Crystallography Open Database

Information card for entry 7703254

Preview

Coordinates	7703254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 Mo2 O8 P4
Calculated formula	C60 H56 Mo2 O8 P4
Title of publication	A dimolybdenum paddlewheel as a building block for heteromultimetallic structures.
Authors of publication	Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1513 - 1521
a	9.9882 ± 0.0004 Å
b	8.155 ± 0.0003 Å
c	34.8663 ± 0.0009 Å
α	90°
β	97.262 ± 0.003°
γ	90°
Cell volume	2817.21 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation probe	x-ray
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
248934 (current)	2020-03-05	cif/ Updating files of 7703254, 7703255, 7703256, 7703257, 7703258, 7703259 Original log message: Adding full bibliography for 7703254--7703259.cif.	7703254.cif
246725	2020-01-11	cif/ Adding structures of 7703254, 7703255, 7703256, 7703257, 7703258, 7703259 via cif-deposit CGI script.	7703254.cif