Crystallography Open Database

Information card for entry 4116795

Preview

Coordinates	4116795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H72 F6 Mo N8 P Ru
Calculated formula	C92.5 H85 Cl F6 Mo N8 P Ru
Title of publication	Unusual Molecular Orbital Ordering in Molybdenum-Ruthenium Heterometallic Porphyrin Dimers: Structural and Magnetic Evidence
Authors of publication	James P. Collman; Steven T. Harford; Pascale Maldivi; Jean-Claude Marchon
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	7999 - 8000
a	17.5677 ± 0.0003 Å
b	42.8491 ± 0.0003 Å
c	21.0196 ± 0.0003 Å
α	90°
β	90.613 ± 0.001°
γ	90°
Cell volume	15821.8 ± 0.4 Å³
Cell temperature	169 K
Ambient diffraction temperature	273.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.093
Goodness-of-fit parameter for significantly intense reflections	2.15
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116795.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116795.cif
72963	2013-02-04	cif/ Adding structures of 4116795 via cif-deposit CGI script.	4116795.cif