Crystallography Open Database

Information card for entry 4113707

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Coordinates	4113707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H96 Cl2 Mo4 N12 O16
Calculated formula	C96 H92 Cl2 Mo4 N12 O16
Title of publication	Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry
Authors of publication	F. Albert Cotton; James P. Donahue; Carlos A. Murillo
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	5436 - 5450
a	13.6105 ± 0.0007 Å
b	17.3336 ± 0.0009 Å
c	22.7936 ± 0.0011 Å
α	71.867 ± 0.001°
β	74.644 ± 0.001°
γ	71.635 ± 0.001°
Cell volume	4766.5 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 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	0.0505
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for all reflections	0.1128
Weighted residual factors for significantly intense reflections	0.0945
Goodness-of-fit parameter for all reflections	1.036
Goodness-of-fit parameter for significantly intense reflections	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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