Crystallography Open Database

Information card for entry 1533007

Preview

Coordinates	1533007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H88 Mo4 O8 P2 Sm2
Calculated formula	C75 H88 Mo4 O8 P2 Sm2
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	9.5023 ± 0.0003 Å
b	12.6103 ± 0.0004 Å
c	15.1418 ± 0.0005 Å
α	97.784 ± 0.003°
β	90.79 ± 0.003°
γ	100.069 ± 0.003°
Cell volume	1768.68 ± 0.1 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	0.0715
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	1533007.cif
159040	2015-09-30	cif/ Adding structures of 1533007, 1533008, 1533009, 1533010, 1533011, 1533012 via cif-deposit CGI script.	1533007.cif