Crystallography Open Database

Information card for entry 7703257

Preview

Coordinates	7703257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H160 Cl4 Ir4 Mo2 O15 P4
Calculated formula	C108 H136 Cl4 Ir4 Mo2 O12 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	10.8365 ± 0.0003 Å
b	16.7623 ± 0.0005 Å
c	20.7559 ± 0.0006 Å
α	105.261 ± 0.002°
β	102.501 ± 0.002°
γ	104.496 ± 0.002°
Cell volume	3356.71 ± 0.18 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7703257.cif
246725	2020-01-11	cif/ Adding structures of 7703254, 7703255, 7703256, 7703257, 7703258, 7703259 via cif-deposit CGI script.	7703257.cif