Crystallography Open Database

Information card for entry 4116903

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Coordinates	4116903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H98 Mo4 N12 O3
Calculated formula	C94 H90 Mo4 N12 O3
Title of publication	Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets
Authors of publication	F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	12531 - 12538
a	28.574 ± 0.005 Å
b	35.214 ± 0.006 Å
c	19.572 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	19693 ± 9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections	0.1906
Weighted residual factors for significantly intense reflections	0.1748
Goodness-of-fit parameter for all reflections	1.192
Goodness-of-fit parameter for significantly intense reflections	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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