Crystallography Open Database

Information card for entry 4114096

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Coordinates	4114096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C240.72 H288.38 Cl38 N21.41 O32 Ru8
Calculated formula	C240.726 H286.382 Cl38.002 N21.414 O32 Ru8
Title of publication	Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges
Authors of publication	Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10327 - 10334
a	19.208 ± 0.0011 Å
b	20.6163 ± 0.0012 Å
c	22.5781 ± 0.0013 Å
α	89.698 ± 0.001°
β	66.277 ± 0.001°
γ	70.313 ± 0.001°
Cell volume	7618.4 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0963
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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