Crystallography Open Database

Information card for entry 1533012

Preview

Coordinates	1533012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H106 Mo2 O4 P6 Yb2
Calculated formula	C78 H106 Mo2 O4 P6 Yb2
Title of publication	The approach to 4d/4f-polyphosphides
Authors of publication	Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	7179
a	11.1924 ± 0.0003 Å
b	12.6285 ± 0.0003 Å
c	14.6371 ± 0.0004 Å
α	99.581 ± 0.002°
β	110.455 ± 0.002°
γ	94.847 ± 0.002°
Cell volume	1888.44 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0447
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
170975 (current)	2015-12-09	cif/ Updating files of 1533007, 1533008, 1533009, 1533010, 1533011, 1533012 Original log message: Adding full bibliography for 1533007--1533012.cif.	1533012.cif
159040	2015-09-30	cif/ Adding structures of 1533007, 1533008, 1533009, 1533010, 1533011, 1533012 via cif-deposit CGI script.	1533012.cif