Crystallography Open Database

Information card for entry 7037120

Preview

Coordinates	7037120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H128 Np P4 S8
Calculated formula	C80 H96 Np P4 S8
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	22.8029 ± 0.0017 Å
b	20.2642 ± 0.0015 Å
c	23.9268 ± 0.0017 Å
α	90°
β	110.02 ± 0.001°
γ	90°
Cell volume	10388.1 ± 1.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.467
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7037120.cif
170203	2015-11-07	cif/ Adding structures of 7037115, 7037116, 7037117, 7037118, 7037119, 7037120, 7037121 via cif-deposit CGI script.	7037120.cif