Crystallography Open Database

Information card for entry 4113710

Preview

Coordinates	4113710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H102 Cl4 Mo4 N12 O16
Calculated formula	C100 H102 Cl4 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	11.6516 ± 0.0007 Å
b	13.8593 ± 0.0008 Å
c	17.2026 ± 0.001 Å
α	72.049 ± 0.001°
β	74.564 ± 0.001°
γ	71.126 ± 0.001°
Cell volume	2457.5 ± 0.3 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	0.0589
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections	0.1122
Weighted residual factors for significantly intense reflections	0.0979
Goodness-of-fit parameter for all reflections	1.032
Goodness-of-fit parameter for significantly intense reflections	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4113710.html