94.945 ± 0.001°
β	95.113 ± 0.001°
γ	96.364 ± 0.001°
Cell volume	2661.5 ± 0.4 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
170203 (current)	2015-11-07	cif/ Adding structures of 7037115, 7037116, 7037117, 7037118, 7037119, 7037120, 7037121 via cif-deposit CGI script.	7037119.cif