Crystallography Open Database

Information card for entry 4088502

Preview

Coordinates	4088502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H166 F4 Mo4 N8 O5
Calculated formula	C132 H166 F4 Mo4 N8 O5
Title of publication	Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate
Authors of publication	Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1534
a	11.4489 ± 0.0008 Å
b	13.0431 ± 0.0008 Å
c	21.9598 ± 0.0015 Å
α	99.594 ± 0.001°
β	92.255 ± 0.001°
γ	107.624 ± 0.001°
Cell volume	3067.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.05
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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