Crystallography Open Database

Information card for entry 7037121

Preview

Coordinates	7037121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H104 P4 S8 U
Calculated formula	C87 H104 P4 S8 U
SMILES	[U]1234([S]=P5(S1)c1cc(ccc1c1ccc(cc51)C(C)(C)C)C(C)(C)C)([S]=P1(S2)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)([S]=P1(S3)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)[S]=P1(S4)c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C.c1(ccccc1)C
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	17.76 ± 0.003 Å
b	19.279 ± 0.004 Å
c	25.446 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8713 ± 3 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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.	7037121.cif