Crystallography Open Database

Information card for entry 4104984

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Coordinates	4104984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H102 Mo2 N4
Calculated formula	C78 H102 Mo2 N4
Title of publication	Journey from Mo-Mo Quadruple Bonds to Quintuple Bonds
Authors of publication	Yi-Chou Tsai; Hong-Zhang Chen; Chie-Chieh Chang; Jen-Shiang K. Yu; Gene-Hsiang Lee; Yu Wang; Ting-Shen Kuo
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12534 - 12535
a	24.1131 ± 0.0008 Å
b	15.1598 ± 0.0006 Å
c	20.9379 ± 0.0007 Å
α	90°
β	111.258 ± 0.002°
γ	90°
Cell volume	7133.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1712
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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