Crystallography Open Database

Information card for entry 4088494

Preview

Coordinates	4088494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H78 Cl2 F2 Mo2 N4 O2
Calculated formula	C64 H78 Cl2 F2 Mo2 N4 O2
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	21.1862 ± 0.0006 Å
b	21.1862 ± 0.0006 Å
c	54.0853 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	24276.5 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237616 (current)	2019-11-24	cif/ Adding structures of 4088488, 4088489, 4088490, 4088491, 4088492, 4088493, 4088494, 4088495, 4088496, 4088497, 4088498, 4088499, 4088500, 4088501, 4088502 via cif-deposit CGI script.	4088494.cif