Crystallography Open Database

Information card for entry 4104664

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Coordinates	4104664.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holjs14
Formula	C72.5 H112 Fe2 N6
Calculated formula	C72.5 H112 Fe2 N6
Title of publication	Cobalt-Dinitrogen Complexes with Weakened N-N Bonds
Authors of publication	Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9471 - 9472
a	13.085 ± 0.001 Å
b	13.9206 ± 0.0011 Å
c	22.1213 ± 0.0018 Å
α	75.075 ± 0.001°
β	73.717 ± 0.001°
γ	68.526 ± 0.001°
Cell volume	3544.8 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1103
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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